data_global


#==============================================================================
#                          1. SUBMISSION DETAILS
#==============================================================================


_publ_contact_author_name   'Dr Shawn K. Collins'

_publ_contact_author_address
;
      Université de Montréal
      Département de Chimie
      C.P. 6128, Succ. Centre-ville
      Montréal, Québec
      Canada, H3C 3J7
;


_publ_contact_author_phone        '+1 514 343-6735'
_publ_contact_author_fax          '+1 514 343-7586'
_publ_contact_author_email        'shawn.collins@umontreal.ca'

_publ_requested_journal           'Acta Crystallographica C'
_publ_requested_category          'FO'



_publ_requested_coeditor_name
;
     Dr Anthony Linden
     Institute of Organic Chemistry
     University of Zurich
     Winterthurerstrasse 190
     CH-8057 Zurich, Switzerland
;


_publ_contact_letter
;

Please consider this CIF submission for publication in Acta Crystallographica
Section C.  All authors have seen and approved of this submission.

The CIF has passed the Chester CHECKCIF routines and gives a satisfactory
PRINTCIF file.

When I hear back from you by e-mail with your reference number I will fax and
air-mail a formal Letter of Submission and a signed Copyright Transfer Form.

I will then ftp the Artwork and Structure Factor Listing to you (as Postscript
and ASCII files respectively).


                 
;

#==============================================================================
#                   2. PROCESSING SUMMARY (IUCr Office Use Only)
#==============================================================================


_journal_date_recd_electronic     ?

_journal_date_to_coeditor         ?
_journal_date_from_coeditor       ?
_journal_date_accepted            ?

_journal_date_printers_first      ?
_journal_date_printers_final      ?
_journal_date_proofs_out          ?
_journal_date_proofs_in           ?

_journal_coeditor_name            ?
_journal_coeditor_code            ?
_journal_coeditor_notes
; ?
;

_journal_techeditor_code          ?
_journal_techeditor_notes
; ?
;

_journal_coden_ASTM               ?
_journal_name_full                ?
_journal_year                     ?
_journal_volume                   ?
_journal_issue                    ?
_journal_page_first               ?
_journal_page_last                ?

_journal_suppl_publ_number        ?
_journal_suppl_publ_pages         ?

#==============================================================================
#                        3. TITLE AND AUTHOR LIST
#==============================================================================


_publ_section_title
;
Structure of Shaw10
;

# The loop structure below should contain the names and addresses of all
# authors, in the required order of publication. Repeat as necessary.

loop_
    _publ_author_name
    _publ_author_address
     'Collins, Shawn K.'
;
      Département de Chimie
      Université de Montréal
      C.P. 6128, Succ. Centre-ville,
      Montréal, Québec
      Canada H3C 3J7

;
      'Fournier, Pierre-André '
;
      Département de Chimie
      Université de Montréal
      C.P. 6128, Succ. Centre-ville,
      Montréal, Québec
      Canada H3C 3J7

;
      'Bélanger-Gariépy, Francine'
;
       Département de Chimie
       Université de Montréal
       C.P. 6128, Succ. Centre-ville,
       Montréal, Québec
       Canada H3C 3J7

;
#==============================================================================
#                              4. TEXT
#==============================================================================


_publ_section_abstract
;
 Here should be written a short abstract
;


_publ_section_comment
;
 To finish the structure, it was decided to use the PLATON (Spek, 2000)
 facility SQUEEZE to handle the disordered solvent (4 CH2Cl2 by cell).
 PLATON identified a remarkably large potential solvent volume of
 619Å³, or 12.6% of the cell volume.
 The use of PLATON/SQUEEZE resulted in a 5% improvement in R1
 while correcting for 161 electrons/cell.
 The reported structure is based on the PLATON/SQUEEZE corrected data.
 The actual solvent content is unknown, so several quantities reported in
 table 1 [empirical formula, density, absorption coefficient,
 F(000)] are incorrect and should be indicated as such in future publications.
;





_publ_section_exptl_prep
;
 Small details about the preparation of the compound.
;




_publ_section_exptl_refinement
;

All non-H atoms were refined by full-matrix least-squares
with anisotropic displacement parameters. The H atoms were 
generated geometrically (C-H 0.95 to 1.00Å)
and were included in the refinement in the riding model approximation; 
their temperature factors were set to 1.5 times those of the 
equivalent isotropic temperature factors of the parent site (methyl) 
and 1.2 times for others. 
A final verification of possible voids was performed using the VOID routine 
of the PLATON program (Spek, 2000). 
  

;


_publ_section_references
;

 
 Bruker (1997). SHELXTL (1997). Release 5.10; The Complete Software Package
 for Single Crystal Structure Determination.  Bruker AXS Inc.,
 Madison, USA.

 Bruker (2004). SAINT Release 7.12A. Integration Software for Single Crystal
 Data. Bruker AXS Inc., Madison, USA.

 Bruker (2004). APEX2 Release 1.1.2.2; Bruker Molecular Analysis Research Tool,
 Bruker AXS Inc., Madison, USA.

 Flack, H. D. (1983). Acta Cryst. A39, 876-881.

 Flack, H. D. and Schwarzenbach, D. (1988). Acta Cryst. A44, 499-506.

 Sheldrick, G. M. (1986). SHELXS86. Program for Crystal Structure
 solution. University of Göttingen, Germany.

 Sheldrick, G. M. (1996). SADABS, Bruker Area Detector Absorption Corrections.
 Bruker AXS Inc., Madison, USA.

 Sheldrick, G. M. (1997a). SHELXS97. Program for Crystal Structure
 solution. University of Göttingen, Germany.

 Sheldrick, G. M. (1997b). SHELXL97. Program for crystal structure
 refinement. University of Göttingen, Germany.

 Spek, A. L. (2000). PLATON,  2000 version; Molecular Geometry Program,
 University of Utrecht, Utrecht, Holland.


;


_publ_section_figure_captions
;
Fig 1 Ortep view of the title compound.
      Thermal ellipsoids are shown at 30% probability levels.
;



_publ_section_table_legends
;
Table 1.  Selected geometric parameters (Å, °) for the title compound.
;




_publ_section_acknowledgements
;
We are grateful to the Natural Sciences and Engineering Research
Council of Canada and the Ministère de l'Education du Québec
for financial support.
;

# ========================================================
#                     STRUCTURAL DATA                     
# ========================================================


 
data_shaw10 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety
'C46 H73 Cl2 N2 P Ru'
_chemical_formula_sum 
 'C46 H73 Cl2 N2 P Ru'
_chemical_formula_weight          857.00 
_chemical_compound_source         'Synthesized by the authors. See text'

loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0311   0.0180 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'P'  'P'   0.2955   0.4335 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.3639   0.7018 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ru'  'Ru'   0.0552   3.2960 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            Monoclinic
_symmetry_space_group_name_H-M    P21
_symmetry_space_group_name_hall   'P 2yb'
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z' 
 
_cell_length_a                    19.9387(11) 
_cell_length_b                    11.3926(7) 
_cell_length_c                    21.9592(12) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  100.8160(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      4899.5(5) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     100(2)
_cell_measurement_reflns_used     2446
_cell_measurement_theta_min       42.24
_cell_measurement_theta_max       66.13
 
_exptl_crystal_description        platelet
_exptl_crystal_colour             Colorless
_exptl_crystal_size_max           0.15
_exptl_crystal_size_mid           0.08
_exptl_crystal_size_min           0.04
_exptl_crystal_density_meas          ?
_exptl_crystal_density_diffrn     1.162 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1824 
_exptl_absorpt_coefficient_mu     4.114 
_exptl_absorpt_correction_Type    multi-scan
_exptl_absorpt_correction_T_min   0.6800
_exptl_absorpt_correction_T_max   0.8900
_exptl_absorpt_process_details    'Sadabs (Sheldrick,1996)'
 
 
_diffrn_ambient_temperature       100(2)
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_radiation_source          'Micro source'
_diffrn_radiation_monochromator   'Helios optics'
_diffrn_measurement_device_type   'Bruker Microstar'
_diffrn_measurement_method        'ω'
_diffrn_detector_area_resol_mean   5.5
_diffrn_standards_number          5
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%           0.00
_diffrn_reflns_number             19237
_diffrn_reflns_av_R_equivalents   0.036
_diffrn_reflns_av_sigmaI/netI     0.0735 
_diffrn_reflns_limit_h_min        -23
_diffrn_reflns_limit_h_max        23
_diffrn_reflns_limit_k_min        -13
_diffrn_reflns_limit_k_max        13
_diffrn_reflns_limit_l_min        -25
_diffrn_reflns_limit_l_max        25
_diffrn_reflns_theta_min          2.05 
_diffrn_reflns_theta_max          66.64 
_reflns_number_total              15855
_reflns_number_gt                 13514
_reflns_threshold_expression      'I>2σ(I)'
 
