 
data_complex_3
 
_audit_creation_method            'SHELXL-2016/6'
_shelx_SHELXL_version_number      '2016/6'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C108 H95 Au2 F10 N O6 P6 Pt S2' 
_chemical_formula_weight          2531.81

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 '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'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'S'  'S'   0.1246   0.1234
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pt'  'Pt'  -1.7033   8.3905
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Au'  'Au'  -2.0133   8.8022
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       triclinic
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    19.7599(15)
_cell_length_b                    21.8031(17)
_cell_length_c                    27.455(2)
_cell_angle_alpha                 101.252(3)
_cell_angle_beta                  109.514(2)
_cell_angle_gamma                 90.139(3)
_cell_volume                      10905.4(15)
_cell_formula_units_Z             4
_cell_measurement_temperature     150(2)
_cell_measurement_reflns_used     9731
_cell_measurement_theta_min       2.28
_cell_measurement_theta_max       25.20
 
_exptl_crystal_description        plate
_exptl_crystal_colour             yellow
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.542          
_exptl_crystal_F_000              4984
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.120
_exptl_crystal_size_mid           0.080
_exptl_crystal_size_min           0.040
_exptl_absorpt_coefficient_mu     4.158
_shelx_estimated_absorpt_T_min    0.635
_shelx_estimated_absorpt_T_max    0.851
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.5510
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       150(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             118068
_diffrn_reflns_av_unetI/netI      0.0680
_diffrn_reflns_av_R_equivalents   0.0558
_diffrn_reflns_limit_h_min        -23
_diffrn_reflns_limit_h_max        23
_diffrn_reflns_limit_k_min        -26
_diffrn_reflns_limit_k_max        26
_diffrn_reflns_limit_l_min        -33
_diffrn_reflns_limit_l_max        31
_diffrn_reflns_theta_min          2.262
_diffrn_reflns_theta_max          25.453
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.986
_diffrn_measured_fraction_theta_full  0.990
_diffrn_reflns_Laue_measured_fraction_max    0.986
_diffrn_reflns_Laue_measured_fraction_full   0.990
_diffrn_reflns_point_group_measured_fraction_max   0.986
_diffrn_reflns_point_group_measured_fraction_full  0.990
_reflns_number_total              39813
_reflns_number_gt                 28116
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
  _platon_squeeze_void_content
   1  0.427  1.083  0.645       481       108 ' '
   2  0.000  0.500  0.500       290       117 ' '
   3 -0.427 -0.083  0.355       480       107 ' '
   4  0.138  0.275  0.871       122        27 ' '
   5  0.187  0.694  0.538         7        -1 ' '
   6  0.274  0.685  0.593         6         0 ' '
   7  0.337  0.653  0.576         7         0 ' '
   8  0.422  0.190  0.295         9         0 ' '
   9  0.578  0.810  0.705         9         0 ' '
  10  0.673  0.343  0.421         9        -1 ' '
  11  0.740  0.309  0.407         5         0 ' '
  12  0.862  0.725  0.129       123        27 ' '
  13  0.816  0.305  0.464         7        -1 ' '
_platon_squeeze_void_probe_radius                  1.20
_platon_squeeze_details                           ? 

_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1253P)²+212.4620P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          39813
_refine_ls_number_parameters      2470
_refine_ls_number_restraints      1328
_refine_ls_R_factor_all           0.1315
_refine_ls_R_factor_gt            0.1011
_refine_ls_wR_factor_ref          0.2894
_refine_ls_wR_factor_gt           0.2699
_refine_ls_goodness_of_fit_ref    1.053
_refine_ls_restrained_S_all       1.055
_refine_ls_shift/su_max           0.006
_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_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Au1 Au 0.05551(3) -0.08568(2) -0.25308(2) 0.06753(14) Uani 1 1 d . . . . .
Au2 Au 0.34458(3) -0.07613(3) -0.27246(2) 0.08010(17) Uani 1 1 d . . . . .
Au3 Au 0.60950(2) -0.41910(2) -0.19908(2) 0.05847(12) Uani 1 1 d . . . . .
Au4 Au 0.87291(2) -0.46267(2) -0.25484(2) 0.05873(12) Uani 1 1 d . . . . .
Pt1 Pt 0.20482(2) -0.05429(2) -0.25552(2) 0.05656(12) Uani 1 1 d . . . . .
Pt2 Pt 0.73379(2) -0.46702(2) -0.23363(2) 0.04986(11) Uani 1 1 d . . . . .
S1 S 0.4003(2) 0.29934(16) 0.42170(15) 0.0816(11) Uani 1 1 d . . . . .
S2 S 0.0465(3) -0.20395(18) -0.49479(15) 0.1134(18) Uani 1 1 d D . . . .
S3 S 0.6558(2) 0.23323(15) 0.06765(15) 0.0783(11) Uani 1 1 d . . . . .
S4 S 0.0591(2) 0.2701(2) 0.00276(17) 0.289(2) Uani 1 1 d D U . . .
P1 P 0.09848(16) -0.12031(14) -0.17432(13) 0.0620(9) Uani 1 1 d . . . . .
P2 P 0.24962(15) -0.07604(13) -0.17245(12) 0.0567(8) Uani 1 1 d . . . . .
P3 P 0.39799(17) -0.08961(17) -0.18652(14) 0.0714(10) Uani 1 1 d . . . . .
P4 P 0.00529(19) -0.05808(17) -0.33437(14) 0.0755(11) Uani 1 1 d . . . . .
P5 P 0.15399(18) -0.04706(14) -0.34298(13) 0.0662(10) Uani 1 1 d . . . . .
P6 P 0.2950(2) -0.0733(2) -0.36045(17) 0.0899(13) Uani 1 1 d . . . . .
P7 P 0.54270(15) -0.41688(16) -0.28594(12) 0.0601(8) Uani 1 1 d . . . . .
P8 P 0.67751(14) -0.45007(13) -0.31778(11) 0.0506(7) Uani 1 1 d . . . . .
P9 P 0.82407(15) -0.42675(14) -0.33227(11) 0.0543(7) Uani 1 1 d . . . . .
P10 P 0.67382(16) -0.41140(15) -0.11002(12) 0.0590(8) Uani 1 1 d . . . . .
P11 P 0.79603(16) -0.46868(15) -0.14569(12) 0.0588(8) Uani 1 1 d . . . . .
P12 P 0.93262(16) -0.48544(16) -0.17304(13) 0.0636(9) Uani 1 1 d . . . . .
F1 F 0.1453(8) 0.3432(7) -0.2412(5) 0.170(4) Uani 1 1 d . U . . .
F2 F 0.0656(8) 0.3446(7) -0.3418(6) 0.186(4) Uani 1 1 d . U . . .
F3 F 0.3280(8) 0.2694(7) -0.3053(5) 0.174(4) Uani 1 1 d . U . . .
F4 F 0.2418(9) 0.2654(7) -0.4026(5) 0.181(4) Uani 1 1 d . U . . .
F5 F 0.6864(8) -0.7940(8) -0.1768(7) 0.196(7) Uani 1 1 d . . . . .
F6 F 0.7949(12) -0.7956(8) -0.0886(6) 0.220(8) Uani 1 1 d . . . . .
F7 F 0.9326(8) -0.8900(6) -0.1867(6) 0.173(6) Uani 1 1 d . . . . .
F8 F 0.8296(8) -0.8852(6) -0.2766(6) 0.175(6) Uani 1 1 d . . . . .
F9 F 0.4531(7) 0.3008(6) 0.5229(4) 0.153(5) Uani 1 1 d . . . . .
F10 F 0.3916(8) 0.2131(6) 0.4710(6) 0.177(6) Uani 1 1 d . . . . .
F11 F 0.3391(8) 0.2921(9) 0.4903(7) 0.221(7) Uani 1 1 d . . . . .
F12 F 0.1418(10) -0.2395(16) -0.5299(11) 0.464(19) Uani 1 1 d . . . . .
F13 F 0.0619(14) -0.3069(7) -0.5439(8) 0.301(12) Uani 1 1 d . . . . .
F14 F 0.0387(9) -0.2407(8) -0.5900(5) 0.181(6) Uani 1 1 d . . . . .
F15 F 0.7525(11) 0.2385(11) 0.0230(7) 0.293(8) Uani 1 1 d . . . . .
F16 F 0.6854(8) 0.3190(5) 0.0226(5) 0.164(5) Uani 1 1 d . . . . .
F17 F 0.6293(13) 0.2360(8) -0.0287(5) 0.252(10) Uani 1 1 d . . . . .
F18 F 0.0006(5) 0.1733(2) 0.0161(3) 0.321(5) Uani 1 1 d D U . . .
F19 F 0.0298(5) 0.2493(4) 0.08274(19) 0.324(5) Uani 1 1 d D U . . .
F20 F -0.0617(3) 0.2532(4) 0.0151(3) 0.317(5) Uani 1 1 d D U . . .
O1 O 0.4635(8) 0.2736(10) 0.4153(7) 0.211(7) Uani 1 1 d . . . . .
O2 O 0.4051(9) 0.3654(5) 0.4357(5) 0.175(7) Uani 1 1 d . . . . .
O3 O 0.3384(7) 0.2690(5) 0.3787(5) 0.123(5) Uani 1 1 d . . . . .
O4 O 0.0882(9) -0.2182(5) -0.4449(5) 0.155(7) Uani 1 1 d . . . . .
O5 O 0.0606(9) -0.1384(6) -0.4950(5) 0.166(7) Uani 1 1 d . . . . .
O6 O -0.0317(9) -0.2280(7) -0.5129(7) 0.165(7) Uani 1 1 d . . . . .
O7 O 0.7122(7) 0.2557(6) 0.1156(5) 0.133(5) Uani 1 1 d . . . . .
O8 O 0.6477(9) 0.1673(5) 0.0533(5) 0.139(6) Uani 1 1 d . . . . .
O9 O 0.5916(7) 0.2653(8) 0.0648(8) 0.183(8) Uani 1 1 d . . . . .
O10 O 0.0640(5) 0.3338(2) 0.0236(4) 0.310(5) Uani 1 1 d D U . . .
O11 O 0.1238(3) 0.2407(4) 0.0170(3) 0.308(5) Uani 1 1 d D U . . .
O12 O 0.0201(5) 0.2538(4) -0.05247(19) 0.306(5) Uani 1 1 d D U . . .
N1 N 0.2845(7) 0.3121(5) -0.2163(4) 0.093(4) Uani 1 1 d . . . . .
N2 N 0.6982(3) -0.8372(5) -0.2769(2) 0.125(3) Uani 1 1 d . U . . .
C1 C 0.3302(6) -0.1185(5) -0.1633(5) 0.063(3) Uani 1 1 d . . . . .
H1A H 0.315640 -0.162737 -0.181637 0.076 Uiso 1 1 calc R U . . .
H1B H 0.352849 -0.117931 -0.125138 0.076 Uiso 1 1 calc R U . . .
C2 C 0.1919(6) -0.1358(5) -0.1630(5) 0.060(3) Uani 1 1 d . . . . .
H2A H 0.193183 -0.175894 -0.186803 0.072 Uiso 1 1 calc R U . . .
H2B H 0.213383 -0.141998 -0.126301 0.072 Uiso 1 1 calc R U . . .
C3 C 0.0530(7) -0.1970(6) -0.1805(5) 0.069(4) Uani 1 1 d . . . . .
C4 C -0.0213(7) -0.2003(7) -0.1919(6) 0.081(4) Uani 1 1 d . . . . .
C5 C -0.0519(8) -0.2632(7) -0.1979(6) 0.093(5) Uani 1 1 d . . . . .
H5 H -0.101722 -0.269206 -0.203201 0.111 Uiso 1 1 calc R U . . .
C6 C -0.0106(10) -0.3150(8) -0.1961(6) 0.101(6) Uani 1 1 d . . . . .
H6 H -0.032223 -0.356171 -0.203139 0.121 Uiso 1 1 calc R U . . .
C7 C 0.0574(8) -0.3054(7) -0.1848(5) 0.085(5) Uani 1 1 d . . . . .
H7 H 0.084972 -0.341053 -0.181878 0.102 Uiso 1 1 calc R U . . .
C8 C 0.0937(8) -0.2502(6) -0.1767(5) 0.072(4) Uani 1 1 d . . . . .
H8 H 0.144349 -0.246888 -0.168701 0.087 Uiso 1 1 calc R U . . .
C9 C -0.0627(8) -0.1386(10) -0.1952(11) 0.163(11) Uani 1 1 d . . . . .
H9A H -0.100553 -0.140040 -0.179686 0.245 Uiso 1 1 calc R U . . .
H9B H -0.084435 -0.135519 -0.232305 0.245 Uiso 1 1 calc R U . . .
H9C H -0.028874 -0.102080 -0.175789 0.245 Uiso 1 1 calc R U . . .
C10 C 0.0890(7) -0.0667(6) -0.1180(5) 0.071(4) Uani 1 1 d . . . . .
C11 C 0.1115(8) -0.0768(6) -0.0688(7) 0.088(5) Uani 1 1 d . . . . .
C12 C 0.0933(9) -0.0301(9) -0.0282(6) 0.103(6) Uani 1 1 d . . . . .
H12A H 0.104913 -0.037160 0.006632 0.124 Uiso 1 1 calc R U . . .
C13 C 0.0610(8) 0.0218(8) -0.0401(6) 0.093(5) Uani 1 1 d . . . . .
H13 H 0.049702 0.050442 -0.013583 0.112 Uiso 1 1 calc R U . . .
C14 C 0.0440(8) 0.0342(7) -0.0892(7) 0.098(6) Uani 1 1 d . . . . .
H14 H 0.023810 0.072350 -0.096449 0.118 Uiso 1 1 calc R U . . .
C15 C 0.0568(8) -0.0108(7) -0.1293(6) 0.090(5) Uani 1 1 d . . . . .
H15 H 0.043756 -0.003382 -0.164135 0.108 Uiso 1 1 calc R U . . .
C16 C 0.1477(9) -0.1357(7) -0.0515(6) 0.099(5) Uani 1 1 d . . . . .
H16A H 0.151363 -0.134839 -0.014833 0.149 Uiso 1 1 calc R U . . .
H16B H 0.195976 -0.135964 -0.054052 0.149 Uiso 1 1 calc R U . . .
H16C H 0.118654 -0.173499 -0.074473 0.149 Uiso 1 1 calc R U . . .
C17 C 0.2629(6) -0.0160(5) -0.1136(5) 0.065(4) Uani 1 1 d . . . . .
C18 C 0.3048(7) -0.0285(6) -0.0647(6) 0.077(4) Uani 1 1 d . . . . .
H18 H 0.332660 -0.063953 -0.062726 0.092 Uiso 1 1 calc R U . . .
C19 C 0.3043(9) 0.0144(7) -0.0168(6) 0.095(5) Uani 1 1 d . . . . .
H19 H 0.331985 0.006856 0.016888 0.114 Uiso 1 1 calc R U . . .
C20 C 0.2649(9) 0.0646(7) -0.0201(7) 0.093(5) Uani 1 1 d . . . . .
H20 H 0.265585 0.092986 0.011116 0.111 Uiso 1 1 calc R U . . .
C21 C 0.2232(10) 0.0747(7) -0.0694(7) 0.108(7) Uani 1 1 d . . . . .
H21 H 0.194329 0.109513 -0.071815 0.130 Uiso 1 1 calc R U . . .
C22 C 0.2233(7) 0.0357(6) -0.1135(6) 0.074(4) Uani 1 1 d . . . . .
H22 H 0.194474 0.044241 -0.146494 0.089 Uiso 1 1 calc R U . . .
C23 C 0.4452(7) -0.0195(7) -0.1380(7) 0.091(5) Uani 1 1 d . . . . .
C24 C 0.4886(9) -0.0225(10) -0.0855(8) 0.125(8) Uani 1 1 d . . . . .
C25 C 0.5260(10) 0.0390(10) -0.0560(9) 0.138(9) Uani 1 1 d . . . . .
H25 H 0.560827 0.040462 -0.022058 0.165 Uiso 1 1 calc R U . . .
C26 C 0.5151(11) 0.0947(12) -0.0732(10) 0.149(10) Uani 1 1 d . . . . .
H26 H 0.537392 0.133423 -0.050622 0.178 Uiso 1 1 calc R U . . .
C27 C 0.4694(14) 0.0918(11) -0.1258(12) 0.189(12) Uani 1 1 d . . . . .
H27 H 0.461566 0.128653 -0.139892 0.227 Uiso 1 1 calc R U . . .
C28 C 0.4361(11) 0.0344(8) -0.1566(9) 0.136(9) Uani 1 1 d . . . . .
H28 H 0.405767 0.032775 -0.192017 0.163 Uiso 1 1 calc R U . . .
C29 C 0.5075(11) -0.0789(10) -0.0652(8) 0.149(8) Uani 1 1 d . . . . .
H29A H 0.533914 -0.067547 -0.027117 0.223 Uiso 1 1 calc R U . . .
H29B H 0.537943 -0.102306 -0.082977 0.223 Uiso 1 1 calc R U . . .
H29C H 0.463656 -0.104898 -0.071762 0.223 Uiso 1 1 calc R U . . .
C30 C 0.4642(6) -0.1511(7) -0.1822(6) 0.079(4) Uani 1 1 d . . . . .
C31 C 0.5239(7) -0.1432(4) -0.1927(4) 0.094(5) Uani 1 1 d D . . . .
C32 C 0.5714(8) -0.1910(9) -0.1876(8) 0.110(6) Uani 1 1 d . . . . .
H32 H 0.613009 -0.188096 -0.197188 0.132 Uiso 1 1 calc R U . . .
C33 C 0.5591(10) -0.2392(10) -0.1698(8) 0.128(8) Uani 1 1 d . . . . .
H33 H 0.594051 -0.269340 -0.164030 0.154 Uiso 1 1 calc R U . . .
C34 C 0.5002(9) -0.2478(10) -0.1595(7) 0.118(6) Uani 1 1 d . . . . .
H34 H 0.491549 -0.285510 -0.149446 0.142 Uiso 1 1 calc R U . . .
C35 C 0.4501(9) -0.2032(7) -0.1631(7) 0.099(6) Uani 1 1 d . . . . .
H35 H 0.408948 -0.207566 -0.153164 0.118 Uiso 1 1 calc R U . . .
C36 C 0.5350(8) -0.0873(4) -0.2144(5) 0.147(9) Uani 1 1 d D . . . .
H36A H 0.529605 -0.048919 -0.191010 0.176 Uiso 1 1 calc R U . . .
H36B H 0.499202 -0.090555 -0.249698 0.176 Uiso 1 1 calc R U . . .
H36C H 0.583464 -0.085980 -0.216595 0.176 Uiso 1 1 calc R U . . .
C37 C 0.0621(7) -0.0838(6) -0.3712(5) 0.070(4) Uani 1 1 d . . . . .
H37A H 0.039968 -0.075603 -0.407150 0.084 Uiso 1 1 calc R U . . .