_computing_data_collection        'APEX2 (Bruker, 2004)'
_computing_cell_refinement        'APEX2 (Bruker, 2004)'
_computing_data_reduction         'SAINT (Bruker, 2004)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement   'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Bruker, 1997)'
_computing_publication_material   'UdMX (local program)'
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0828P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details
     'Flack H D (1983), 6698 Friedel Pairs'
_chemical_absolute_configuration   rmad
_refine_ls_abs_structure_Flack    0.036(8) 
_refine_ls_number_reflns          15855 
_refine_ls_number_parameters      955 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0654 
_refine_ls_R_factor_gt            0.0543 
_refine_ls_wR_factor_ref          0.1287 
_refine_ls_wR_factor_gt           0.1237 
_refine_ls_goodness_of_fit_ref    0.991 
_refine_ls_restrained_S_all       0.991 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Ru1 Ru 0.32749(2) 0.76212(4) 0.587043(17) 0.01139(11) Uani 1 1 d . . . 
Cl11 Cl 0.40213(8) 0.66338(14) 0.53256(6) 0.0184(3) Uani 1 1 d . . . 
Cl12 Cl 0.25495(7) 0.88446(15) 0.63683(6) 0.0172(3) Uani 1 1 d . . . 
C11 C 0.2885(3) 0.6319(6) 0.6157(3) 0.0219(16) Uani 1 1 d . . . 
H11 H 0.2693 0.6494 0.6511 0.026 Uiso 1 1 calc R . . 
C12 C 0.2794(3) 0.5080(6) 0.5980(3) 0.0168(14) Uani 1 1 d . . . 
C13 C 0.2916(3) 0.4602(7) 0.5434(3) 0.0272(16) Uani 1 1 d . . . 
H13 H 0.3067 0.5091 0.5136 0.033 Uiso 1 1 calc R . . 
C14 C 0.2822(4) 0.3411(6) 0.5318(4) 0.041(2) Uani 1 1 d . . . 
H14 H 0.2897 0.3094 0.4936 0.049 Uiso 1 1 calc R . . 
C15 C 0.2623(4) 0.2690(8) 0.5748(4) 0.046(2) Uani 1 1 d . . . 
H15 H 0.2576 0.1871 0.5670 0.055 Uiso 1 1 calc R . . 
C16 C 0.2489(4) 0.3140(7) 0.6290(4) 0.038(2) Uani 1 1 d . . . 
H16 H 0.2347 0.2636 0.6586 0.045 Uiso 1 1 calc R . . 
C17 C 0.2562(3) 0.4332(6) 0.6406(3) 0.0245(16) Uani 1 1 d . . . 
H17 H 0.2455 0.4647 0.6777 0.029 Uiso 1 1 calc R . . 
C111 C 0.2591(3) 0.7766(6) 0.5035(2) 0.0157(13) Uani 1 1 d . . . 
N112 N 0.2757(2) 0.8441(4) 0.4583(2) 0.0146(11) Uani 1 1 d . . . 
C113 C 0.2152(3) 0.8593(6) 0.4070(3) 0.0182(13) Uani 1 1 d . . . 
H113 H 0.2299 0.8480 0.3663 0.022 Uiso 1 1 calc R . . 
C114 C 0.1709(3) 0.7560(7) 0.4186(3) 0.0192(13) Uani 1 1 d . . . 
H114 H 0.1229 0.7848 0.4151 0.023 Uiso 1 1 calc R . . 
N115 N 0.1975(2) 0.7281(5) 0.4843(2) 0.0182(12) Uani 1 1 d . . . 
C116 C 0.3350(3) 0.9184(5) 0.4693(2) 0.0144(13) Uani 1 1 d . . . 
C117 C 0.3828(3) 0.9183(5) 0.4299(3) 0.0158(13) Uani 1 1 d . . . 
C118 C 0.4354(3) 0.9993(6) 0.4428(3) 0.0253(16) Uani 1 1 d . . . 
H118 H 0.4686 1.0017 0.4170 0.030 Uiso 1 1 calc R . . 
C119 C 0.4410(3) 1.0755(6) 0.4913(3) 0.0255(16) Uani 1 1 d . . . 
H119 H 0.4775 1.1303 0.4981 0.031 Uiso 1 1 calc R . . 
C120 C 0.3944(3) 1.0750(6) 0.5311(3) 0.0213(15) Uani 1 1 d . . . 
H120 H 0.3983 1.1284 0.5648 0.026 Uiso 1 1 calc R . . 
C121 C 0.3426(3) 0.9940(6) 0.5198(2) 0.0195(14) Uani 1 1 d . . . 
H121 H 0.3110 0.9896 0.5472 0.023 Uiso 1 1 calc R . . 
C122 C 0.3801(3) 0.8338(6) 0.3769(3) 0.0277(17) Uani 1 1 d . . . 
H122 H 0.3433 0.7754 0.3793 0.033 Uiso 1 1 calc R . . 
C123 C 0.4460(4) 0.7670(8) 0.3794(3) 0.044(2) Uani 1 1 d . . . 
H12A H 0.4833 0.8225 0.3785 0.066 Uiso 1 1 calc R . . 
H12B H 0.4416 0.7145 0.3435 0.066 Uiso 1 1 calc R . . 
H12C H 0.4558 0.7207 0.4176 0.066 Uiso 1 1 calc R . . 
C124 C 0.3622(4) 0.8960(7) 0.3139(3) 0.0334(18) Uani 1 1 d . . . 
H12D H 0.3186 0.9373 0.3110 0.050 Uiso 1 1 calc R . . 
H12E H 0.3584 0.8377 0.2806 0.050 Uiso 1 1 calc R . . 
H12F H 0.3982 0.9525 0.3099 0.050 Uiso 1 1 calc R . . 
C125 C 0.1802(3) 0.9810(7) 0.4073(3) 0.0272(16) Uani 1 1 d . . . 
C126 C 0.1538(4) 1.0018(7) 0.4662(3) 0.0354(19) Uani 1 1 d . . . 
H12G H 0.1208 0.9404 0.4711 0.053 Uiso 1 1 calc R . . 
H12H H 0.1315 1.0787 0.4643 0.053 Uiso 1 1 calc R . . 
H12I H 0.1919 0.9997 0.5016 0.053 Uiso 1 1 calc R . . 
C127 C 0.2263(4) 1.0829(7) 0.3953(3) 0.0324(18) Uani 1 1 d . . . 
H12J H 0.1994 1.1554 0.3891 0.049 Uiso 1 1 calc R . . 
H12K H 0.2453 1.0663 0.3582 0.049 Uiso 1 1 calc R . . 
H12L H 0.2635 1.0922 0.4311 0.049 Uiso 1 1 calc R . . 
C128 C 0.1183(4) 0.9837(7) 0.3507(3) 0.0399(19) Uani 1 1 d . . . 
H12M H 0.0874 0.9183 0.3543 0.060 Uiso 1 1 calc R . . 
H12N H 0.1354 0.9765 0.3119 0.060 Uiso 1 1 calc R . . 
H12O H 0.0936 1.0581 0.3509 0.060 Uiso 1 1 calc R . . 
C129 C 0.1699(3) 0.6475(6) 0.3748(3) 0.0246(15) Uani 1 1 d . . . 
C130 C 0.2398(3) 0.6052(7) 0.3688(3) 0.0297(17) Uani 1 1 d . . . 
H13A H 0.2355 0.5354 0.3422 0.045 Uiso 1 1 calc R . . 
H13B H 0.2659 0.5853 0.4099 0.045 Uiso 1 1 calc R . . 
H13C H 0.2636 0.6672 0.3504 0.045 Uiso 1 1 calc R . . 
C131 C 0.1305(4) 0.6813(7) 0.3107(3) 0.0339(19) Uani 1 1 d . . . 
H13D H 0.1519 0.7501 0.2956 0.051 Uiso 1 1 calc R . . 
H13E H 0.0832 0.7000 0.3134 0.051 Uiso 1 1 calc R . . 
H13F H 0.1311 0.6156 0.2821 0.051 Uiso 1 1 calc R . . 
C132 C 0.1323(4) 0.5462(7) 0.3997(3) 0.0370(19) Uani 1 1 d . . . 
H13G H 0.1227 0.4844 0.3682 0.055 Uiso 1 1 calc R . . 
H13H H 0.0893 0.5750 0.4096 0.055 Uiso 1 1 calc R . . 
H13I H 0.1609 0.5143 0.4373 0.055 Uiso 1 1 calc R . . 
C133 C 0.1549(3) 0.6847(6) 0.5258(3) 0.0239(16) Uani 1 1 d . . . 
H13J H 0.1564 0.5987 0.5265 0.036 Uiso 1 1 calc R . . 
H13K H 0.1078 0.7109 0.5113 0.036 Uiso 1 1 calc R . . 
H13L H 0.1716 0.7150 0.5677 0.036 Uiso 1 1 calc R . . 
P11 P 0.42433(7) 0.78118(14) 0.67738(6) 0.0125(3) Uani 1 1 d . . . 
C141 C 0.5093(3) 0.7815(6) 0.6531(3) 0.0181(13) Uani 1 1 d . . . 
H141 H 0.5090 0.7115 0.6255 0.022 Uiso 1 1 calc R . . 
C142 C 0.5181(3) 0.8890(6) 0.6123(3) 0.0283(16) Uani 1 1 d . . . 
H14A H 0.4778 0.8958 0.5784 0.034 Uiso 1 1 calc R . . 
H14B H 0.5208 0.9613 0.6377 0.034 Uiso 1 1 calc R . . 
C143 C 0.5822(3) 0.8777(8) 0.5849(3) 0.0375(18) Uani 1 1 d . . . 
H14C H 0.5881 0.9495 0.5610 0.045 Uiso 1 1 calc R . . 
H14D H 0.5775 0.8101 0.5561 0.045 Uiso 1 1 calc R . . 
C144 C 0.6448(3) 0.8603(8) 0.6357(3) 0.041(2) Uani 1 1 d . . . 
H14E H 0.6856 0.8499 0.6166 0.050 Uiso 1 1 calc R . . 
H14F H 0.6519 0.9312 0.6622 0.050 Uiso 1 1 calc R . . 
C145 C 0.6368(3) 0.7542(8) 0.6754(3) 0.0316(17) Uani 1 1 d . . . 
H14G H 0.6776 0.7462 0.7086 0.038 Uiso 1 1 calc R . . 
H14H H 0.6329 0.6824 0.6496 0.038 Uiso 1 1 calc R . . 
C146 C 0.5729(3) 0.7673(7) 0.7044(3) 0.0248(14) Uani 1 1 d . . . 
H14I H 0.5778 0.8368 0.7319 0.030 Uiso 1 1 calc R . . 
H14J H 0.5677 0.6971 0.7297 0.030 Uiso 1 1 calc R . . 
C151 C 0.4163(3) 0.9093(5) 0.7276(3) 0.0145(14) Uani 1 1 d . . . 
H151 H 0.3723 0.8964 0.7420 0.017 Uiso 1 1 calc R . . 
C152 C 0.4695(3) 0.9234(6) 0.7873(3) 0.0215(15) Uani 1 1 d . . . 
H15A H 0.4773 0.8467 0.8086 0.026 Uiso 1 1 calc R . . 
H15B H 0.5133 0.9498 0.7769 0.026 Uiso 1 1 calc R . . 
C153 C 0.4454(4) 1.0123(6) 0.8302(3) 0.0300(17) Uani 1 1 d . . . 
H15C H 0.4808 1.0213 0.8682 0.036 Uiso 1 1 calc R . . 
H15D H 0.4032 0.9832 0.8427 0.036 Uiso 1 1 calc R . . 
C154 C 0.4314(4) 1.1319(6) 0.7984(3) 0.0296(16) Uani 1 1 d . . . 
H15E H 0.4113 1.1853 0.8257 0.036 Uiso 1 1 calc R . . 
H15F H 0.4751 1.1666 0.7920 0.036 Uiso 1 1 calc R . . 
C155 C 0.3832(3) 1.1215(6) 0.7366(3) 0.0213(14) Uani 1 1 d . . . 
H15G H 0.3793 1.1988 0.7156 0.026 Uiso 1 1 calc R . . 
H15H H 0.3373 1.0990 0.7436 0.026 Uiso 1 1 calc R . . 
C156 C 0.4076(3) 1.0308(6) 0.6946(3) 0.0197(14) Uani 1 1 d . . . 
H15I H 0.4518 1.0561 0.6846 0.024 Uiso 1 1 calc R . . 
H15J H 0.3741 1.0243 0.6554 0.024 Uiso 1 1 calc R . . 
C161 C 0.4337(3) 0.6605(6) 0.7358(3) 0.0155(13) Uani 1 1 d . . . 
H161 H 0.4768 0.6766 0.7661 0.019 Uiso 1 1 calc R . . 
C162 C 0.3768(3) 0.6556(6) 0.7733(3) 0.0183(13) Uani 1 1 d . . . 
H16A H 0.3328 0.6405 0.7450 0.022 Uiso 1 1 calc R . . 
H16B H 0.3734 0.7325 0.7935 0.022 Uiso 1 1 calc R . . 
C163 C 0.3893(4) 0.5598(6) 0.8227(3) 0.0276(16) Uani 1 1 d . . . 
H16C H 0.4305 0.5793 0.8538 0.033 Uiso 1 1 calc R . . 
H16D H 0.3500 0.5557 0.8442 0.033 Uiso 1 1 calc R . . 
C164 C 0.3991(4) 0.4414(6) 0.7934(3) 0.0319(18) Uani 1 1 d . . . 