H37B H 0.064448 -0.129733 -0.374619 0.084 Uiso 1 1 calc R U . . .
C38 C 0.1992(7) -0.0967(7) -0.3837(5) 0.078(4) Uani 1 1 d . . . . .
H38A H 0.192343 -0.141117 -0.381928 0.094 Uiso 1 1 calc R U . . .
H38B H 0.177208 -0.092929 -0.420953 0.094 Uiso 1 1 calc R U . . .
C39 C -0.0833(2) -0.09554(9) -0.37373(9) 0.118(3) Uani 1 1 d D U . . .
C40 C -0.1437(2) -0.08116(6) -0.35990(6) 0.130(3) Uani 1 1 d D U . . .
C41 C -0.2104(2) -0.11064(9) -0.39168(9) 0.138(3) Uani 1 1 d D U . . .
H41 H -0.251771 -0.100772 -0.382253 0.165 Uiso 1 1 calc R U . . .
C42 C -0.2168(2) -0.1545(2) -0.43716(17) 0.136(3) Uani 1 1 d D U . . .
H42 H -0.262507 -0.174740 -0.458839 0.164 Uiso 1 1 calc R U . . .
C43 C -0.1566(2) -0.1688(2) -0.45108(18) 0.129(3) Uani 1 1 d D U . . .
H43 H -0.161106 -0.198783 -0.482352 0.155 Uiso 1 1 calc R U . . .
C44 C -0.0898(2) -0.1394(2) -0.41937(17) 0.122(3) Uani 1 1 d D U . . .
H44 H -0.048529 -0.149232 -0.428900 0.146 Uiso 1 1 calc R U . . .
C45 C -0.1421(10) -0.0348(3) -0.3118(3) 0.143(5) Uani 1 1 d . U . . .
H45A H -0.190455 -0.033496 -0.309425 0.214 Uiso 1 1 calc R U . . .
H45B H -0.125764 0.006800 -0.313862 0.214 Uiso 1 1 calc R U . . .
H45C H -0.108854 -0.047176 -0.280370 0.214 Uiso 1 1 calc R U . . .
C46 C -0.00445(10) 0.0219(2) -0.32869(12) 0.141(3) Uani 1 1 d D U . . .
C47 C -0.03354(6) 0.0563(2) -0.36685(8) 0.142(3) Uani 1 1 d D U . . .
C48 C -0.03529(9) 0.1195(2) -0.35791(11) 0.154(3) Uani 1 1 d D U . . .
H48 H -0.057020 0.137538 -0.387741 0.185 Uiso 1 1 calc R U . . .
C49 C -0.0078(3) 0.1608(2) -0.30831(19) 0.161(3) Uani 1 1 d D U . . .
H49 H -0.009367 0.205119 -0.302728 0.193 Uiso 1 1 calc R U . . .
C50 C 0.0240(3) 0.1254(2) -0.26599(18) 0.157(3) Uani 1 1 d D U . . .
H50 H 0.045258 0.144821 -0.229727 0.189 Uiso 1 1 calc R U . . .
C51 C 0.0198(3) 0.0622(2) -0.2843(2) 0.150(3) Uani 1 1 d D U . . .
H51 H 0.041030 0.041572 -0.255972 0.180 Uiso 1 1 calc R U . . .
C52 C -0.0680(3) 0.0209(8) -0.4262(4) 0.131(5) Uani 1 1 d . U . . .
H52A H -0.053701 0.043884 -0.448912 0.196 Uiso 1 1 calc R U . . .
H52B H -0.120605 0.018135 -0.436297 0.196 Uiso 1 1 calc R U . . .
H52C H -0.051255 -0.021467 -0.430313 0.196 Uiso 1 1 calc R U . . .
C53 C 0.1433(9) 0.0263(6) -0.3687(6) 0.085(5) Uani 1 1 d . . . . .
C54 C 0.1221(9) 0.0224(7) -0.4218(6) 0.108(6) Uani 1 1 d . . . . .
H54 H 0.115103 -0.017588 -0.444717 0.130 Uiso 1 1 calc R U . . .
C55 C 0.1108(12) 0.0752(8) -0.4427(9) 0.145(9) Uani 1 1 d . . . . .
H55 H 0.103411 0.073741 -0.478891 0.174 Uiso 1 1 calc R U . . .
C56 C 0.1105(15) 0.1318(9) -0.4077(9) 0.210(11) Uani 1 1 d . . . . .
H56 H 0.091009 0.166858 -0.421877 0.251 Uiso 1 1 calc R U . . .
C57 C 0.1368(13) 0.1378(7) -0.3553(7) 0.142(9) Uani 1 1 d . . . . .
H57 H 0.143365 0.177597 -0.332133 0.170 Uiso 1 1 calc R U . . .
C58 C 0.1550(12) 0.0806(6) -0.3353(8) 0.162(10) Uani 1 1 d . . . . .
H58 H 0.175199 0.082513 -0.298386 0.195 Uiso 1 1 calc R U . . .
C59 C 0.3318(3) -0.1278(2) -0.39943(15) 0.1334(3) Uani 1 1 d D U . . .
C60 C 0.4015(3) -0.11744(14) -0.39932(10) 0.1335(3) Uani 1 1 d D U . . .
C61 C 0.4292(4) -0.1606(2) -0.43064(14) 0.1335(3) Uani 1 1 d D U . . .
H61 H 0.476711 -0.153392 -0.430465 0.160 Uiso 1 1 calc R U . . .
C62 C 0.3872(3) -0.2144(3) -0.4623(3) 0.1335(3) Uani 1 1 d D U . . .
H62 H 0.406149 -0.244072 -0.483720 0.160 Uiso 1 1 calc R U . . .
C63 C 0.3175(3) -0.2249(4) -0.4626(3) 0.1335(3) Uani 1 1 d D U . . .
H63 H 0.288559 -0.261351 -0.484527 0.160 Uiso 1 1 calc R U . . .
C64 C 0.2903(4) -0.1818(3) -0.4308(3) 0.1334(3) Uani 1 1 d D U . . .
H64 H 0.243039 -0.189317 -0.430476 0.160 Uiso 1 1 calc R U . . .
C65 C 0.4476(7) -0.0591(4) -0.3650(4) 0.1335(8) Uani 1 1 d D U . . .
H65A H 0.465200 -0.037145 -0.386888 0.200 Uiso 1 1 calc R U . . .
H65B H 0.488689 -0.070996 -0.337629 0.200 Uiso 1 1 calc R U . . .
H65C H 0.418936 -0.031514 -0.348422 0.200 Uiso 1 1 calc R U . . .
C66 C 0.3084(4) 0.0070(3) -0.3705(2) 0.2319(3) Uani 1 1 d D U . . .
C67 C 0.2914(3) 0.0165(3) -0.4215(2) 0.2319(3) Uani 1 1 d D U . . .
C68 C 0.2924(4) 0.0776(2) -0.4304(2) 0.2319(3) Uani 1 1 d D U . . .
H68 H 0.281103 0.084255 -0.465295 0.278 Uiso 1 1 calc R U . . .
C69 C 0.3100(10) 0.1282(3) -0.3879(3) 0.2319(3) Uani 1 1 d D U . . .
H69 H 0.310294 0.169649 -0.393899 0.278 Uiso 1 1 calc R U . . .
C70 C 0.3273(10) 0.1186(3) -0.3366(2) 0.2319(3) Uani 1 1 d D U . . .
H70 H 0.339711 0.153460 -0.307602 0.278 Uiso 1 1 calc R U . . .
C71 C 0.3264(9) 0.0579(3) -0.3278(2) 0.2319(3) Uani 1 1 d D U . . .
H71 H 0.337914 0.051156 -0.292887 0.278 Uiso 1 1 calc R U . . .
C72 C 0.2713(10) -0.0385(4) -0.4679(3) 0.2321(8) Uani 1 1 d D U . . .
H72A H 0.274951 -0.024839 -0.498911 0.348 Uiso 1 1 calc R U . . .
H72B H 0.221815 -0.054753 -0.475354 0.348 Uiso 1 1 calc R U . . .
H72C H 0.304134 -0.071535 -0.459412 0.348 Uiso 1 1 calc R U . . .
C74 C 0.1860(5) -0.1477(5) -0.2801(4) 0.056(3) Uani 1 1 d . . . . .
C75 C 0.1816(6) -0.2047(5) -0.2923(5) 0.063(3) Uani 1 1 d . . . . .
C76 C 0.1805(6) -0.2729(5) -0.3052(4) 0.055(3) Uani 1 1 d . . . . .
C77 C 0.2000(6) -0.3056(5) -0.2651(5) 0.058(3) Uani 1 1 d . . . . .
H77 H 0.212285 -0.283750 -0.229421 0.070 Uiso 1 1 calc R U . . .
C78 C 0.2016(6) -0.3716(5) -0.2767(5) 0.063(3) Uani 1 1 d . . . . .
H78 H 0.217501 -0.393235 -0.248478 0.076 Uiso 1 1 calc R U . . .
C79 C 0.1809(3) -0.4052(2) -0.3278(3) 0.056(3) Uani 1 1 d D . . . .
C80 C 0.1607(7) -0.3705(5) -0.3684(5) 0.071(4) Uani 1 1 d . . . . .
H80 H 0.145918 -0.392740 -0.404096 0.085 Uiso 1 1 calc R U . . .
C81 C 0.1614(8) -0.3047(5) -0.3585(5) 0.075(4) Uani 1 1 d . . . . .
H81 H 0.149437 -0.282484 -0.386445 0.090 Uiso 1 1 calc R U . . .
C82 C 0.1867(3) -0.4761(3) -0.3421(2) 0.084(4) Uani 1 1 d D . . . .
C83 C 0.2489(3) -0.4887(3) -0.3633(2) 0.126(7) Uani 1 1 d D . . . .
H83A H 0.270828 -0.526698 -0.353451 0.151 Uiso 1 1 calc R U . . .
H83B H 0.285018 -0.453013 -0.348214 0.151 Uiso 1 1 calc R U . . .
H83C H 0.230549 -0.494374 -0.401904 0.151 Uiso 1 1 calc R U . . .
C84 C 0.1160(3) -0.5067(3) -0.3845(3) 0.183(12) Uani 1 1 d D . . . .
H84A H 0.115124 -0.552318 -0.387740 0.275 Uiso 1 1 calc R U . . .
H84B H 0.112435 -0.496643 -0.418518 0.275 Uiso 1 1 calc R U . . .
H84C H 0.075205 -0.490818 -0.374389 0.275 Uiso 1 1 calc R U . . .
C85 C 0.2005(4) -0.5043(3) -0.29296(18) 0.148(10) Uani 1 1 d D . . . .
H85A H 0.160749 -0.496251 -0.279328 0.222 Uiso 1 1 calc R U . . .
H85B H 0.203951 -0.549622 -0.302360 0.222 Uiso 1 1 calc R U . . .
H85C H 0.245693 -0.485028 -0.265792 0.222 Uiso 1 1 calc R U . . .
C86 C 0.2388(8) 0.0352(6) -0.2280(5) 0.077(4) Uani 1 1 d . . . . .
C87 C 0.2608(11) 0.0901(6) -0.2068(5) 0.100(6) Uani 1 1 d . . . . .
C88 C 0.2933(11) 0.1502(6) -0.1866(6) 0.105(6) Uani 1 1 d . . . . .
C89 C 0.3310(9) 0.1713(6) -0.1332(6) 0.105(6) Uani 1 1 d . . . . .
H89 H 0.340166 0.141719 -0.111024 0.126 Uiso 1 1 calc R U . . .
C90 C 0.3563(10) 0.2336(7) -0.1103(6) 0.112(6) Uani 1 1 d . . . . .
H90 H 0.384365 0.245843 -0.073878 0.135 Uiso 1 1 calc R U . . .
C91 C 0.3387(9) 0.2783(6) -0.1433(5) 0.089(5) Uani 1 1 d . . . . .
C92 C 0.3524(8) 0.3469(6) -0.1321(5) 0.077(4) Uani 1 1 d . . . . .
C93 C 0.3884(9) 0.3900(7) -0.0900(6) 0.090(5) Uani 1 1 d . . . . .
H93 H 0.416570 0.376764 -0.058828 0.109 Uiso 1 1 calc R U . . .
C94 C 0.3868(9) 0.4535(7) -0.0893(6) 0.093(5) Uani 1 1 d . . . . .
H94 H 0.410305 0.483834 -0.057998 0.111 Uiso 1 1 calc R U . . .
C95 C 0.3489(8) 0.4713(6) -0.1372(6) 0.083(5) Uani 1 1 d . . . . .
C96 C 0.3143(8) 0.4245(6) -0.1834(6) 0.087(5) Uani 1 1 d . . . . .
H96 H 0.291692 0.435373 -0.216685 0.104 Uiso 1 1 calc R U . . .
C97 C 0.3149(8) 0.3657(6) -0.1783(6) 0.083(5) Uani 1 1 d . . . . .
C98 C 0.2936(9) 0.2575(6) -0.1952(6) 0.090(5) Uani 1 1 d . . . . .
C99 C 0.2707(7) 0.1973(5) -0.2182(5) 0.067(4) Uani 1 1 d . . . . .
H99 H 0.240457 0.185920 -0.254134 0.080 Uiso 1 1 calc R U . . .
C100 C 0.2382(3) 0.31213(9) -0.2688(2) 0.135(3) Uani 1 1 d D U . . .
C101 C 0.1670(2) 0.32637(7) -0.2808(2) 0.143(3) Uani 1 1 d D U . . .
C102 C 0.1243(3) 0.32360(9) -0.3326(2) 0.148(3) Uani 1 1 d D U . . .
C103 C 0.1489(3) 0.3070(2) -0.3747(3) 0.147(3) Uani 1 1 d D U . . .
H103 H 0.118120 0.305547 -0.409965 0.176 Uiso 1 1 calc R U . . .
C104 C 0.2199(4) 0.2925(2) -0.3637(3) 0.149(3) Uani 1 1 d D U . . .
C105 C 0.2618(5) 0.2956(2) -0.3114(2) 0.145(3) Uani 1 1 d D U . . .
C106 C 0.3472(7) 0.5354(6) -0.1383(5) 0.074(4) Uani 1 1 d . . . . .
C107 C 0.3411(7) 0.5909(6) -0.1408(6) 0.086(5) Uani 1 1 d . . . . .
H10A H 0.336417 0.633818 -0.142792 0.103 Uiso 1 1 calc R U . . .
C108 C 0.6051(5) -0.3996(5) -0.3195(4) 0.052(3) Uani 1 1 d . . . . .
H10C H 0.576522 -0.400761 -0.356936 0.063 Uiso 1 1 calc R U . . .
H10D H 0.626508 -0.356146 -0.303578 0.063 Uiso 1 1 calc R U . . .
C109 C 0.7356(5) -0.4001(6) -0.3354(5) 0.062(3) Uani 1 1 d . . . . .
H10E H 0.742649 -0.358265 -0.311723 0.074 Uiso 1 1 calc R U . . .
H10F H 0.709934 -0.394602 -0.371813 0.074 Uiso 1 1 calc R U . . .
C110 C 0.4814(6) -0.3533(7) -0.2938(5) 0.076(4) Uani 1 1 d . . . . .
C111 C 0.4220(8) -0.3588(8) -0.2741(6) 0.090(5) Uani 1 1 d . . . . .
C112 C 0.3741(7) -0.3122(9) -0.2825(6) 0.101(5) Uani 1 1 d . . . . .
H112 H 0.334225 -0.312787 -0.270567 0.121 Uiso 1 1 calc R U . . .
C113 C 0.3822(8) -0.2661(8) -0.3070(8) 0.110(6) Uani 1 1 d . . . . .
H113 H 0.346503 -0.236766 -0.313667 0.132 Uiso 1 1 calc R U . . .
C114 C 0.4372(9) -0.2610(9) -0.3215(7) 0.113(7) Uani 1 1 d . . . . .
H114 H 0.443736 -0.225268 -0.334909 0.135 Uiso 1 1 calc R U . . .
C115 C 0.4886(8) -0.3073(7) -0.3180(6) 0.085(5) Uani 1 1 d . . . . .
H115 H 0.526103 -0.305602 -0.332212 0.102 Uiso 1 1 calc R U . . .
C116 C 0.4121(8) -0.4068(10) -0.2496(6) 0.123(7) Uani 1 1 d . . . . .
H11A H 0.366300 -0.403280 -0.243032 0.148 Uiso 1 1 calc R U . . .
H11B H 0.451661 -0.403418 -0.215934 0.148 Uiso 1 1 calc R U . . .
H11C H 0.411359 -0.447510 -0.272557 0.148 Uiso 1 1 calc R U . . .
C117 C 0.4915(6) -0.4903(7) -0.3243(5) 0.070(4) Uani 1 1 d . . . . .
C118 C 0.4426(8) -0.4977(9) -0.3735(6) 0.097(5) Uani 1 1 d . . . . .
C119 C 0.4046(9) -0.5588(9) -0.3978(7) 0.109(6) Uani 1 1 d . . . . .
H119 H 0.368852 -0.565244 -0.431961 0.131 Uiso 1 1 calc R U . . .
C120 C 0.4191(10) -0.6044(9) -0.3734(10) 0.143(10) Uani 1 1 d . . . . .
H120 H 0.393591 -0.643926 -0.390831 0.172 Uiso 1 1 calc R U . . .
C121 C 0.4704(10) -0.5996(10) -0.3226(9) 0.135(8) Uani 1 1 d . . . . .
H121 H 0.481195 -0.634297 -0.305841 0.162 Uiso 1 1 calc R U . . .
C122 C 0.5049(7) -0.5386(7) -0.2984(6) 0.082(5) Uani 1 1 d . . . . .
H122 H 0.538115 -0.531412 -0.263346 0.098 Uiso 1 1 calc R U . . .
C123 C 0.4172(9) -0.4495(9) -0.4037(7) 0.110(6) Uani 1 1 d . . . . .
H12C H 0.365199 -0.447346 -0.411521 0.165 Uiso 1 1 calc R U . . .
H12D H 0.427263 -0.459651 -0.436901 0.165 Uiso 1 1 calc R U . . .
H12E H 0.441972 -0.408869 -0.383172 0.165 Uiso 1 1 calc R U . . .
C124 C 0.6428(6) -0.5139(5) -0.3754(4) 0.056(3) Uani 1 1 d . . . . .
C125 C 0.5845(9) -0.5121(7) -0.4159(6) 0.094(5) Uani 1 1 d . . . . .
H125 H 0.555593 -0.477457 -0.414417 0.113 Uiso 1 1 calc R U . . .
C126 C 0.5636(10) -0.5614(9) -0.4622(6) 0.109(7) Uani 1 1 d . . . . .
H126 H 0.522671 -0.556828 -0.491351 0.130 Uiso 1 1 calc R U . . .
C127 C 0.5954(11) -0.6087(8) -0.4662(6) 0.117(7) Uani 1 1 d . . . . .