H16E H 0.4105 0.3816 0.8264 0.038 Uiso 1 1 calc R . . 
H16F H 0.3557 0.4177 0.7663 0.038 Uiso 1 1 calc R . . 
C165 C 0.4553(3) 0.4451(6) 0.7554(3) 0.0264(16) Uani 1 1 d . . . 
H16G H 0.4996 0.4595 0.7834 0.032 Uiso 1 1 calc R . . 
H16H H 0.4580 0.3680 0.7352 0.032 Uiso 1 1 calc R . . 
C166 C 0.4432(3) 0.5399(6) 0.7064(3) 0.0202(14) Uani 1 1 d . . . 
H16I H 0.4019 0.5206 0.6753 0.024 Uiso 1 1 calc R . . 
H16J H 0.4825 0.5434 0.6848 0.024 Uiso 1 1 calc R . . 
Ru2 Ru 0.19717(2) 0.87309(4) 0.947893(17) 0.01259(11) Uani 1 1 d . . . 
Cl21 Cl 0.28719(7) 0.73679(13) 0.93698(7) 0.0210(3) Uani 1 1 d . . . 
Cl22 Cl 0.09819(7) 0.98423(14) 0.95535(6) 0.0173(3) Uani 1 1 d . . . 
C21 C 0.2563(3) 0.9968(7) 0.9437(2) 0.0260(17) Uani 1 1 d . . . 
H21 H 0.3025 0.9718 0.9539 0.031 Uiso 1 1 calc R . . 
C22 C 0.2521(3) 1.1220(6) 0.9291(3) 0.0198(14) Uani 1 1 d . . . 
C23 C 0.1918(4) 1.1799(7) 0.9054(3) 0.0297(17) Uani 1 1 d . . . 
H23 H 0.1500 1.1379 0.8968 0.036 Uiso 1 1 calc R . . 
C24 C 0.1932(4) 1.3002(7) 0.8943(4) 0.038(2) Uani 1 1 d . . . 
H24 H 0.1518 1.3399 0.8779 0.046 Uiso 1 1 calc R . . 
C25 C 0.2540(4) 1.3629(7) 0.9068(3) 0.043(2) Uani 1 1 d . . . 
H25 H 0.2541 1.4451 0.8994 0.052 Uiso 1 1 calc R . . 
C26 C 0.3144(4) 1.3055(7) 0.9299(3) 0.0355(19) Uani 1 1 d . . . 
H26 H 0.3563 1.3474 0.9385 0.043 Uiso 1 1 calc R . . 
C27 C 0.3130(4) 1.1867(7) 0.9403(3) 0.0307(17) Uani 1 1 d . . . 
H27 H 0.3546 1.1470 0.9557 0.037 Uiso 1 1 calc R . . 
C211 C 0.1596(3) 0.8595(6) 0.8536(2) 0.0132(13) Uani 1 1 d . . . 
N212 N 0.1009(2) 0.8001(5) 0.8331(2) 0.0172(12) Uani 1 1 d . . . 
C213 C 0.0884(3) 0.7877(6) 0.7639(2) 0.0173(15) Uani 1 1 d . . . 
H213 H 0.0396 0.8073 0.7468 0.021 Uiso 1 1 calc R . . 
C214 C 0.1341(3) 0.8861(6) 0.7468(2) 0.0154(13) Uani 1 1 d . . . 
H214 H 0.1607 0.8535 0.7163 0.018 Uiso 1 1 calc R . . 
N215 N 0.1822(2) 0.9059(4) 0.8058(2) 0.0142(11) Uani 1 1 d . . . 
C216 C 0.0704(3) 0.7274(5) 0.8744(2) 0.0136(13) Uani 1 1 d . . . 
C217 C 0.0015(3) 0.7410(6) 0.8784(3) 0.0253(16) Uani 1 1 d . . . 
C218 C -0.0219(3) 0.6592(7) 0.9182(3) 0.0270(17) Uani 1 1 d . . . 
H218 H -0.0685 0.6627 0.9220 0.032 Uiso 1 1 calc R . . 
C219 C 0.0181(4) 0.5756(6) 0.9514(3) 0.0271(17) Uani 1 1 d . . . 
H219 H -0.0007 0.5231 0.9773 0.032 Uiso 1 1 calc R . . 
C220 C 0.0861(4) 0.5675(6) 0.9472(3) 0.0262(17) Uani 1 1 d . . . 
H220 H 0.1149 0.5103 0.9703 0.031 Uiso 1 1 calc R . . 
C221 C 0.1111(3) 0.6440(6) 0.9089(3) 0.0179(14) Uani 1 1 d . . . 
H221 H 0.1580 0.6396 0.9060 0.021 Uiso 1 1 calc R . . 
C222 C -0.0441(3) 0.8310(7) 0.8450(3) 0.0309(18) Uani 1 1 d . . . 
H222 H -0.0151 0.8863 0.8258 0.037 Uiso 1 1 calc R . . 
C223 C -0.0974(4) 0.7781(8) 0.7920(3) 0.042(2) Uani 1 1 d . . . 
H22A H -0.0739 0.7378 0.7626 0.064 Uiso 1 1 calc R . . 
H22B H -0.1260 0.8410 0.7705 0.064 Uiso 1 1 calc R . . 
H22C H -0.1261 0.7219 0.8092 0.064 Uiso 1 1 calc R . . 
C224 C -0.0811(4) 0.9032(7) 0.8867(3) 0.042(2) Uani 1 1 d . . . 
H22D H -0.1116 0.8520 0.9050 0.063 Uiso 1 1 calc R . . 
H22E H -0.1080 0.9647 0.8622 0.063 Uiso 1 1 calc R . . 
H22F H -0.0477 0.9393 0.9198 0.063 Uiso 1 1 calc R . . 
C225 C 0.1045(4) 0.6640(6) 0.7406(3) 0.0265(16) Uani 1 1 d . . . 
C226 C 0.1786(3) 0.6289(6) 0.7645(3) 0.0270(16) Uani 1 1 d . . . 
H22G H 0.2090 0.6838 0.7486 0.041 Uiso 1 1 calc R . . 
H22H H 0.1863 0.5493 0.7504 0.041 Uiso 1 1 calc R . . 
H22I H 0.1881 0.6310 0.8099 0.041 Uiso 1 1 calc R . . 
C227 C 0.0908(4) 0.6681(7) 0.6687(3) 0.0353(18) Uani 1 1 d . . . 
H22J H 0.0426 0.6863 0.6532 0.053 Uiso 1 1 calc R . . 
H22K H 0.1018 0.5917 0.6526 0.053 Uiso 1 1 calc R . . 
H22L H 0.1195 0.7288 0.6550 0.053 Uiso 1 1 calc R . . 
C228 C 0.0565(4) 0.5686(6) 0.7580(3) 0.0282(17) Uani 1 1 d . . . 
H22M H 0.0671 0.5552 0.8029 0.042 Uiso 1 1 calc R . . 
H22N H 0.0630 0.4955 0.7363 0.042 Uiso 1 1 calc R . . 
H22O H 0.0090 0.5945 0.7460 0.042 Uiso 1 1 calc R . . 
C229 C 0.0991(3) 0.9998(6) 0.7192(3) 0.0244(16) Uani 1 1 d . . . 
C230 C 0.1521(4) 1.0942(6) 0.7144(3) 0.0285(17) Uani 1 1 d . . . 
H23A H 0.1298 1.1609 0.6907 0.043 Uiso 1 1 calc R . . 
H23B H 0.1872 1.0619 0.6934 0.043 Uiso 1 1 calc R . . 
H23C H 0.1732 1.1204 0.7561 0.043 Uiso 1 1 calc R . . 
C231 C 0.0495(4) 1.0494(7) 0.7584(3) 0.0306(17) Uani 1 1 d . . . 
H23D H 0.0335 1.1269 0.7425 0.046 Uiso 1 1 calc R . . 
H23E H 0.0730 1.0566 0.8016 0.046 Uiso 1 1 calc R . . 
H23F H 0.0104 0.9964 0.7560 0.046 Uiso 1 1 calc R . . 
C232 C 0.0608(3) 0.9726(7) 0.6536(3) 0.0302(17) Uani 1 1 d . . . 
H23G H 0.0253 0.9140 0.6555 0.045 Uiso 1 1 calc R . . 
H23H H 0.0929 0.9419 0.6287 0.045 Uiso 1 1 calc R . . 
H23I H 0.0396 1.0446 0.6344 0.045 Uiso 1 1 calc R . . 
C233 C 0.2532(3) 0.9407(6) 0.8080(3) 0.0163(13) Uani 1 1 d . . . 
H23J H 0.2588 1.0237 0.8196 0.024 Uiso 1 1 calc R . . 
H23K H 0.2651 0.9291 0.7671 0.024 Uiso 1 1 calc R . . 
H23L H 0.2832 0.8928 0.8387 0.024 Uiso 1 1 calc R . . 
P21 P 0.21905(8) 0.85469(14) 1.06247(6) 0.0157(3) Uani 1 1 d . . . 
C241 C 0.2674(3) 0.9780(6) 1.1066(3) 0.0217(15) Uani 1 1 d . . . 
H241 H 0.2699 0.9598 1.1515 0.026 Uiso 1 1 calc R . . 
C242 C 0.2299(3) 1.0950(6) 1.0948(3) 0.0241(15) Uani 1 1 d . . . 
H24A H 0.2262 1.1176 1.0508 0.029 Uiso 1 1 calc R . . 
H24B H 0.1831 1.0870 1.1035 0.029 Uiso 1 1 calc R . . 
C243 C 0.2681(4) 1.1891(7) 1.1360(3) 0.0337(18) Uani 1 1 d . . . 
H24C H 0.2681 1.1697 1.1800 0.040 Uiso 1 1 calc R . . 
H24D H 0.2446 1.2653 1.1267 0.040 Uiso 1 1 calc R . . 
C244 C 0.3423(4) 1.1996(6) 1.1261(4) 0.0365(19) Uani 1 1 d . . . 
H24E H 0.3425 1.2253 1.0831 0.044 Uiso 1 1 calc R . . 
H24F H 0.3666 1.2597 1.1546 0.044 Uiso 1 1 calc R . . 
C245 C 0.3790(4) 1.0834(7) 1.1380(3) 0.0354(18) Uani 1 1 d . . . 
H24G H 0.3830 1.0619 1.1822 0.042 Uiso 1 1 calc R . . 
H24H H 0.4257 1.0909 1.1291 0.042 Uiso 1 1 calc R . . 
C246 C 0.3402(3) 0.9852(6) 1.0968(3) 0.0267(16) Uani 1 1 d . . . 
H24I H 0.3407 1.0020 1.0527 0.032 Uiso 1 1 calc R . . 
H24J H 0.3633 0.9090 1.1075 0.032 Uiso 1 1 calc R . . 
C251 C 0.1379(3) 0.8512(5) 1.0931(2) 0.0179(14) Uani 1 1 d . . . 
H251 H 0.1135 0.9250 1.0771 0.021 Uiso 1 1 calc R . . 
C252 C 0.0907(3) 0.7538(6) 1.0655(3) 0.0279(15) Uani 1 1 d . . . 
H25A H 0.1116 0.6775 1.0800 0.033 Uiso 1 1 calc R . . 
H25B H 0.0858 0.7561 1.0198 0.033 Uiso 1 1 calc R . . 
C253 C 0.0203(3) 0.7612(7) 1.0821(3) 0.0319(16) Uani 1 1 d . . . 
H25C H -0.0062 0.6903 1.0668 0.038 Uiso 1 1 calc R . . 
H25D H -0.0041 0.8304 1.0615 0.038 Uiso 1 1 calc R . . 
C254 C 0.0250(3) 0.7713(7) 1.1518(3) 0.0335(16) Uani 1 1 d . . . 
H25E H -0.0213 0.7843 1.1609 0.040 Uiso 1 1 calc R . . 
H25F H 0.0428 0.6969 1.1719 0.040 Uiso 1 1 calc R . . 
C255 C 0.0709(4) 0.8710(8) 1.1784(3) 0.0339(17) Uani 1 1 d . . . 
H25G H 0.0737 0.8738 1.2238 0.041 Uiso 1 1 calc R . . 
H25H H 0.0510 0.9460 1.1608 0.041 Uiso 1 1 calc R . . 
C256 C 0.1437(3) 0.8578(7) 1.1643(3) 0.0283(16) Uani 1 1 d . . . 
H25I H 0.1653 0.7856 1.1839 0.034 Uiso 1 1 calc R . . 
H25J H 0.1721 0.9259 1.1811 0.034 Uiso 1 1 calc R . . 
C261 C 0.2736(4) 0.7274(6) 1.0903(3) 0.0248(16) Uani 1 1 d . . . 
H261 H 0.3150 0.7376 1.0712 0.030 Uiso 1 1 calc R . . 
C262 C 0.3022(4) 0.7178(7) 1.1610(3) 0.037(2) Uani 1 1 d . . . 
H26A H 0.3203 0.7950 1.1770 0.045 Uiso 1 1 calc R . . 
H26B H 0.2649 0.6958 1.1828 0.045 Uiso 1 1 calc R . . 
C263 C 0.3579(4) 0.6278(7) 1.1740(4) 0.048(2) Uani 1 1 d . . . 
H26C H 0.3736 0.6206 1.2193 0.058 Uiso 1 1 calc R . . 
H26D H 0.3972 0.6539 1.1557 0.058 Uiso 1 1 calc R . . 
C264 C 0.3336(5) 0.5078(8) 1.1471(4) 0.056(3) Uani 1 1 d . . . 
H26E H 0.3728 0.4529 1.1529 0.068 Uiso 1 1 calc R . . 
H26F H 0.2993 0.4761 1.1700 0.068 Uiso 1 1 calc R . . 
C265 C 0.3025(4) 0.5155(6) 1.0790(3) 0.0359(18) Uani 1 1 d . . . 
H26G H 0.2838 0.4379 1.0642 0.043 Uiso 1 1 calc R . . 
H26H H 0.3384 0.5368 1.0553 0.043 Uiso 1 1 calc R . . 
C266 C 0.2454(3) 0.6075(6) 1.0677(3) 0.0243(15) Uani 1 1 d . . . 
H26I H 0.2257 0.6114 1.0228 0.029 Uiso 1 1 calc R . . 
H26J H 0.2086 0.5847 1.0900 0.029 Uiso 1 1 calc R . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 


loop_                                         
        _geom_bond_atom_site_label_1          
        _geom_bond_atom_site_label_2          
        _geom_bond_site_symmetry_1            
        _geom_bond_site_symmetry_2            
        _geom_bond_distance                   
        _geom_bond_publ_flag                  
Ru1            C11            .              .                     1.840(7)   Y
Ru1            C111           .              .                     2.077(5)   Y
Ru1            Cl11           .              .                   2.3622(14)   Y
Ru1            Cl12           .              .                   2.4131(14)   Y
Ru1            P11            .              .                   2.5047(14)   Y
C11            C12            .              .                     1.466(9)   Y
C11            H11            .              .                         0.95   ?
C12            C13            .              .                     1.378(8)   Y
C12            C17            .              .                     1.408(9)   Y
C13            C14            .              .                    1.387(10)   Y
C13            H13            .              .                         0.95   ?
C14            C15            .              .                    1.366(11)   Y
C14            H14            .              .                         0.95   ?
C15            C16            .              .                    1.367(10)   Y
C15            H15            .              .                         0.95   ?
C16            C17            .              .                     1.384(9)   Y
C16            H16            .              .                         0.95   ?
C17            H17            .              .                         0.95   ?
C111           N115           .              .                     1.340(7)   Y
C111           N112           .              .                     1.344(7)   Y
N112           C116           .              .                     1.438(7)   Y
N112           C113           .              .                     1.498(7)   Y
C113           C114           .              .                     1.522(9)   Y
C113           C125           .              .                    1.552(10)   Y
C113           H113           .              .                            1   ?
C114           N115           .              .                     1.476(7)   Y
C114           C129           .              .                     1.564(9)   Y
C114           H114           .              .                            1   ?
N115           C133           .              .                     1.445(7)   Y
C116           C121           .              .                     1.388(8)   Y
C116           C117           .              .                     1.403(8)   Y
C117           C118           .              .                     1.385(9)   Y
C117           C122           .              .                     1.502(9)   Y
C118           C119           .              .                     1.363(9)   Y
C118           H118           .              .                         0.95   ?
C119           C120           .              .                     1.388(9)   Y
C119           H119           .              .                         0.95   ?
C120           C121           .              .                     1.373(9)   Y
C120           H120           .              .                         0.95   ?
C121           H121           .              .                         0.95   ?
C122           C123           .              .                     1.510(9)   Y
C122           C124           .              .                     1.536(9)   Y
C122           H122           .              .                            1   ?
C123           H12a           .              .                         0.98   ?
C123           H12b           .              .                         0.98   ?
C123           H12c           .              .                         0.98   ?
C124           H12d           .              .                         0.98   ?
C124           H12e           .              .                         0.98   ?
C124           H12f           .              .                         0.98   ?
C125           C126           .              .                     1.505(9)   Y
C125           C127           .              .                    1.533(10)   Y
C125           C128           .              .                     1.578(9)   Y
C126           H12g           .              .                         0.98   ?
C126           H12h           .              .                         0.98   ?
C126           H12i           .              .                         0.98   ?
C127           H12j           .              .                         0.98   ?
C127           H12k           .              .                         0.98   ?
C127           H12l           .              .                         0.98   ?
C128           H12m           .              .                         0.98   ?
C128           H12n           .              .                         0.98   ?
C128           H12o           .              .                         0.98   ?
C129           C130           .              .                     1.505(9)   Y
C129           C131           .              .                     1.527(9)   Y
C129           C132           .              .                    1.531(10)   Y
C130           H13a           .              .                         0.98   ?
C130           H13b           .              .                         0.98   ?
C130           H13c           .              .                         0.98   ?
C131           H13d           .              .                         0.98   ?
C131           H13e           .              .                         0.98   ?
C131           H13f           .              .                         0.98   ?
C132           H13g           .              .                         0.98   ?
C132           H13h           .              .                         0.98   ?
C132           H13i           .              .                         0.98   ?
C133           H13j           .              .                         0.98   ?
C133           H13k           .              .                         0.98   ?
C133           H13l           .              .                         0.98   ?
P11            C151           .              .                     1.854(6)   Y
P11            C161           .              .                     1.866(6)   Y
P11            C141           .              .                     1.869(6)   Y
C141           C146           .              .                     1.539(8)   Y
C141           C142           .              .                     1.547(8)   Y
C141           H141           .              .                            1   ?
C142           C143           .              .                     1.517(8)   Y
C142           H14a           .              .                         0.99   ?
C142           H14b           .              .                         0.99   ?
C143           C144           .              .                    1.522(10)   Y
C143           H14c           .              .                         0.99   ?
C143           H14d           .              .                         0.99   ?
C144           C145           .              .                    1.517(11)   Y
C144           H14e           .              .                         0.99   ?
C144           H14f           .              .                         0.99   ?
C145           C146           .              .                     1.534(7)   Y
C145           H14g           .              .                         0.99   ?
C145           H14h           .              .                         0.99   ?
C146           H14i           .              .                         0.99   ?
C146           H14j           .              .                         0.99   ?
C151           C152           .              .                     1.532(8)   Y
C151           C156           .              .                     1.556(8)   Y
C151           H151           .              .                            1   ?
C152           C153           .              .                     1.522(9)   Y
C152           H15a           .              .                         0.99   ?
C152           H15b           .              .                         0.99   ?
C153           C154           .              .                    1.532(10)   Y
C153           H15c           .              .                         0.99   ?
C153           H15d           .              .                         0.99   ?
C154           C155           .              .                     1.514(9)   Y
C154           H15e           .              .                         0.99   ?
C154           H15f           .              .                         0.99   ?
C155           C156           .              .                     1.523(8)   Y
C155           H15g           .              .                         0.99   ?
C155           H15h           .              .                         0.99   ?
C156           H15i           .              .                         0.99   ?
C156           H15j           .              .                         0.99   ?
C161           C162           .              .                     1.522(8)   Y
C161           C166           .              .                     1.545(8)   Y
C161           H161           .              .                            1   ?
C162           C163           .              .                     1.526(8)   Y
C162           H16a           .              .                         0.99   ?
C162           H16b           .              .                         0.99   ?
C163           C164           .              .                    1.524(10)   Y
C163           H16c           .              .                         0.99   ?
C163           H16d           .              .                         0.99   ?
C164           C165           .              .                     1.519(9)   Y
C164           H16e           .              .                         0.99   ?
C164           H16f           .              .                         0.99   ?
C165           C166           .              .                     1.511(9)   Y
C165           H16g           .              .                         0.99   ?
C165           H16h           .              .                         0.99   ?
C166           H16i           .              .                         0.99   ?
C166           H16j           .              .                         0.99   ?
Ru2            C21            .              .                     1.851(8)   Y
Ru2            C211           .              .                     2.071(5)   Y
Ru2            Cl22           .              .                   2.3761(15)   Y
Ru2            Cl21           .              .                   2.4191(15)   Y
Ru2            P21            .              .                   2.4804(14)   Y
C21            C22            .              .                    1.461(10)   Y
C21            H21            .              .                         0.95   ?
C22            C23            .              .                     1.383(9)   Y
C22            C27            .              .                     1.402(9)   Y
C23            C24            .              .                    1.393(10)   Y
C23            H23            .              .                         0.95   ?
C24            C25            .              .                    1.391(10)   Y
C24            H24            .              .                         0.95   ?
C25            C26            .              .                    1.380(11)   Y
C25            H25            .              .                         0.95   ?
C26            C27            .              .                    1.374(10)   Y
C26            H26            .              .                         0.95   ?
C27            H27            .              .                         0.95   ?
C211           N215           .              .                     1.327(7)   Y
C211           N212           .              .                     1.355(7)   Y
N212           C216           .              .                     1.443(7)   Y
N212           C213           .              .                     1.499(7)   Y
C213           C214           .              .                     1.535(9)   Y
C213           C225           .              .                     1.553(9)   Y
C213           H213           .              .                            1   ?
C214           N215           .              .                     1.478(6)   Y
C214           C229           .              .                     1.540(9)   Y
C214           H214           .              .                            1   ?
N215           C233           .              .                     1.462(7)   Y
C216           C221           .              .                     1.381(9)   Y
C216           C217           .              .                     1.401(8)   Y
C217           C218           .              .                     1.415(9)   Y
C217           C222           .              .                    1.472(10)   Y
C218           C219           .              .                    1.363(10)   Y
C218           H218           .              .                         0.95   ?
C219           C220           .              .                     1.379(9)   Y
C219           H219           .              .                         0.95   ?
C220           C221           .              .                     1.368(8)   Y
C220           H220           .              .                         0.95   ?
C221           H221           .              .                         0.95   ?
C222           C224           .              .                     1.521(9)   Y
C222           C223           .              .                     1.545(9)   Y
C222           H222           .              .                            1   ?
C223           H22a           .              .                         0.98   ?
C223           H22b           .              .                         0.98   ?
C223           H22c           .              .                         0.98   ?
C224           H22d           .              .                         0.98   ?
C224           H22e           .              .                         0.98   ?
C224           H22f           .              .                         0.98   ?
C225           C226           .              .                     1.526(9)   Y
C225           C228           .              .                     1.543(9)   Y
C225           C227           .              .                     1.551(9)   Y
C226           H22g           .              .                         0.98   ?
C226           H22h           .              .                         0.98   ?
C226           H22i           .              .                         0.98   ?
C227           H22j           .              .                         0.98   ?
C227           H22k           .              .                         0.98   ?
C227           H22l           .              .                         0.98   ?
C228           H22m           .              .                         0.98   ?
C228           H22n           .              .                         0.98   ?
C228           H22o           .              .                         0.98   ?
C229           C230           .              .                    1.524(10)   Y
C229           C232           .              .                     1.532(9)   Y
C229           C231           .              .                     1.535(9)   Y
C230           H23a           .              .                         0.98   ?
C230           H23b           .              .                         0.98   ?
C230           H23c           .              .                         0.98   ?
C231           H23d           .              .                         0.98   ?
C231           H23e           .              .                         0.98   ?
C231           H23f           .              .                         0.98   ?
C232           H23g           .              .                         0.98   ?
C232           H23h           .              .                         0.98   ?
C232           H23i           .              .                         0.98   ?
C233           H23j           .              .                         0.98   ?
C233           H23k           .              .                         0.98   ?
C233           H23l           .              .                         0.98   ?
P21            C261           .              .                     1.847(7)   Y
P21            C251           .              .                     1.866(6)   Y
P21            C241           .              .                     1.868(7)   Y
C241           C246           .              .                     1.510(9)   Y
C241           C242           .              .                     1.526(9)   Y
C241           H241           .              .                            1   ?
C242           C243           .              .                     1.514(9)   Y
C242           H24a           .              .                         0.99   ?
C242           H24b           .              .                         0.99   ?
C243           C244           .              .                    1.539(10)   Y
C243           H24c           .              .                         0.99   ?
C243           H24d           .              .                         0.99   ?
C244           C245           .              .                    1.512(10)   Y
C244           H24e           .              .                         0.99   ?
C244           H24f           .              .                         0.99   ?
C245           C246           .              .                    1.549(10)   Y
C245           H24g           .              .                         0.99   ?
C245           H24h           .              .                         0.99   ?
C246           H24i           .              .                         0.99   ?
C246           H24j           .              .                         0.99   ?
C251           C252           .              .                     1.507(9)   Y
C251           C256           .              .                     1.548(8)   Y
C251           H251           .              .                            1   ?
C252           C253           .              .                     1.517(9)   Y
C252           H25a           .              .                         0.99   ?
C252           H25b           .              .                         0.99   ?
C253           C254           .              .                     1.521(9)   Y
C253           H25c           .              .                         0.99   ?
C253           H25d           .              .                         0.99   ?
C254           C255           .              .                    1.506(10)   Y
C254           H25e           .              .                         0.99   ?
C254           H25f           .              .                         0.99   ?
C255           C256           .              .                     1.545(9)   Y
C255           H25g           .              .                         0.99   ?
C255           H25h           .              .                         0.99   ?
C256           H25i           .              .                         0.99   ?
C256           H25j           .              .                         0.99   ?
C261           C266           .              .                     1.524(9)   Y
C261           C262           .              .                     1.554(9)   Y
C261           H261           .              .                            1   ?
C262           C263           .              .                    1.499(10)   Y
C262           H26a           .              .                         0.99   ?
C262           H26b           .              .                         0.99   ?
C263           C264           .              .                    1.530(11)   Y
C263           H26c           .              .                         0.99   ?
C263           H26d           .              .                         0.99   ?
C264           C265           .              .                    1.511(10)   Y
C264           H26e           .              .                         0.99   ?
C264           H26f           .              .                         0.99   ?
C265           C266           .              .                    1.534(10)   Y
C265           H26g           .              .                         0.99   ?
C265           H26h           .              .                         0.99   ?
C266           H26i           .              .                         0.99   ?
C266           H26j           .              .                         0.99   ?