H127 H 0.577491 -0.641408 -0.496709 0.140 Uiso 1 1 calc R U . . .
C128 C 0.6593(12) -0.6146(8) -0.4249(8) 0.126(8) Uani 1 1 d . . . . .
H128 H 0.685653 -0.650880 -0.426817 0.151 Uiso 1 1 calc R U . . .
C129 C 0.6831(10) -0.5622(9) -0.3790(6) 0.107(6) Uani 1 1 d . . . . .
H129 H 0.727711 -0.562767 -0.351684 0.129 Uiso 1 1 calc R U . . .
C130 C 0.8740(6) -0.3576(6) -0.3324(5) 0.066(3) Uani 1 1 d . . . . .
C131 C 0.9499(7) -0.3582(8) -0.3242(6) 0.087(4) Uani 1 1 d . . . . .
C132 C 0.9861(7) -0.3036(8) -0.3214(7) 0.099(5) Uani 1 1 d . . . . .
H132 H 1.036675 -0.302745 -0.313886 0.119 Uiso 1 1 calc R U . . .
C133 C 0.9517(8) -0.2494(8) -0.3292(6) 0.097(5) Uani 1 1 d . . . . .
H133 H 0.978248 -0.212540 -0.328367 0.117 Uiso 1 1 calc R U . . .
C134 C 0.8809(9) -0.2491(7) -0.3381(6) 0.102(5) Uani 1 1 d . . . . .
H134 H 0.857265 -0.211846 -0.343611 0.123 Uiso 1 1 calc R U . . .
C135 C 0.8423(7) -0.3016(6) -0.3391(5) 0.074(4) Uani 1 1 d . . . . .
H135 H 0.792342 -0.299875 -0.344656 0.088 Uiso 1 1 calc R U . . .
C136 C 0.9862(8) -0.4165(10) -0.3173(6) 0.132(6) Uani 1 1 d . . . . .
H13A H 1.036641 -0.406191 -0.294764 0.198 Uiso 1 1 calc R U . . .
H13B H 0.983840 -0.441006 -0.351858 0.198 Uiso 1 1 calc R U . . .
H13C H 0.962150 -0.441185 -0.300696 0.198 Uiso 1 1 calc R U . . .
C137 C 0.81321(18) -0.48240(19) -0.39481(16) 0.1537(16) Uani 1 1 d D U . . .
C138 C 0.83538(11) -0.54218(18) -0.40022(14) 0.1595(15) Uani 1 1 d D U . . .
C139 C 0.82393(18) -0.5784(2) -0.44989(15) 0.1608(16) Uani 1 1 d D U . . .
H139 H 0.839418 -0.619777 -0.453614 0.193 Uiso 1 1 calc R U . . .
C140 C 0.7901(4) -0.5545(2) -0.49386(19) 0.1592(16) Uani 1 1 d D U . . .
H140 H 0.781871 -0.579433 -0.528073 0.191 Uiso 1 1 calc R U . . .
C141 C 0.7680(4) -0.4945(2) -0.48848(19) 0.1559(16) Uani 1 1 d D U . . .
H141 H 0.744858 -0.478020 -0.518999 0.187 Uiso 1 1 calc R U . . .
C142 C 0.7794(4) -0.4584(2) -0.43923(19) 0.1521(16) Uani 1 1 d D U . . .
H142 H 0.764175 -0.416959 -0.435602 0.183 Uiso 1 1 calc R U . . .
C143 C 0.8722(4) -0.5688(4) -0.3523(3) 0.171(3) Uani 1 1 d D U . . .
H14A H 0.915496 -0.588257 -0.355773 0.257 Uiso 1 1 calc R U . . .
H14B H 0.839426 -0.600360 -0.349163 0.257 Uiso 1 1 calc R U . . .
H14C H 0.885867 -0.535049 -0.320677 0.257 Uiso 1 1 calc R U . . .
C144 C 0.7690(6) -0.4051(7) -0.1009(5) 0.070(4) Uani 1 1 d . . . . .
H14D H 0.797042 -0.406522 -0.063770 0.084 Uiso 1 1 calc R U . . .
H14E H 0.781352 -0.364035 -0.107141 0.084 Uiso 1 1 calc R U . . .
C145 C 0.8907(6) -0.4414(7) -0.1290(5) 0.075(4) Uani 1 1 d . . . . .
H14F H 0.893436 -0.396512 -0.130599 0.090 Uiso 1 1 calc R U . . .
H14G H 0.917857 -0.445122 -0.092298 0.090 Uiso 1 1 calc R U . . .
C146 C 0.6626(7) -0.3382(6) -0.0690(5) 0.068(4) Uani 1 1 d . . . . .
C147 C 0.5948(8) -0.3284(7) -0.0615(5) 0.082(4) Uani 1 1 d . . . . .
C148 C 0.5856(7) -0.2697(8) -0.0342(6) 0.087(5) Uani 1 1 d . . . . .
H148 H 0.541670 -0.261372 -0.027986 0.104 Uiso 1 1 calc R U . . .
C149 C 0.6432(9) -0.2228(9) -0.0160(7) 0.104(6) Uani 1 1 d . . . . .
H149 H 0.636541 -0.182528 0.001735 0.125 Uiso 1 1 calc R U . . .
C150 C 0.7059(9) -0.2325(8) -0.0227(6) 0.097(5) Uani 1 1 d . . . . .
H150 H 0.742755 -0.199382 -0.009815 0.116 Uiso 1 1 calc R U . . .
C151 C 0.7182(7) -0.2911(6) -0.0485(5) 0.071(4) Uani 1 1 d . . . . .
H151 H 0.763940 -0.298675 -0.051904 0.086 Uiso 1 1 calc R U . . .
C152 C 0.5349(7) -0.3768(7) -0.0818(6) 0.083(5) Uani 1 1 d . . . . .
H15A H 0.494035 -0.360464 -0.071975 0.125 Uiso 1 1 calc R U . . .
H15B H 0.550123 -0.413697 -0.066555 0.125 Uiso 1 1 calc R U . . .
H15C H 0.520486 -0.388639 -0.120345 0.125 Uiso 1 1 calc R U . . .
C153 C 0.65673(11) -0.47530(14) -0.07983(11) 0.183(3) Uani 1 1 d D U . . .
C154 C 0.69045(7) -0.48206(10) -0.02860(8) 0.193(3) Uani 1 1 d D U . . .
C155 C 0.67196(10) -0.53327(14) -0.01176(12) 0.196(3) Uani 1 1 d D U . . .
H155 H 0.695307 -0.537752 0.023592 0.235 Uiso 1 1 calc R U . . .
C156 C 0.6194(2) -0.5780(2) -0.04647(18) 0.203(3) Uani 1 1 d D U . . .
H156 H 0.606638 -0.613292 -0.035038 0.243 Uiso 1 1 calc R U . . .
C157 C 0.5855(2) -0.5713(2) -0.09773(18) 0.205(3) Uani 1 1 d D U . . .
H157 H 0.549311 -0.601999 -0.121552 0.246 Uiso 1 1 calc R U . . .
C158 C 0.6040(2) -0.5202(2) -0.11448(18) 0.196(3) Uani 1 1 d D U . . .
H158 H 0.580583 -0.515749 -0.149830 0.235 Uiso 1 1 calc R U . . .
C159 C 0.7477(3) -0.4335(3) 0.0093(2) 0.220(6) Uani 1 1 d D U . . .
H15D H 0.782013 -0.453248 0.035528 0.329 Uiso 1 1 calc R U . . .
H15E H 0.725320 -0.400625 0.027219 0.329 Uiso 1 1 calc R U . . .
H15F H 0.772992 -0.414995 -0.010168 0.329 Uiso 1 1 calc R U . . .
C160 C 0.79949(11) -0.53447(19) -0.11405(10) 0.103(3) Uani 1 1 d D U . . .
C161 C 0.84959(8) -0.53262(15) -0.06461(8) 0.113(3) Uani 1 1 d D U . . .
H161 H 0.881922 -0.496567 -0.046997 0.136 Uiso 1 1 calc R U . . .
C162 C 0.85265(11) -0.58348(18) -0.04069(10) 0.124(3) Uani 1 1 d D U . . .
H162 H 0.887014 -0.582393 -0.006647 0.149 Uiso 1 1 calc R U . . .
C163 C 0.8056(2) -0.6356(2) -0.06655(18) 0.125(3) Uani 1 1 d D U . . .
H163 H 0.807683 -0.670558 -0.050241 0.150 Uiso 1 1 calc R U . . .
C164 C 0.7554(3) -0.6375(2) -0.11595(18) 0.124(3) Uani 1 1 d D U . . .
H164 H 0.723002 -0.673469 -0.133563 0.148 Uiso 1 1 calc R U . . .
C165 C 0.7524(3) -0.5866(2) -0.13972(17) 0.111(3) Uani 1 1 d D U . . .
H165 H 0.717991 -0.587705 -0.173730 0.134 Uiso 1 1 calc R U . . .
C166 C 0.92915(9) -0.5672(2) -0.17049(10) 0.092(3) Uani 1 1 d D U . . .
C167 C 0.96635(6) -0.5930(2) -0.12747(6) 0.100(3) Uani 1 1 d D U . . .
C168 C 0.96183(9) -0.6573(2) -0.13190(10) 0.110(3) Uani 1 1 d D U . . .
H168 H 0.987230 -0.674889 -0.102494 0.132 Uiso 1 1 calc R U . . .
C169 C 0.9206(2) -0.6960(2) -0.17884(18) 0.116(3) Uani 1 1 d D U . . .