loop_                                         
        _geom_angle_atom_site_label_1         
        _geom_angle_atom_site_label_2         
        _geom_angle_atom_site_label_3         
        _geom_angle_site_symmetry_1           
        _geom_angle_site_symmetry_2           
        _geom_angle_site_symmetry_3           
        _geom_angle                           
        _geom_angle_publ_flag                 
C11       RU1       C111      .         .         .            96.7(3)        Y
C11       RU1       CL11      .         .         .          97.82(19)        Y
C111      RU1       CL11      .         .         .          87.82(16)        Y
C11       RU1       CL12      .         .         .            89.0(2)        Y
C111      RU1       CL12      .         .         .          90.26(16)        Y
CL11      RU1       CL12      .         .         .          173.06(6)        Y
C11       RU1       P11       .         .         .          96.41(18)        Y
C111      RU1       P11       .         .         .         166.77(18)        Y
CL11      RU1       P11       .         .         .           88.69(5)        Y
CL12      RU1       P11       .         .         .           91.69(5)        Y
C12       C11       RU1       .         .         .           136.4(4)        Y
C12       C11       H11       .         .         .              111.8        ?
RU1       C11       H11       .         .         .              111.8        ?
C13       C12       C17       .         .         .           118.2(6)        Y
C13       C12       C11       .         .         .           125.3(6)        Y
C17       C12       C11       .         .         .           116.5(5)        Y
C12       C13       C14       .         .         .           120.5(7)        Y
C12       C13       H13       .         .         .              119.8        ?
C14       C13       H13       .         .         .              119.8        ?
C15       C14       C13       .         .         .           120.5(7)        Y
C15       C14       H14       .         .         .              119.8        ?
C13       C14       H14       .         .         .              119.8        ?
C14       C15       C16       .         .         .           120.4(8)        Y
C14       C15       H15       .         .         .              119.8        ?
C16       C15       H15       .         .         .              119.8        ?
C15       C16       C17       .         .         .           119.9(7)        Y
C15       C16       H16       .         .         .              120.1        ?
C17       C16       H16       .         .         .              120.1        ?
C16       C17       C12       .         .         .           120.5(7)        Y
C16       C17       H17       .         .         .              119.8        ?
C12       C17       H17       .         .         .              119.8        ?
N115      C111      N112      .         .         .           110.0(5)        Y
N115      C111      RU1       .         .         .           130.9(4)        Y
N112      C111      RU1       .         .         .           119.1(4)        Y
C111      N112      C116      .         .         .           121.4(4)        Y
C111      N112      C113      .         .         .           110.3(4)        Y
C116      N112      C113      .         .         .           125.4(5)        Y
N112      C113      C114      .         .         .           101.2(5)        Y
N112      C113      C125      .         .         .           113.6(5)        Y
C114      C113      C125      .         .         .           114.5(5)        Y
N112      C113      H113      .         .         .              109.1        ?
C114      C113      H113      .         .         .              109.1        ?
C125      C113      H113      .         .         .              109.1        ?
N115      C114      C113      .         .         .           102.5(5)        Y
N115      C114      C129      .         .         .           113.0(6)        Y
C113      C114      C129      .         .         .           116.7(5)        Y
N115      C114      H114      .         .         .              108.1        ?
C113      C114      H114      .         .         .              108.1        ?
C129      C114      H114      .         .         .              108.1        ?
C111      N115      C133      .         .         .           123.8(5)        Y
C111      N115      C114      .         .         .           111.0(5)        Y
C133      N115      C114      .         .         .           122.9(5)        Y
C121      C116      C117      .         .         .           120.5(6)        Y
C121      C116      N112      .         .         .           117.6(5)        Y
C117      C116      N112      .         .         .           121.9(5)        Y
C118      C117      C116      .         .         .           116.6(6)        Y
C118      C117      C122      .         .         .           120.1(5)        Y
C116      C117      C122      .         .         .           123.3(5)        Y
C119      C118      C117      .         .         .           122.2(6)        Y
C119      C118      H118      .         .         .              118.9        ?
C117      C118      H118      .         .         .              118.9        ?
C118      C119      C120      .         .         .           121.5(6)        Y
C118      C119      H119      .         .         .              119.3        ?
C120      C119      H119      .         .         .              119.3        ?
C121      C120      C119      .         .         .           117.3(6)        Y
C121      C120      H120      .         .         .              121.4        ?
C119      C120      H120      .         .         .              121.4        ?
C120      C121      C116      .         .         .           121.8(6)        Y
C120      C121      H121      .         .         .              119.1        ?
C116      C121      H121      .         .         .              119.1        ?
C117      C122      C123      .         .         .           113.1(6)        Y
C117      C122      C124      .         .         .           111.7(6)        Y
C123      C122      C124      .         .         .           108.5(5)        Y
C117      C122      H122      .         .         .              107.8        ?
C123      C122      H122      .         .         .              107.8        ?
C124      C122      H122      .         .         .              107.8        ?
C122      C123      H12A      .         .         .              109.5        ?
C122      C123      H12B      .         .         .              109.5        ?
H12A      C123      H12B      .         .         .              109.5        ?
C122      C123      H12C      .         .         .              109.5        ?
H12A      C123      H12C      .         .         .              109.5        ?
H12B      C123      H12C      .         .         .              109.5        ?
C122      C124      H12D      .         .         .              109.5        ?
C122      C124      H12E      .         .         .              109.5        ?
H12D      C124      H12E      .         .         .              109.5        ?
C122      C124      H12F      .         .         .              109.5        ?
H12D      C124      H12F      .         .         .              109.5        ?
H12E      C124      H12F      .         .         .              109.5        ?
C126      C125      C127      .         .         .           110.2(6)        Y
C126      C125      C113      .         .         .           111.9(6)        Y
C127      C125      C113      .         .         .           113.1(6)        Y
C126      C125      C128      .         .         .           109.0(6)        Y
C127      C125      C128      .         .         .           104.9(6)        Y
C113      C125      C128      .         .         .           107.5(6)        Y
C125      C126      H12G      .         .         .              109.5        ?
C125      C126      H12H      .         .         .              109.5        ?
H12G      C126      H12H      .         .         .              109.5        ?
C125      C126      H12I      .         .         .              109.5        ?
H12G      C126      H12I      .         .         .              109.5        ?
H12H      C126      H12I      .         .         .              109.5        ?
C125      C127      H12J      .         .         .              109.5        ?
C125      C127      H12K      .         .         .              109.5        ?
H12J      C127      H12K      .         .         .              109.5        ?
C125      C127      H12L      .         .         .              109.5        ?
H12J      C127      H12L      .         .         .              109.5        ?
H12K      C127      H12L      .         .         .              109.5        ?
C125      C128      H12M      .         .         .              109.5        ?
C125      C128      H12N      .         .         .              109.5        ?
H12M      C128      H12N      .         .         .              109.5        ?
C125      C128      H12O      .         .         .              109.5        ?
H12M      C128      H12O      .         .         .              109.5        ?
H12N      C128      H12O      .         .         .              109.5        ?
C130      C129      C131      .         .         .           108.9(6)        Y
C130      C129      C132      .         .         .           108.2(6)        Y
C131      C129      C132      .         .         .           108.5(6)        Y
C130      C129      C114      .         .         .           113.7(5)        Y
C131      C129      C114      .         .         .           108.2(6)        Y
C132      C129      C114      .         .         .           109.1(5)        Y
C129      C130      H13A      .         .         .              109.5        ?
C129      C130      H13B      .         .         .              109.5        ?
H13A      C130      H13B      .         .         .              109.5        ?
C129      C130      H13C      .         .         .              109.5        ?
H13A      C130      H13C      .         .         .              109.5        ?
H13B      C130      H13C      .         .         .              109.5        ?
C129      C131      H13D      .         .         .              109.5        ?
C129      C131      H13E      .         .         .              109.5        ?
H13D      C131      H13E      .         .         .              109.5        ?
C129      C131      H13F      .         .         .              109.5        ?
H13D      C131      H13F      .         .         .              109.5        ?
H13E      C131      H13F      .         .         .              109.5        ?
C129      C132      H13G      .         .         .              109.5        ?
C129      C132      H13H      .         .         .              109.5        ?
H13G      C132      H13H      .         .         .              109.5        ?
C129      C132      H13I      .         .         .              109.5        ?
H13G      C132      H13I      .         .         .              109.5        ?
H13H      C132      H13I      .         .         .              109.5        ?
N115      C133      H13J      .         .         .              109.5        ?
N115      C133      H13K      .         .         .              109.5        ?
H13J      C133      H13K      .         .         .              109.5        ?
N115      C133      H13L      .         .         .              109.5        ?
H13J      C133      H13L      .         .         .              109.5        ?
H13K      C133      H13L      .         .         .              109.5        ?
C151      P11       C161      .         .         .           100.4(3)        Y
C151      P11       C141      .         .         .           110.6(3)        Y
C161      P11       C141      .         .         .           102.6(3)        Y
C151      P11       RU1       .         .         .         113.55(19)        Y
C161      P11       RU1       .         .         .           116.3(2)        Y
C141      P11       RU1       .         .         .         112.29(18)        Y
C146      C141      C142      .         .         .           109.9(5)        Y
C146      C141      P11       .         .         .           117.2(4)        Y
C142      C141      P11       .         .         .           111.9(4)        Y
C146      C141      H141      .         .         .              105.6        ?
C142      C141      H141      .         .         .              105.6        ?
P11       C141      H141      .         .         .              105.6        ?
C143      C142      C141      .         .         .           110.9(6)        Y
C143      C142      H14A      .         .         .              109.5        ?
C141      C142      H14A      .         .         .              109.5        ?
C143      C142      H14B      .         .         .              109.5        ?
C141      C142      H14B      .         .         .              109.5        ?
H14A      C142      H14B      .         .         .                108        ?
C142      C143      C144      .         .         .           110.9(5)        Y
C142      C143      H14C      .         .         .              109.5        ?
C144      C143      H14C      .         .         .              109.5        ?
C142      C143      H14D      .         .         .              109.5        ?
C144      C143      H14D      .         .         .              109.5        ?
H14C      C143      H14D      .         .         .                108        ?
C145      C144      C143      .         .         .           111.4(6)        Y
C145      C144      H14E      .         .         .              109.3        ?
C143      C144      H14E      .         .         .              109.3        ?
C145      C144      H14F      .         .         .              109.3        ?
C143      C144      H14F      .         .         .              109.3        ?
H14E      C144      H14F      .         .         .                108        ?
C144      C145      C146      .         .         .           110.3(6)        Y
C144      C145      H14G      .         .         .              109.6        ?
C146      C145      H14G      .         .         .              109.6        ?
C144      C145      H14H      .         .         .              109.6        ?
C146      C145      H14H      .         .         .              109.6        ?
H14G      C145      H14H      .         .         .              108.1        ?
C145      C146      C141      .         .         .           109.9(5)        Y
C145      C146      H14I      .         .         .              109.7        ?
C141      C146      H14I      .         .         .              109.7        ?
C145      C146      H14J      .         .         .              109.7        ?
C141      C146      H14J      .         .         .              109.7        ?
H14I      C146      H14J      .         .         .              108.2        ?
C152      C151      C156      .         .         .           107.7(5)        Y
C152      C151      P11       .         .         .           117.9(4)        Y
C156      C151      P11       .         .         .           116.0(4)        Y
C152      C151      H151      .         .         .              104.6        ?
C156      C151      H151      .         .         .              104.6        ?
P11       C151      H151      .         .         .              104.6        ?
C153      C152      C151      .         .         .           110.6(5)        Y
C153      C152      H15A      .         .         .              109.5        ?
C151      C152      H15A      .         .         .              109.5        ?
C153      C152      H15B      .         .         .              109.5        ?
C151      C152      H15B      .         .         .              109.5        ?
H15A      C152      H15B      .         .         .              108.1        ?
C152      C153      C154      .         .         .           111.2(5)        Y
C152      C153      H15C      .         .         .              109.4        ?
C154      C153      H15C      .         .         .              109.4        ?
C152      C153      H15D      .         .         .              109.4        ?
C154      C153      H15D      .         .         .              109.4        ?
H15C      C153      H15D      .         .         .                108        ?
C155      C154      C153      .         .         .           111.7(6)        Y
C155      C154      H15E      .         .         .              109.3        ?
C153      C154      H15E      .         .         .              109.3        ?
C155      C154      H15F      .         .         .              109.3        ?
C153      C154      H15F      .         .         .              109.3        ?
H15E      C154      H15F      .         .         .              107.9        ?
C154      C155      C156      .         .         .           112.0(5)        Y
C154      C155      H15G      .         .         .              109.2        ?
C156      C155      H15G      .         .         .              109.2        ?
C154      C155      H15H      .         .         .              109.2        ?
C156      C155      H15H      .         .         .              109.2        ?
H15G      C155      H15H      .         .         .              107.9        ?
C155      C156      C151      .         .         .           110.0(5)        Y
C155      C156      H15I      .         .         .              109.7        ?
C151      C156      H15I      .         .         .              109.7        ?
C155      C156      H15J      .         .         .              109.7        ?
C151      C156      H15J      .         .         .              109.7        ?
H15I      C156      H15J      .         .         .              108.2        ?
C162      C161      C166      .         .         .           110.8(5)        Y
C162      C161      P11       .         .         .           114.2(4)        Y
C166      C161      P11       .         .         .           111.8(4)        Y
C162      C161      H161      .         .         .              106.5        ?
C166      C161      H161      .         .         .              106.5        ?
P11       C161      H161      .         .         .              106.5        ?
C161      C162      C163      .         .         .           111.8(5)        Y
C161      C162      H16A      .         .         .              109.3        ?
C163      C162      H16A      .         .         .              109.3        ?
C161      C162      H16B      .         .         .              109.3        ?
C163      C162      H16B      .         .         .              109.3        ?
H16A      C162      H16B      .         .         .              107.9        ?
C164      C163      C162      .         .         .           110.5(5)        Y
C164      C163      H16C      .         .         .              109.6        ?
C162      C163      H16C      .         .         .              109.6        ?
C164      C163      H16D      .         .         .              109.6        ?
C162      C163      H16D      .         .         .              109.6        ?
H16C      C163      H16D      .         .         .              108.1        ?
C165      C164      C163      .         .         .           111.9(6)        Y
C165      C164      H16E      .         .         .              109.2        ?
C163      C164      H16E      .         .         .              109.2        ?
C165      C164      H16F      .         .         .              109.2        ?
C163      C164      H16F      .         .         .              109.2        ?
H16E      C164      H16F      .         .         .              107.9        ?
C166      C165      C164      .         .         .           112.0(6)        Y
C166      C165      H16G      .         .         .              109.2        ?
C164      C165      H16G      .         .         .              109.2        ?
C166      C165      H16H      .         .         .              109.2        ?
C164      C165      H16H      .         .         .              109.2        ?
H16G      C165      H16H      .         .         .              107.9        ?
C165      C166      C161      .         .         .           110.7(5)        Y
C165      C166      H16I      .         .         .              109.5        ?
C161      C166      H16I      .         .         .              109.5        ?