H169 H 0.917639 -0.740111 -0.181689 0.139 Uiso 1 1 calc R U . . .
C170 C 0.8834(2) -0.6703(2) -0.22185(18) 0.109(3) Uani 1 1 d D U . . .
H170 H 0.855075 -0.696816 -0.254195 0.131 Uiso 1 1 calc R U . . .
C171 C 0.8877(2) -0.6060(2) -0.21751(17) 0.094(3) Uani 1 1 d D U . . .
H171 H 0.862151 -0.588471 -0.246909 0.112 Uiso 1 1 calc R U . . .
C172 C 1.0148(3) -0.5509(8) -0.0724(3) 0.113(5) Uani 1 1 d . U . . .
H17A H 1.016012 -0.572167 -0.043793 0.170 Uiso 1 1 calc R U . . .
H17B H 0.994332 -0.510288 -0.066890 0.170 Uiso 1 1 calc R U . . .
H17C H 1.063787 -0.544366 -0.072508 0.170 Uiso 1 1 calc R U . . .
C173 C 1.0282(2) -0.45538(10) -0.14594(8) 0.090(2) Uani 1 1 d D U . . .
C174 C 1.0751(2) -0.48362(6) -0.16937(5) 0.090(2) Uani 1 1 d D U . . .
C175 C 1.1467(2) -0.46173(10) -0.15022(8) 0.101(3) Uani 1 1 d D U . . .
H175 H 1.179194 -0.481114 -0.166307 0.121 Uiso 1 1 calc R U . . .
C176 C 1.1712(2) -0.4118(2) -0.10781(17) 0.103(3) Uani 1 1 d D U . . .
H176 H 1.220487 -0.396901 -0.094675 0.124 Uiso 1 1 calc R U . . .
C177 C 1.1241(2) -0.3834(2) -0.08436(17) 0.102(3) Uani 1 1 d D U . . .
H177 H 1.140975 -0.348938 -0.055204 0.123 Uiso 1 1 calc R U . . .
C178 C 1.0526(2) -0.4053(2) -0.10346(17) 0.095(3) Uani 1 1 d D U . . .
H178 H 1.020100 -0.385949 -0.087385 0.114 Uiso 1 1 calc R U . . .
C179 C 1.0513(7) -0.5403(3) -0.2176(2) 0.096(4) Uani 1 1 d . U . . .
H17D H 1.093087 -0.553194 -0.227706 0.145 Uiso 1 1 calc R U . . .
H17E H 1.014626 -0.527892 -0.247423 0.145 Uiso 1 1 calc R U . . .
H17F H 1.031351 -0.575437 -0.207920 0.145 Uiso 1 1 calc R U . . .
C180 C 0.75434(13) -0.3702(5) -0.2128(2) 0.055(2) Uani 1 1 d . U . . .
C181 C 0.75661(8) -0.3169(5) -0.20467(12) 0.060(2) Uani 1 1 d . U . . .
C182 C 0.76055(17) -0.2477(4) -0.19253(18) 0.061(2) Uani 1 1 d D U . . .
C183 C 0.7953(6) -0.2170(3) -0.1410(3) 0.069(2) Uani 1 1 d D U . . .
H183 H 0.819049 -0.239582 -0.114601 0.082 Uiso 1 1 calc R U . . .
C184 C 0.7947(7) -0.1524(3) -0.1288(3) 0.075(2) Uani 1 1 d D U . . .
H184 H 0.813234 -0.131561 -0.092733 0.090 Uiso 1 1 calc R U . . .
C185 C 0.7686(7) -0.1169(4) -0.1665(2) 0.070(2) Uani 1 1 d D U . . .
C186 C 0.7399(6) -0.1490(3) -0.2184(3) 0.067(2) Uani 1 1 d D U . . .
H186 H 0.722879 -0.126012 -0.245634 0.080 Uiso 1 1 calc R U . . .
C187 C 0.7352(6) -0.2136(3) -0.2316(3) 0.067(2) Uani 1 1 d D U . . .
H187 H 0.714675 -0.234554 -0.267497 0.081 Uiso 1 1 calc R U . . .
C188 C 0.7770(7) -0.0434(6) -0.1501(5) 0.073(3) Uani 1 1 d . U . . .
C189 C 0.7437(10) -0.0141(7) -0.1970(7) 0.109(6) Uani 1 1 d . . . . .
H18A H 0.748111 0.031614 -0.185385 0.164 Uiso 1 1 calc R U . . .
H18B H 0.692650 -0.028759 -0.213529 0.164 Uiso 1 1 calc R U . . .
H18C H 0.768453 -0.026097 -0.222544 0.164 Uiso 1 1 calc R U . . .
C190 C 0.8550(10) -0.0213(7) -0.1239(9) 0.124(8) Uani 1 1 d . . . . .
H19A H 0.859283 0.023810 -0.108923 0.187 Uiso 1 1 calc R U . . .
H19B H 0.879437 -0.029222 -0.150004 0.187 Uiso 1 1 calc R U . . .
H19C H 0.877199 -0.043856 -0.095643 0.187 Uiso 1 1 calc R U . . .
C191 C 0.7459(13) -0.0232(9) -0.1066(8) 0.153(9) Uani 1 1 d . . . . .
H19D H 0.750005 0.022720 -0.096403 0.229 Uiso 1 1 calc R U . . .
H19E H 0.772390 -0.040649 -0.075914 0.229 Uiso 1 1 calc R U . . .
H19F H 0.695037 -0.038409 -0.119217 0.229 Uiso 1 1 calc R U . . .
C192 C 0.7052(7) -0.5573(5) -0.2578(5) 0.065(3) Uani 1 1 d . . . . .
C193 C 0.6816(8) -0.6125(5) -0.2764(5) 0.074(4) Uani 1 1 d . . . . .
C194 C 0.65824(4) -0.6783(3) -0.29717(3) 0.112(3) Uani 1 1 d D U . . .
C195 C 0.60148(2) -0.69188(16) -0.34517(2) 0.122(3) Uani 1 1 d D U . . .
H195 H 0.578605 -0.659191 -0.361443 0.146 Uiso 1 1 calc R U . . .
C196 C 0.57900(2) -0.75462(18) -0.36879(2) 0.129(3) Uani 1 1 d D U . . .
H196 H 0.540554 -0.765799 -0.401544 0.155 Uiso 1 1 calc R U . . .
C197 C 0.6147(2) -0.8005(4) -0.34286(19) 0.133(3) Uani 1 1 d D U . . .
C198 C 0.6087(2) -0.8691(4) -0.35342(19) 0.149(3) Uani 1 1 d D U . . .
C199 C 0.5629(3) -0.9136(3) -0.3949(2) 0.163(3) Uani 1 1 d D U . . .
H199 H 0.527290 -0.900505 -0.423186 0.196 Uiso 1 1 calc R U . . .
C200 C 0.5690(3) -0.9773(3) -0.3950(2) 0.166(3) Uani 1 1 d D U . . .
H200 H 0.537506 -1.007532 -0.423372 0.199 Uiso 1 1 calc R U . . .
C201 C 0.6210(2) -0.9968(4) -0.35356(19) 0.158(3) Uani 1 1 d D U . . .
C202 C 0.6671(3) -0.9532(3) -0.3119(2) 0.146(3) Uani 1 1 d D U . . .
H202 H 0.702581 -0.966116 -0.283427 0.175 Uiso 1 1 calc R U . . .
C203 C 0.6601(3) -0.8902(3) -0.3128(2) 0.141(3) Uani 1 1 d D U . . .
C204 C 0.6715(2) -0.7845(4) -0.29476(19) 0.120(3) Uani 1 1 d D U . . .
C205 C 0.6952(3) -0.7228(3) -0.2702(2) 0.110(3) Uani 1 1 d D U . . .
H205 H 0.733756 -0.711572 -0.237493 0.132 Uiso 1 1 calc R U . . .
C206 C 0.7524(2) -0.83809(9) -0.22979(19) 0.125(3) Uani 1 1 d D U . . .
C207 C 0.74751(19) -0.81713(7) -0.18011(14) 0.130(3) Uani 1 1 d D U . . .
C208 C 0.8046(2) -0.81816(9) -0.1341(2) 0.135(3) Uani 1 1 d D U . . .
C209 C 0.8699(3) -0.8403(2) -0.1355(3) 0.132(3) Uani 1 1 d D U . . .
H20A H 0.908857 -0.840844 -0.103872 0.158 Uiso 1 1 calc R U . . .
C210 C 0.8764(4) -0.8616(2) -0.1846(2) 0.132(3) Uani 1 1 d D U . . .
C211 C 0.8184(3) -0.8600(2) -0.2298(3) 0.129(3) Uani 1 1 d D U . . .
C212 C 0.6294(3) -1.0645(8) -0.3521(2) 0.158(4) Uani 1 1 d . U . . .
C213 C 0.6300(3) -1.1152(8) -0.3557(2) 0.149(7) Uani 1 1 d . U . . .
H213 H 0.630532 -1.159344 -0.358912 0.179 Uiso 1 1 calc R U . . .
C214 C 0.3971(11) 0.2745(9) 0.4799(7) 0.122(6) Uani 1 1 d . . . . .
C215 C 0.0777(7) -0.2468(8) -0.5429(4) 0.225(15) Uani 1 1 d D . . . .
C216 C 0.6810(18) 0.2561(10) 0.0161(10) 0.187(13) Uani 1 1 d . . . . .
C217 C 0.0042(2) 0.2349(2) 0.03076(18) 0.302(3) Uani 1 1 d D U . . .
 
 
_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_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Au1 P4 2.318(4) . ?