C165      C166      H16J      .         .         .              109.5        ?
C161      C166      H16J      .         .         .              109.5        ?
H16I      C166      H16J      .         .         .              108.1        ?
C21       RU2       C211      .         .         .            96.9(2)        Y
C21       RU2       CL22      .         .         .            98.2(2)        Y
C211      RU2       CL22      .         .         .          87.67(16)        Y
C21       RU2       CL21      .         .         .            89.6(2)        Y
C211      RU2       CL21      .         .         .          89.36(17)        Y
CL22      RU2       CL21      .         .         .          171.96(6)        Y
C21       RU2       P21       .         .         .          97.06(17)        Y
C211      RU2       P21       .         .         .         165.81(17)        Y
CL22      RU2       P21       .         .         .           88.02(5)        Y
CL21      RU2       P21       .         .         .           93.08(5)        Y
C22       C21       RU2       .         .         .           138.1(5)        Y
C22       C21       H21       .         .         .                111        ?
RU2       C21       H21       .         .         .                111        ?
C23       C22       C27       .         .         .           118.6(7)        Y
C23       C22       C21       .         .         .           123.9(6)        Y
C27       C22       C21       .         .         .           117.5(6)        Y
C22       C23       C24       .         .         .           119.4(7)        Y
C22       C23       H23       .         .         .              120.3        ?
C24       C23       H23       .         .         .              120.3        ?
C25       C24       C23       .         .         .           121.0(8)        Y
C25       C24       H24       .         .         .              119.5        ?
C23       C24       H24       .         .         .              119.5        ?
C26       C25       C24       .         .         .           119.8(8)        Y
C26       C25       H25       .         .         .              120.1        ?
C24       C25       H25       .         .         .              120.1        ?
C27       C26       C25       .         .         .           119.0(8)        Y
C27       C26       H26       .         .         .              120.5        ?
C25       C26       H26       .         .         .              120.5        ?
C26       C27       C22       .         .         .           122.1(7)        Y
C26       C27       H27       .         .         .              118.9        ?
C22       C27       H27       .         .         .              118.9        ?
N215      C211      N212      .         .         .           109.6(4)        Y
N215      C211      RU2       .         .         .           130.4(4)        Y
N212      C211      RU2       .         .         .           119.9(4)        Y
C211      N212      C216      .         .         .           121.1(4)        Y
C211      N212      C213      .         .         .           110.6(4)        Y
C216      N212      C213      .         .         .           125.0(5)        Y
N212      C213      C214      .         .         .           100.7(4)        Y
N212      C213      C225      .         .         .           114.4(5)        Y
C214      C213      C225      .         .         .           114.4(5)        Y
N212      C213      H213      .         .         .                109        ?
C214      C213      H213      .         .         .                109        ?
C225      C213      H213      .         .         .                109        ?
N215      C214      C213      .         .         .           102.4(4)        Y
N215      C214      C229      .         .         .           112.8(5)        Y
C213      C214      C229      .         .         .           117.6(5)        Y
N215      C214      H214      .         .         .              107.8        ?
C213      C214      H214      .         .         .              107.8        ?
C229      C214      H214      .         .         .              107.8        ?
C211      N215      C233      .         .         .           123.6(5)        Y
C211      N215      C214      .         .         .           111.9(5)        Y
C233      N215      C214      .         .         .           122.3(4)        Y
C221      C216      C217      .         .         .           121.6(6)        Y
C221      C216      N212      .         .         .           117.8(5)        Y
C217      C216      N212      .         .         .           120.7(6)        Y
C216      C217      C218      .         .         .           114.0(6)        Y
C216      C217      C222      .         .         .           124.5(6)        Y
C218      C217      C222      .         .         .           121.5(6)        Y
C219      C218      C217      .         .         .           124.3(6)        Y
C219      C218      H218      .         .         .              117.9        ?
C217      C218      H218      .         .         .              117.9        ?
C218      C219      C220      .         .         .           119.7(6)        Y
C218      C219      H219      .         .         .              120.2        ?
C220      C219      H219      .         .         .              120.2        ?
C221      C220      C219      .         .         .           118.4(7)        Y
C221      C220      H220      .         .         .              120.8        ?
C219      C220      H220      .         .         .              120.8        ?
C220      C221      C216      .         .         .           122.1(6)        Y
C220      C221      H221      .         .         .                119        ?
C216      C221      H221      .         .         .                119        ?
C217      C222      C224      .         .         .           113.6(6)        Y
C217      C222      C223      .         .         .           112.2(6)        Y
C224      C222      C223      .         .         .           108.8(5)        Y
C217      C222      H222      .         .         .              107.3        ?
C224      C222      H222      .         .         .              107.3        ?
C223      C222      H222      .         .         .              107.3        ?
C222      C223      H22A      .         .         .              109.5        ?
C222      C223      H22B      .         .         .              109.5        ?
H22A      C223      H22B      .         .         .              109.5        ?
C222      C223      H22C      .         .         .              109.5        ?
H22A      C223      H22C      .         .         .              109.5        ?
H22B      C223      H22C      .         .         .              109.5        ?
C222      C224      H22D      .         .         .              109.5        ?
C222      C224      H22E      .         .         .              109.5        ?
H22D      C224      H22E      .         .         .              109.5        ?
C222      C224      H22F      .         .         .              109.5        ?
H22D      C224      H22F      .         .         .              109.5        ?
H22E      C224      H22F      .         .         .              109.5        ?
C226      C225      C228      .         .         .           109.6(6)        Y
C226      C225      C227      .         .         .           109.3(5)        Y
C228      C225      C227      .         .         .           106.0(6)        Y
C226      C225      C213      .         .         .           111.8(6)        Y
C228      C225      C213      .         .         .           112.5(5)        Y
C227      C225      C213      .         .         .           107.5(6)        Y
C225      C226      H22G      .         .         .              109.5        ?
C225      C226      H22H      .         .         .              109.5        ?
H22G      C226      H22H      .         .         .              109.5        ?
C225      C226      H22I      .         .         .              109.5        ?
H22G      C226      H22I      .         .         .              109.5        ?
H22H      C226      H22I      .         .         .              109.5        ?
C225      C227      H22J      .         .         .              109.5        ?
C225      C227      H22K      .         .         .              109.5        ?
H22J      C227      H22K      .         .         .              109.5        ?
C225      C227      H22L      .         .         .              109.5        ?
H22J      C227      H22L      .         .         .              109.5        ?
H22K      C227      H22L      .         .         .              109.5        ?
C225      C228      H22M      .         .         .              109.5        ?
C225      C228      H22N      .         .         .              109.5        ?
H22M      C228      H22N      .         .         .              109.5        ?
C225      C228      H22O      .         .         .              109.5        ?
H22M      C228      H22O      .         .         .              109.5        ?
H22N      C228      H22O      .         .         .              109.5        ?
C230      C229      C232      .         .         .           107.9(5)        Y
C230      C229      C231      .         .         .           107.8(6)        Y
C232      C229      C231      .         .         .           110.0(5)        Y
C230      C229      C214      .         .         .           110.6(5)        Y
C232      C229      C214      .         .         .           108.0(6)        Y
C231      C229      C214      .         .         .           112.4(5)        Y
C229      C230      H23A      .         .         .              109.5        ?
C229      C230      H23B      .         .         .              109.5        ?
H23A      C230      H23B      .         .         .              109.5        ?
C229      C230      H23C      .         .         .              109.5        ?
H23A      C230      H23C      .         .         .              109.5        ?
H23B      C230      H23C      .         .         .              109.5        ?
C229      C231      H23D      .         .         .              109.5        ?
C229      C231      H23E      .         .         .              109.5        ?
H23D      C231      H23E      .         .         .              109.5        ?
C229      C231      H23F      .         .         .              109.5        ?
H23D      C231      H23F      .         .         .              109.5        ?
H23E      C231      H23F      .         .         .              109.5        ?
C229      C232      H23G      .         .         .              109.5        ?
C229      C232      H23H      .         .         .              109.5        ?
H23G      C232      H23H      .         .         .              109.5        ?
C229      C232      H23I      .         .         .              109.5        ?
H23G      C232      H23I      .         .         .              109.5        ?
H23H      C232      H23I      .         .         .              109.5        ?
N215      C233      H23J      .         .         .              109.5        ?
N215      C233      H23K      .         .         .              109.5        ?
H23J      C233      H23K      .         .         .              109.5        ?
N215      C233      H23L      .         .         .              109.5        ?
H23J      C233      H23L      .         .         .              109.5        ?
H23K      C233      H23L      .         .         .              109.5        ?
C261      P21       C251      .         .         .           111.2(3)        Y
C261      P21       C241      .         .         .           101.8(3)        Y
C251      P21       C241      .         .         .           103.1(3)        Y
C261      P21       RU2       .         .         .           112.5(2)        Y
C251      P21       RU2       .         .         .         111.59(18)        Y
C241      P21       RU2       .         .         .         115.96(19)        Y
C246      C241      C242      .         .         .           112.5(6)        Y
C246      C241      P21       .         .         .           112.6(5)        Y
C242      C241      P21       .         .         .           112.3(4)        Y
C246      C241      H241      .         .         .              106.3        ?
C242      C241      H241      .         .         .              106.3        ?
P21       C241      H241      .         .         .              106.3        ?
C243      C242      C241      .         .         .           109.9(5)        Y
C243      C242      H24A      .         .         .              109.7        ?
C241      C242      H24A      .         .         .              109.7        ?
C243      C242      H24B      .         .         .              109.7        ?
C241      C242      H24B      .         .         .              109.7        ?
H24A      C242      H24B      .         .         .              108.2        ?
C242      C243      C244      .         .         .           111.1(6)        Y
C242      C243      H24C      .         .         .              109.4        ?
C244      C243      H24C      .         .         .              109.4        ?
C242      C243      H24D      .         .         .              109.4        ?
C244      C243      H24D      .         .         .              109.4        ?
H24C      C243      H24D      .         .         .                108        ?
C245      C244      C243      .         .         .           110.7(6)        Y
C245      C244      H24E      .         .         .              109.5        ?
C243      C244      H24E      .         .         .              109.5        ?
C245      C244      H24F      .         .         .              109.5        ?
C243      C244      H24F      .         .         .              109.5        ?
H24E      C244      H24F      .         .         .              108.1        ?
C244      C245      C246      .         .         .           111.1(6)        Y
C244      C245      H24G      .         .         .              109.4        ?
C246      C245      H24G      .         .         .              109.4        ?
C244      C245      H24H      .         .         .              109.4        ?
C246      C245      H24H      .         .         .              109.4        ?
H24G      C245      H24H      .         .         .                108        ?
C241      C246      C245      .         .         .           110.1(6)        Y
C241      C246      H24I      .         .         .              109.6        ?
C245      C246      H24I      .         .         .              109.6        ?
C241      C246      H24J      .         .         .              109.6        ?
C245      C246      H24J      .         .         .              109.6        ?
H24I      C246      H24J      .         .         .              108.1        ?
C252      C251      C256      .         .         .           111.4(5)        Y
C252      C251      P21       .         .         .           112.9(4)        Y
C256      C251      P21       .         .         .           117.2(4)        Y
C252      C251      H251      .         .         .              104.6        ?
C256      C251      H251      .         .         .              104.6        ?
P21       C251      H251      .         .         .              104.6        ?
C251      C252      C253      .         .         .           113.4(5)        Y
C251      C252      H25A      .         .         .              108.9        ?
C253      C252      H25A      .         .         .              108.9        ?
C251      C252      H25B      .         .         .              108.9        ?
C253      C252      H25B      .         .         .              108.9        ?
H25A      C252      H25B      .         .         .              107.7        ?
C252      C253      C254      .         .         .           111.3(6)        Y
C252      C253      H25C      .         .         .              109.4        ?
C254      C253      H25C      .         .         .              109.4        ?
C252      C253      H25D      .         .         .              109.4        ?
C254      C253      H25D      .         .         .              109.4        ?
H25C      C253      H25D      .         .         .                108        ?
C255      C254      C253      .         .         .           111.3(6)        Y
C255      C254      H25E      .         .         .              109.4        ?
C253      C254      H25E      .         .         .              109.4        ?
C255      C254      H25F      .         .         .              109.4        ?
C253      C254      H25F      .         .         .              109.4        ?
H25E      C254      H25F      .         .         .                108        ?
C254      C255      C256      .         .         .           112.1(6)        Y
C254      C255      H25G      .         .         .              109.2        ?
C256      C255      H25G      .         .         .              109.2        ?
C254      C255      H25H      .         .         .              109.2        ?
C256      C255      H25H      .         .         .              109.2        ?
H25G      C255      H25H      .         .         .              107.9        ?
C255      C256      C251      .         .         .           108.2(5)        Y
C255      C256      H25I      .         .         .              110.1        ?
C251      C256      H25I      .         .         .              110.1        ?
C255      C256      H25J      .         .         .              110.1        ?
C251      C256      H25J      .         .         .              110.1        ?
H25I      C256      H25J      .         .         .              108.4        ?
C266      C261      C262      .         .         .           107.8(5)        Y
C266      C261      P21       .         .         .           116.0(5)        Y
C262      C261      P21       .         .         .           118.0(5)        Y
C266      C261      H261      .         .         .              104.5        ?
C262      C261      H261      .         .         .              104.5        ?
P21       C261      H261      .         .         .              104.5        ?
C263      C262      C261      .         .         .           111.0(6)        Y
C263      C262      H26A      .         .         .              109.4        ?
C261      C262      H26A      .         .         .              109.4        ?
C263      C262      H26B      .         .         .              109.4        ?
C261      C262      H26B      .         .         .              109.4        ?
H26A      C262      H26B      .         .         .                108        ?
C262      C263      C264      .         .         .           111.6(7)        Y
C262      C263      H26C      .         .         .              109.3        ?
C264      C263      H26C      .         .         .              109.3        ?
C262      C263      H26D      .         .         .              109.3        ?
C264      C263      H26D      .         .         .              109.3        ?
H26C      C263      H26D      .         .         .                108        ?
C265      C264      C263      .         .         .           111.8(7)        Y
C265      C264      H26E      .         .         .              109.3        ?
C263      C264      H26E      .         .         .              109.3        ?
C265      C264      H26F      .         .         .              109.3        ?
C263      C264      H26F      .         .         .              109.3        ?
H26E      C264      H26F      .         .         .              107.9        ?
C264      C265      C266      .         .         .           110.7(6)        Y
C264      C265      H26G      .         .         .              109.5        ?
C266      C265      H26G      .         .         .              109.5        ?
C264      C265      H26H      .         .         .              109.5        ?
C266      C265      H26H      .         .         .              109.5        ?
H26G      C265      H26H      .         .         .              108.1        ?
C261      C266      C265      .         .         .           110.0(6)        Y
C261      C266      H26I      .         .         .              109.7        ?
C265      C266      H26I      .         .         .              109.7        ?
C261      C266      H26J      .         .         .              109.7        ?
C265      C266      H26J      .         .         .              109.7        ?
H26I      C266      H26J      .         .         .              108.2        ?