Au1 P1 2.320(3) . ?
Au1 Pt1 3.0526(8) . ?
Au2 P6 2.297(4) . ?
Au2 P3 2.319(4) . ?
Au2 Pt1 2.9745(8) . ?
Au3 P7 2.318(3) . ?
Au3 P10 2.321(3) . ?
Au3 Pt2 3.0341(7) . ?
Au4 P9 2.312(3) . ?
Au4 P12 2.313(3) . ?
Au4 Pt2 2.9990(7) . ?
Pt1 C86 1.977(12) . ?
Pt1 C74 2.008(10) . ?
Pt1 P2 2.299(3) . ?
Pt1 P5 2.310(3) . ?
Pt2 C192 1.967(11) . ?
Pt2 C180 2.078(10) . ?
Pt2 P8 2.308(3) . ?
Pt2 P11 2.323(3) . ?
S1 O2 1.412(11) . ?
S1 O1 1.420(17) . ?
S1 O3 1.433(11) . ?
S1 C214 1.80(2) . ?
S2 O4 1.437(12) . ?
S2 O5 1.457(13) . ?
S2 O6 1.514(18) . ?
S2 C215 1.750(9) . ?
S3 O7 1.407(12) . ?
S3 O8 1.409(11) . ?
S3 O9 1.437(15) . ?
S3 C216 1.80(3) . ?
S4 O10 1.385(6) . ?
S4 O11 1.401(6) . ?
S4 O12 1.424(6) . ?
S4 C217 1.772(6) . ?
P1 C2 1.810(12) . ?
P1 C10 1.811(14) . ?
P1 C3 1.848(13) . ?
P2 C17 1.812(12) . ?
P2 C1 1.812(11) . ?
P2 C2 1.842(12) . ?
P3 C1 1.822(14) . ?
P3 C23 1.829(14) . ?
P3 C30 1.867(13) . ?
P4 C46 1.737(6) . ?
P4 C37 1.770(15) . ?
P4 C39 1.812(5) . ?
P5 C37 1.831(12) . ?
P5 C38 1.848(15) . ?
P5 C53 1.857(14) . ?
P6 C59 1.764(7) . ?
P6 C38 1.821(15) . ?
P6 C66 1.856(8) . ?
P7 C117 1.821(13) . ?
P7 C110 1.841(15) . ?
P7 C108 1.844(12) . ?
P8 C108 1.801(11) . ?
P8 C109 1.819(13) . ?
P8 C124 1.822(10) . ?
P9 C130 1.802(13) . ?
P9 C109 1.824(11) . ?
P9 C137 1.846(5) . ?
P10 C144 1.814(13) . ?
P10 C146 1.825(13) . ?
P10 C153 1.838(5) . ?
P11 C160 1.807(5) . ?
P11 C145 1.839(12) . ?
P11 C144 1.870(14) . ?
P12 C166 1.800(6) . ?
P12 C145 1.814(15) . ?
P12 C173 1.848(5) . ?
F1 C101 1.288(17) . ?
F2 C102 1.213(16) . ?
F3 C105 1.399(18) . ?
F4 C104 1.322(18) . ?
F5 C207 1.334(16) . ?
F6 C208 1.326(19) . ?
F7 C210 1.285(16) . ?
F8 C211 1.386(17) . ?
F9 C214 1.343(19) . ?
F10 C214 1.31(2) . ?
F11 C214 1.31(3) . ?
F12 C215 1.20(2) . ?
F13 C215 1.34(3) . ?
F14 C215 1.298(18) . ?
F15 C216 1.43(4) . ?
F16 C216 1.34(2) . ?
F17 C216 1.30(3) . ?
F18 C217 1.319(6) . ?
F19 C217 1.316(6) . ?
F20 C217 1.317(6) . ?
N1 C97 1.383(15) . ?
N1 C98 1.409(18) . ?
N1 C100 1.426(12) . ?
N2 C204 1.373(13) . ?
N2 C206 1.380(7) . ?
N2 C203 1.389(11) . ?
C3 C4 1.394(18) . ?
C3 C8 1.412(18) . ?
C4 C5 1.45(2) . ?
C4 C9 1.58(2) . ?
C5 C6 1.39(2) . ?
C6 C7 1.28(2) . ?
C7 C8 1.341(18) . ?
C10 C11 1.34(2) . ?
C10 C15 1.42(2) . ?
C11 C12 1.50(2) . ?
C11 C16 1.55(2) . ?
C12 C13 1.34(2) . ?
C13 C14 1.36(2) . ?
C14 C15 1.42(2) . ?
C17 C22 1.374(17) . ?
C17 C18 1.402(18) . ?
C18 C19 1.46(2) . ?
C19 C20 1.34(2) . ?
C20 C21 1.39(2) . ?
C21 C22 1.34(2) . ?
C23 C28 1.36(2) . ?
C23 C24 1.43(2) . ?
C24 C29 1.44(3) . ?
C24 C25 1.48(3) . ?
C25 C26 1.38(3) . ?
C26 C27 1.41(3) . ?
C27 C28 1.39(3) . ?
C30 C31 1.32(2) . ?
C30 C35 1.41(2) . ?
C31 C32 1.40(2) . ?
C31 C36 1.503(9) . ?
C32 C33 1.30(3) . ?
C33 C34 1.31(3) . ?
C34 C35 1.38(2) . ?
C39 C44 1.387(5) . ?
C39 C40 1.387(6) . ?
C40 C41 1.386(5) . ?
C40 C45 1.490(9) . ?
C41 C42 1.384(5) . ?
C42 C43 1.384(6) . ?
C43 C44 1.386(5) . ?
C46 C51 1.296(5) . ?
C46 C47 1.377(5) . ?
C47 C48 1.353(6) . ?
C47 C52 1.575(11) . ?
C48 C49 1.410(5) . ?
C49 C50 1.486(6) . ?
C50 C51 1.362(6) . ?
C53 C58 1.31(2) . ?
C53 C54 1.36(2) . ?
C54 C55 1.37(2) . ?
C55 C56 1.41(3) . ?
C56 C57 1.33(3) . ?
C57 C58 1.46(2) . ?
C59 C64 1.388(6) . ?
C59 C60 1.395(7) . ?
C60 C61 1.387(6) . ?
C60 C65 1.512(7) . ?
C61 C62 1.392(7) . ?
C62 C63 1.394(7) . ?
C63 C64 1.389(8) . ?
C66 C67 1.383(8) . ?
C66 C71 1.394(7) . ?
C67 C68 1.402(8) . ?
C67 C72 1.510(7) . ?
C68 C69 1.386(7) . ?
C69 C70 1.393(9) . ?
C70 C71 1.392(9) . ?
C74 C75 1.219(14) . ?
C75 C76 1.457(14) . ?
C76 C77 1.377(16) . ?
C76 C81 1.413(17) . ?
C77 C78 1.416(15) . ?
C78 C79 1.373(13) . ?
C79 C80 1.418(15) . ?
C79 C82 1.532(6) . ?
C80 C81 1.407(16) . ?
C82 C83 1.528(7) . ?
C82 C85 1.535(7) . ?
C82 C84 1.537(6) . ?
C86 C87 1.230(18) . ?
C87 C88 1.383(19) . ?
C88 C89 1.385(19) . ?
C88 C99 1.448(18) . ?
C89 C90 1.394(19) . ?
C90 C91 1.42(2) . ?
C91 C98 1.390(19) . ?
C91 C92 1.472(17) . ?
C92 C93 1.323(18) . ?
C92 C97 1.38(2) . ?
C93 C94 1.38(2) . ?
C94 C95 1.41(2) . ?
C95 C106 1.404(18) . ?
C95 C96 1.425(17) . ?
C96 C97 1.317(19) . ?
C98 C99 1.346(15) . ?
C100 C101 1.384(6) . ?
C100 C105 1.385(8) . ?
C101 C102 1.380(6) . ?
C102 C103 1.384(8) . ?
C103 C104 1.383(8) . ?
C104 C105 1.385(8) . ?
C106 C107 1.229(18) . ?
C110 C115 1.34(2) . ?
C110 C111 1.46(2) . ?
C111 C112 1.39(2) . ?
C111 C116 1.40(3) . ?
C112 C113 1.35(3) . ?
C113 C114 1.29(3) . ?
C114 C115 1.43(2) . ?
C117 C118 1.353(18) . ?
C117 C122 1.36(2) . ?
C118 C119 1.45(2) . ?
C118 C123 1.45(2) . ?
C119 C120 1.28(3) . ?
C120 C121 1.41(3) . ?
C121 C122 1.42(2) . ?
C124 C125 1.314(18) . ?
C124 C129 1.33(2) . ?
C125 C126 1.44(2) . ?
C126 C127 1.22(3) . ?
C127 C128 1.41(3) . ?
C128 C129 1.47(2) . ?
C130 C135 1.388(19) . ?
C130 C131 1.441(17) . ?
C131 C132 1.37(2) . ?
C131 C136 1.47(2) . ?
C132 C133 1.38(2) . ?
C133 C134 1.34(2) . ?
C134 C135 1.365(19) . ?
C137 C138 1.372(5) . ?
C137 C142 1.383(6) . ?
C138 C139 1.381(5) . ?
C138 C143 1.503(7) . ?
C139 C140 1.373(6) . ?
C140 C141 1.377(6) . ?
C141 C142 1.371(6) . ?
C146 C151 1.390(18) . ?
C146 C147 1.43(2) . ?
C147 C148 1.40(2) . ?
C147 C152 1.47(2) . ?
C148 C149 1.42(2) . ?
C149 C150 1.32(2) . ?