loop_                                         
        _geom_torsion_atom_site_label_1       
        _geom_torsion_atom_site_label_2       
        _geom_torsion_atom_site_label_3       
        _geom_torsion_atom_site_label_4       
        _geom_torsion_site_symmetry_1         
        _geom_torsion_site_symmetry_2         
        _geom_torsion_site_symmetry_3         
        _geom_torsion_site_symmetry_4         
        _geom_torsion                         
        _geom_torsion_publ_flag               
C111    RU1     C11     C12     .       .       .       .           66.7(7)   Y
CL11    RU1     C11     C12     .       .       .       .          -22.0(7)   Y
CL12    RU1     C11     C12     .       .       .       .          156.9(6)   Y
P11     RU1     C11     C12     .       .       .       .         -111.5(6)   Y
RU1     C11     C12     C13     .       .       .       .        -11.00(11)   Y
RU1     C11     C12     C17     .       .       .       .          169.0(5)   Y
C17     C12     C13     C14     .       .       .       .         -1.00(11)   Y
C11     C12     C13     C14     .       .       .       .          179.1(7)   Y
C12     C13     C14     C15     .       .       .       .         -1.60(12)   Y
C13     C14     C15     C16     .       .       .       .          2.30(13)   Y
C14     C15     C16     C17     .       .       .       .         -0.50(13)   Y
C15     C16     C17     C12     .       .       .       .         -2.10(12)   Y
C13     C12     C17     C16     .       .       .       .            2.8(1)   Y
C11     C12     C17     C16     .       .       .       .         -177.2(7)   Y
C11     RU1     C111    N115    .       .       .       .           15.5(6)   Y
CL11    RU1     C111    N115    .       .       .       .          113.1(6)   Y
CL12    RU1     C111    N115    .       .       .       .          -73.6(6)   Y
P11     RU1     C111    N115    .       .       .       .         -172.1(4)   Y
C11     RU1     C111    N112    .       .       .       .         -164.1(5)   Y
CL11    RU1     C111    N112    .       .       .       .          -66.5(5)   Y
CL12    RU1     C111    N112    .       .       .       .          106.8(5)   Y
P11     RU1     C111    N112    .       .       .       .          8.30(11)   Y
N115    C111    N112    C116    .       .       .       .          171.8(5)   Y
RU1     C111    N112    C116    .       .       .       .           -8.5(8)   Y
N115    C111    N112    C113    .       .       .       .           10.3(7)   Y
RU1     C111    N112    C113    .       .       .       .         -170.1(4)   Y
C111    N112    C113    C114    .       .       .       .          -20.0(6)   Y
C116    N112    C113    C114    .       .       .       .          179.3(5)   Y
C111    N112    C113    C125    .       .       .       .          103.2(6)   Y
C116    N112    C113    C125    .       .       .       .          -57.4(7)   Y
N112    C113    C114    N115    .       .       .       .           21.0(6)   Y
C125    C113    C114    N115    .       .       .       .         -101.6(6)   Y
N112    C113    C114    C129    .       .       .       .         -103.1(5)   Y
C125    C113    C114    C129    .       .       .       .          134.3(6)   Y
N112    C111    N115    C133    .       .       .       .         -158.3(6)   Y
RU1     C111    N115    C133    .       .       .       .           22.0(9)   Y
N112    C111    N115    C114    .       .       .       .            4.9(7)   Y
RU1     C111    N115    C114    .       .       .       .         -174.8(5)   Y
C113    C114    N115    C111    .       .       .       .          -17.1(7)   Y
C129    C114    N115    C111    .       .       .       .          109.3(6)   Y
C113    C114    N115    C133    .       .       .       .          146.2(6)   Y
C129    C114    N115    C133    .       .       .       .          -87.3(7)   Y
C111    N112    C116    C121    .       .       .       .          -51.6(8)   Y
C113    N112    C116    C121    .       .       .       .          107.0(6)   Y
C111    N112    C116    C117    .       .       .       .          130.4(6)   Y
C113    N112    C116    C117    .       .       .       .          -70.9(8)   Y
C121    C116    C117    C118    .       .       .       .           -2.1(9)   Y
N112    C116    C117    C118    .       .       .       .          175.8(5)   Y
C121    C116    C117    C122    .       .       .       .          176.0(6)   Y
N112    C116    C117    C122    .       .       .       .           -6.1(9)   Y
C116    C117    C118    C119    .       .       .       .            0.0(9)   Y
C122    C117    C118    C119    .       .       .       .         -178.2(6)   Y
C117    C118    C119    C120    .       .       .       .            0.9(1)   Y
C118    C119    C120    C121    .       .       .       .            0.3(1)   Y
C119    C120    C121    C116    .       .       .       .           -2.4(1)   Y
C117    C116    C121    C120    .       .       .       .            3.4(9)   Y
N112    C116    C121    C120    .       .       .       .         -174.6(6)   Y
C118    C117    C122    C123    .       .       .       .           52.2(8)   Y
C116    C117    C122    C123    .       .       .       .         -125.9(7)   Y
C118    C117    C122    C124    .       .       .       .          -70.5(8)   Y
C116    C117    C122    C124    .       .       .       .          111.4(7)   Y
N112    C113    C125    C126    .       .       .       .          -60.7(7)   Y
C114    C113    C125    C126    .       .       .       .           54.9(7)   Y
N112    C113    C125    C127    .       .       .       .           64.4(7)   Y
C114    C113    C125    C127    .       .       .       .         -179.9(5)   Y
N112    C113    C125    C128    .       .       .       .          179.7(5)   Y
C114    C113    C125    C128    .       .       .       .          -64.7(7)   Y
N115    C114    C129    C130    .       .       .       .          -68.4(7)   Y
C113    C114    C129    C130    .       .       .       .           50.2(8)   Y
N115    C114    C129    C131    .       .       .       .          170.4(5)   Y
C113    C114    C129    C131    .       .       .       .          -71.0(7)   Y
N115    C114    C129    C132    .       .       .       .           52.5(7)   Y
C113    C114    C129    C132    .       .       .       .          171.1(5)   Y
C11     RU1     P11     C151    .       .       .       .         -109.1(3)   Y
C111    RU1     P11     C151    .       .       .       .           78.5(8)   Y
CL11    RU1     P11     C151    .       .       .       .          153.2(2)   Y
CL12    RU1     P11     C151    .       .       .       .          -19.9(2)   Y
C11     RU1     P11     C161    .       .       .       .            6.7(3)   Y
C111    RU1     P11     C161    .       .       .       .         -165.8(8)   Y
CL11    RU1     P11     C161    .       .       .       .          -91.1(2)   Y
CL12    RU1     P11     C161    .       .       .       .           95.9(2)   Y
C11     RU1     P11     C141    .       .       .       .          124.5(3)   Y
C111    RU1     P11     C141    .       .       .       .          -47.9(8)   Y
CL11    RU1     P11     C141    .       .       .       .           26.8(2)   Y
CL12    RU1     P11     C141    .       .       .       .         -146.3(2)   Y
C151    P11     C141    C146    .       .       .       .           64.2(6)   Y
C161    P11     C141    C146    .       .       .       .          -42.2(6)   Y
RU1     P11     C141    C146    .       .       .       .         -167.8(5)   Y
C151    P11     C141    C142    .       .       .       .          -64.1(5)   Y
C161    P11     C141    C142    .       .       .       .         -170.4(4)   Y
RU1     P11     C141    C142    .       .       .       .           63.9(5)   Y
C146    C141    C142    C143    .       .       .       .           56.8(7)   Y
P11     C141    C142    C143    .       .       .       .         -171.1(5)   Y
C141    C142    C143    C144    .       .       .       .          -55.9(9)   Y
C142    C143    C144    C145    .       .       .       .           56.7(9)   Y
C143    C144    C145    C146    .       .       .       .          -57.8(8)   Y
C144    C145    C146    C141    .       .       .       .           58.5(8)   Y
C142    C141    C146    C145    .       .       .       .          -57.8(8)   Y
P11     C141    C146    C145    .       .       .       .          173.0(5)   Y
C161    P11     C151    C152    .       .       .       .           49.9(5)   Y
C141    P11     C151    C152    .       .       .       .          -57.9(5)   Y
RU1     P11     C151    C152    .       .       .       .          174.8(4)   Y
C161    P11     C151    C156    .       .       .       .          179.8(4)   Y
C141    P11     C151    C156    .       .       .       .           71.9(5)   Y
RU1     P11     C151    C156    .       .       .       .          -55.4(5)   Y
C156    C151    C152    C153    .       .       .       .           61.1(7)   Y
P11     C151    C152    C153    .       .       .       .         -165.3(5)   Y
C151    C152    C153    C154    .       .       .       .          -58.0(8)   Y
C152    C153    C154    C155    .       .       .       .           53.0(8)   Y
C153    C154    C155    C156    .       .       .       .          -53.1(7)   Y
C154    C155    C156    C151    .       .       .       .           57.2(7)   Y
C152    C151    C156    C155    .       .       .       .          -60.3(6)   Y
P11     C151    C156    C155    .       .       .       .          165.1(4)   Y
C151    P11     C161    C162    .       .       .       .           54.4(5)   Y
C141    P11     C161    C162    .       .       .       .          168.5(4)   Y
RU1     P11     C161    C162    .       .       .       .          -68.5(5)   Y
C151    P11     C161    C166    .       .       .       .         -178.7(4)   Y
C141    P11     C161    C166    .       .       .       .          -64.7(5)   Y
RU1     P11     C161    C166    .       .       .       .           58.3(5)   Y
C166    C161    C162    C163    .       .       .       .           55.9(7)   Y
P11     C161    C162    C163    .       .       .       .         -176.7(4)   Y
C161    C162    C163    C164    .       .       .       .          -55.5(7)   Y
C162    C163    C164    C165    .       .       .       .           54.8(8)   Y
C163    C164    C165    C166    .       .       .       .          -55.5(8)   Y
C164    C165    C166    C161    .       .       .       .           55.0(7)   Y
C162    C161    C166    C165    .       .       .       .          -55.1(7)   Y
P11     C161    C166    C165    .       .       .       .          176.2(4)   Y
C211    RU2     C21     C22     .       .       .       .           69.6(7)   Y
CL22    RU2     C21     C22     .       .       .       .          -19.0(6)   Y
CL21    RU2     C21     C22     .       .       .       .          158.9(6)   Y
P21     RU2     C21     C22     .       .       .       .         -108.0(6)   Y
RU2     C21     C22     C23     .       .       .       .           -8.1(1)   Y
RU2     C21     C22     C27     .       .       .       .          171.4(5)   Y
C27     C22     C23     C24     .       .       .       .           -0.9(1)   Y
C21     C22     C23     C24     .       .       .       .          178.6(6)   Y
C22     C23     C24     C25     .       .       .       .         -0.10(11)   Y
C23     C24     C25     C26     .       .       .       .          0.70(12)   Y
C24     C25     C26     C27     .       .       .       .         -0.20(12)   Y
C25     C26     C27     C22     .       .       .       .         -0.90(11)   Y
C23     C22     C27     C26     .       .       .       .            1.4(1)   Y
C21     C22     C27     C26     .       .       .       .         -178.1(6)   Y
C21     RU2     C211    N215    .       .       .       .           13.5(6)   Y
CL22    RU2     C211    N215    .       .       .       .          111.5(6)   Y
CL21    RU2     C211    N215    .       .       .       .          -76.0(6)   Y
P21     RU2     C211    N215    .       .       .       .         -176.1(4)   Y
C21     RU2     C211    N212    .       .       .       .         -162.9(5)   Y
CL22    RU2     C211    N212    .       .       .       .          -64.9(5)   Y
CL21    RU2     C211    N212    .       .       .       .          107.6(5)   Y
P21     RU2     C211    N212    .       .       .       .          7.50(11)   Y
N215    C211    N212    C216    .       .       .       .          171.2(5)   Y
RU2     C211    N212    C216    .       .       .       .          -11.7(8)   Y
N215    C211    N212    C213    .       .       .       .           10.5(7)   Y
RU2     C211    N212    C213    .       .       .       .         -172.4(4)   Y
C211    N212    C213    C214    .       .       .       .          -19.8(6)   Y
C216    N212    C213    C214    .       .       .       .         -179.6(5)   Y
C211    N212    C213    C225    .       .       .       .          103.5(6)   Y
C216    N212    C213    C225    .       .       .       .          -56.3(7)   Y
N212    C213    C214    N215    .       .       .       .           20.3(6)   Y
C225    C213    C214    N215    .       .       .       .         -102.9(5)   Y
N212    C213    C214    C229    .       .       .       .         -103.9(5)   Y
C225    C213    C214    C229    .       .       .       .          132.8(6)   Y
N212    C211    N215    C233    .       .       .       .         -158.8(5)   Y
RU2     C211    N215    C233    .       .       .       .           24.5(9)   Y
N212    C211    N215    C214    .       .       .       .            4.4(7)   Y
RU2     C211    N215    C214    .       .       .       .         -172.3(4)   Y
C213    C214    N215    C211    .       .       .       .          -16.5(7)   Y
C229    C214    N215    C211    .       .       .       .          110.9(6)   Y
C213    C214    N215    C233    .       .       .       .          146.9(5)   Y
C229    C214    N215    C233    .       .       .       .          -85.7(6)   Y
C211    N212    C216    C221    .       .       .       .          -52.3(8)   Y
C213    N212    C216    C221    .       .       .       .          105.5(6)   Y
C211    N212    C216    C217    .       .       .       .          128.2(6)   Y
C213    N212    C216    C217    .       .       .       .          -73.9(8)   Y
C221    C216    C217    C218    .       .       .       .           -2.8(8)   Y
N212    C216    C217    C218    .       .       .       .          176.6(5)   Y
C221    C216    C217    C222    .       .       .       .          177.4(6)   Y
N212    C216    C217    C222    .       .       .       .           -3.2(9)   Y
C216    C217    C218    C219    .       .       .       .            1.6(9)   Y
C222    C217    C218    C219    .       .       .       .         -178.5(6)   Y
C217    C218    C219    C220    .       .       .       .            0.1(1)   Y
C218    C219    C220    C221    .       .       .       .           -0.6(9)   Y
C219    C220    C221    C216    .       .       .       .           -0.6(9)   Y
C217    C216    C221    C220    .       .       .       .            2.4(9)   Y
N212    C216    C221    C220    .       .       .       .         -177.0(5)   Y
C216    C217    C222    C224    .       .       .       .         -127.9(7)   Y
C218    C217    C222    C224    .       .       .       .           52.3(9)   Y
C216    C217    C222    C223    .       .       .       .          108.2(7)   Y
C218    C217    C222    C223    .       .       .       .          -71.6(7)   Y
N212    C213    C225    C226    .       .       .       .          -58.4(7)   Y
C214    C213    C225    C226    .       .       .       .           57.1(6)   Y
N212    C213    C225    C228    .       .       .       .           65.4(7)   Y
C214    C213    C225    C228    .       .       .       .         -179.1(5)   Y
N212    C213    C225    C227    .       .       .       .         -178.4(5)   Y
C214    C213    C225    C227    .       .       .       .          -62.9(7)   Y
N215    C214    C229    C230    .       .       .       .           52.3(6)   Y
C213    C214    C229    C230    .       .       .       .          171.2(5)   Y
N215    C214    C229    C232    .       .       .       .          170.2(5)   Y
C213    C214    C229    C232    .       .       .       .          -70.9(6)   Y
N215    C214    C229    C231    .       .       .       .          -68.3(7)   Y
C213    C214    C229    C231    .       .       .       .           50.6(7)   Y
C21     RU2     P21     C261    .       .       .       .         -104.3(3)   Y
C211    RU2     P21     C261    .       .       .       .           85.3(8)   Y
CL22    RU2     P21     C261    .       .       .       .          157.7(3)   Y
CL21    RU2     P21     C261    .       .       .       .          -14.3(3)   Y
C21     RU2     P21     C251    .       .       .       .          129.9(3)   Y
C211    RU2     P21     C251    .       .       .       .          -40.5(8)   Y
CL22    RU2     P21     C251    .       .       .       .           31.9(2)   Y
CL21    RU2     P21     C251    .       .       .       .         -140.1(2)   Y
C21     RU2     P21     C241    .       .       .       .           12.3(3)   Y
C211    RU2     P21     C241    .       .       .       .         -158.1(7)   Y
CL22    RU2     P21     C241    .       .       .       .          -85.7(2)   Y
CL21    RU2     P21     C241    .       .       .       .          102.2(2)   Y
C261    P21     C241    C246    .       .       .       .           55.5(5)   Y
C251    P21     C241    C246    .       .       .       .          170.8(4)   Y
RU2     P21     C241    C246    .       .       .       .          -66.9(5)   Y
C261    P21     C241    C242    .       .       .       .         -176.3(5)   Y
C251    P21     C241    C242    .       .       .       .          -61.0(5)   Y
RU2     P21     C241    C242    .       .       .       .           61.3(5)   Y
C246    C241    C242    C243    .       .       .       .          -56.9(7)   Y
P21     C241    C242    C243    .       .       .       .          174.8(5)   Y
C241    C242    C243    C244    .       .       .       .           56.5(8)   Y
C242    C243    C244    C245    .       .       .       .          -57.2(8)   Y
C243    C244    C245    C246    .       .       .       .           55.9(8)   Y
C242    C241    C246    C245    .       .       .       .           55.8(7)   Y
P21     C241    C246    C245    .       .       .       .         -176.1(5)   Y
C244    C245    C246    C241    .       .       .       .          -55.2(8)   Y
C261    P21     C251    C252    .       .       .       .          -69.5(5)   Y
C241    P21     C251    C252    .       .       .       .         -177.9(4)   Y
RU2     P21     C251    C252    .       .       .       .           57.0(5)   Y
C261    P21     C251    C256    .       .       .       .           62.0(6)   Y
C241    P21     C251    C256    .       .       .       .          -46.4(5)   Y
RU2     P21     C251    C256    .       .       .       .         -171.5(4)   Y
C256    C251    C252    C253    .       .       .       .           54.7(7)   Y
P21     C251    C252    C253    .       .       .       .         -171.0(5)   Y
C251    C252    C253    C254    .       .       .       .          -52.5(8)   Y
C252    C253    C254    C255    .       .       .       .           53.2(9)   Y
C253    C254    C255    C256    .       .       .       .          -57.5(8)   Y
C254    C255    C256    C251    .       .       .       .           57.8(8)   Y
C252    C251    C256    C255    .       .       .       .          -55.6(8)   Y
P21     C251    C256    C255    .       .       .       .          172.3(5)   Y
C251    P21     C261    C266    .       .       .       .           65.2(6)   Y
C241    P21     C261    C266    .       .       .       .          174.5(5)   Y
RU2     P21     C261    C266    .       .       .       .          -60.7(6)   Y
C251    P21     C261    C262    .       .       .       .          -64.8(6)   Y
C241    P21     C261    C262    .       .       .       .           44.4(6)   Y
RU2     P21     C261    C262    .       .       .       .          169.2(5)   Y
C266    C261    C262    C263    .       .       .       .           59.9(9)   Y
P21     C261    C262    C263    .       .       .       .         -166.4(6)   Y
C261    C262    C263    C264    .       .       .       .          -56.2(1)   Y
C262    C263    C264    C265    .       .       .       .         53.40(11)   Y
C263    C264    C265    C266    .       .       .       .          -54.3(1)   Y
C262    C261    C266    C265    .       .       .       .          -60.7(8)   Y
P21     C261    C266    C265    .       .       .       .          164.5(5)   Y
C264    C265    C266    C261    .       .       .       .           59.2(8)   Y



_diffrn_measured_fraction_theta_max    0.974 
_diffrn_reflns_theta_full              66.64 
_diffrn_measured_fraction_theta_full   0.974 
_refine_diff_density_max    1.191 
_refine_diff_density_min   -0.547 
_refine_diff_density_rms    0.110 