C150 C151 1.40(2) . ?
C153 C154 1.378(4) . ?
C153 C158 1.385(5) . ?
C154 C155 1.381(4) . ?
C154 C159 1.503(6) . ?
C155 C156 1.381(5) . ?
C156 C157 1.379(6) . ?
C157 C158 1.377(6) . ?
C160 C165 1.378(6) . ?
C160 C161 1.380(3) . ?
C161 C162 1.387(5) . ?
C162 C163 1.379(5) . ?
C163 C164 1.380(5) . ?
C164 C165 1.384(6) . ?
C166 C171 1.385(5) . ?
C166 C167 1.390(4) . ?
C167 C168 1.384(6) . ?
C167 C172 1.591(9) . ?
C168 C169 1.381(5) . ?
C169 C170 1.389(6) . ?
C170 C171 1.382(6) . ?
C173 C174 1.378(5) . ?
C173 C178 1.382(4) . ?
C174 C175 1.382(5) . ?
C174 C179 1.564(7) . ?
C175 C176 1.379(4) . ?
C176 C177 1.382(6) . ?
C177 C178 1.381(6) . ?
C180 C181 1.138(14) . ?
C181 C182 1.475(13) . ?
C182 C183 1.378(7) . ?
C182 C187 1.382(8) . ?
C183 C184 1.384(7) . ?
C184 C185 1.376(8) . ?
C185 C186 1.382(7) . ?
C185 C188 1.570(14) . ?
C186 C187 1.378(7) . ?
C188 C190 1.50(2) . ?
C188 C189 1.50(2) . ?
C188 C191 1.51(3) . ?
C192 C193 1.234(16) . ?
C193 C194 1.449(12) . ?
C194 C195 1.3933(8) . ?
C194 C205 1.394(7) . ?
C195 C196 1.396(4) . ?
C196 C197 1.397(7) . ?
C197 C204 1.398(6) . ?
C197 C198 1.465(12) . ?
C198 C199 1.389(7) . ?
C198 C203 1.391(7) . ?
C199 C200 1.395(8) . ?
C200 C201 1.393(7) . ?
C201 C202 1.385(7) . ?
C201 C212 1.493(19) . ?
C202 C203 1.384(7) . ?
C204 C205 1.385(7) . ?
C206 C207 1.387(5) . ?
C206 C211 1.390(7) . ?
C207 C208 1.389(5) . ?
C208 C209 1.389(7) . ?
C209 C210 1.387(8) . ?
C210 C211 1.384(7) . ?
C212 C213 1.09(2) . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
P4 Au1 P1 175.19(12) . . ?
P4 Au1 Pt1 89.07(10) . . ?
P1 Au1 Pt1 94.56(8) . . ?
P6 Au2 P3 173.90(15) . . ?
P6 Au2 Pt1 92.06(12) . . ?
P3 Au2 Pt1 91.16(10) . . ?
P7 Au3 P10 174.49(12) . . ?
P7 Au3 Pt2 89.78(8) . . ?
P10 Au3 Pt2 93.63(8) . . ?
P9 Au4 P12 171.71(11) . . ?
P9 Au4 Pt2 94.52(8) . . ?
P12 Au4 Pt2 89.68(9) . . ?
C86 Pt1 C74 171.4(5) . . ?
C86 Pt1 P2 91.8(4) . . ?
C74 Pt1 P2 84.7(3) . . ?
C86 Pt1 P5 96.2(4) . . ?
C74 Pt1 P5 87.4(3) . . ?
P2 Pt1 P5 171.97(10) . . ?
C86 Pt1 Au2 87.9(5) . . ?
C74 Pt1 Au2 84.3(3) . . ?
P2 Pt1 Au2 91.54(8) . . ?
P5 Pt1 Au2 89.03(10) . . ?
C86 Pt1 Au1 113.9(5) . . ?
C74 Pt1 Au1 73.8(3) . . ?
P2 Pt1 Au1 86.71(8) . . ?
P5 Pt1 Au1 89.78(9) . . ?
Au2 Pt1 Au1 158.16(2) . . ?
C192 Pt2 C180 174.6(4) . . ?
C192 Pt2 P8 91.2(3) . . ?
C180 Pt2 P8 84.63(17) . . ?
C192 Pt2 P11 97.1(3) . . ?
C180 Pt2 P11 87.10(17) . . ?
P8 Pt2 P11 171.65(11) . . ?
C192 Pt2 Au4 100.3(4) . . ?
C180 Pt2 Au4 83.07(10) . . ?
P8 Pt2 Au4 87.43(7) . . ?
P11 Pt2 Au4 90.46(8) . . ?
C192 Pt2 Au3 101.4(4) . . ?
C180 Pt2 Au3 75.34(10) . . ?
P8 Pt2 Au3 91.71(8) . . ?
P11 Pt2 Au3 87.28(8) . . ?
Au4 Pt2 Au3 158.375(19) . . ?
O2 S1 O1 114.3(12) . . ?
O2 S1 O3 117.8(8) . . ?
O1 S1 O3 109.5(10) . . ?
O2 S1 C214 104.1(9) . . ?
O1 S1 C214 102.8(11) . . ?
O3 S1 C214 106.7(9) . . ?
O4 S2 O5 110.5(7) . . ?
O4 S2 O6 112.6(10) . . ?
O5 S2 O6 116.7(9) . . ?
O4 S2 C215 107.5(8) . . ?
O5 S2 C215 105.2(10) . . ?
O6 S2 C215 103.4(9) . . ?
O7 S3 O8 112.9(8) . . ?
O7 S3 O9 112.2(10) . . ?
O8 S3 O9 116.9(10) . . ?
O7 S3 C216 107.1(11) . . ?
O8 S3 C216 103.9(10) . . ?
O9 S3 C216 102.4(13) . . ?
O10 S4 O11 115.6(5) . . ?
O10 S4 O12 113.5(5) . . ?
O11 S4 O12 112.5(5) . . ?
O10 S4 C217 105.7(5) . . ?
O11 S4 C217 104.7(5) . . ?
O12 S4 C217 103.3(4) . . ?
C2 P1 C10 110.9(5) . . ?
C2 P1 C3 104.7(5) . . ?
C10 P1 C3 108.3(7) . . ?
C2 P1 Au1 107.6(4) . . ?
C10 P1 Au1 114.3(5) . . ?
C3 P1 Au1 110.7(4) . . ?
C17 P2 C1 108.6(5) . . ?
C17 P2 C2 101.1(6) . . ?
C1 P2 C2 98.2(5) . . ?
C17 P2 Pt1 121.6(4) . . ?
C1 P2 Pt1 112.2(4) . . ?
C2 P2 Pt1 112.2(4) . . ?
C1 P3 C23 107.2(7) . . ?
C1 P3 C30 105.0(7) . . ?
C23 P3 C30 106.7(6) . . ?
C1 P3 Au2 109.8(4) . . ?
C23 P3 Au2 115.7(6) . . ?
C30 P3 Au2 111.8(5) . . ?
C46 P4 C37 111.3(5) . . ?
C46 P4 C39 105.4(2) . . ?
C37 P4 C39 105.9(4) . . ?
C46 P4 Au1 112.6(2) . . ?
C37 P4 Au1 106.7(4) . . ?
C39 P4 Au1 114.9(2) . . ?
C37 P5 C38 101.6(6) . . ?
C37 P5 C53 101.8(6) . . ?
C38 P5 C53 103.6(7) . . ?
C37 P5 Pt1 110.6(5) . . ?
C38 P5 Pt1 110.3(4) . . ?
C53 P5 Pt1 126.1(4) . . ?
C59 P6 C38 105.7(5) . . ?
C59 P6 C66 110.3(4) . . ?
C38 P6 C66 109.6(6) . . ?
C59 P6 Au2 111.5(2) . . ?
C38 P6 Au2 109.4(5) . . ?
C66 P6 Au2 110.2(2) . . ?
C117 P7 C110 108.2(6) . . ?
C117 P7 C108 106.7(6) . . ?
C110 P7 C108 103.6(6) . . ?
C117 P7 Au3 114.6(5) . . ?
C110 P7 Au3 114.5(4) . . ?
C108 P7 Au3 108.4(3) . . ?
C108 P8 C109 99.1(5) . . ?
C108 P8 C124 106.3(5) . . ?
C109 P8 C124 104.6(6) . . ?
C108 P8 Pt2 111.0(4) . . ?
C109 P8 Pt2 110.6(3) . . ?
C124 P8 Pt2 122.6(4) . . ?
C130 P9 C109 103.9(6) . . ?
C130 P9 C137 106.8(5) . . ?
C109 P9 C137 107.7(4) . . ?
C130 P9 Au4 112.1(4) . . ?
C109 P9 Au4 108.2(4) . . ?
C137 P9 Au4 117.31(19) . . ?
C144 P10 C146 102.6(6) . . ?
C144 P10 C153 108.5(5) . . ?
C146 P10 C153 107.0(5) . . ?
C144 P10 Au3 108.1(4) . . ?
C146 P10 Au3 112.7(4) . . ?
C153 P10 Au3 116.90(15) . . ?
C160 P11 C145 104.8(5) . . ?
C160 P11 C144 102.3(5) . . ?
C145 P11 C144 99.5(6) . . ?
C160 P11 Pt2 126.70(17) . . ?
C145 P11 Pt2 109.3(5) . . ?
C144 P11 Pt2 110.8(4) . . ?
C166 P12 C145 110.1(5) . . ?
C166 P12 C173 107.77(18) . . ?
C145 P12 C173 105.4(4) . . ?
C166 P12 Au4 115.28(16) . . ?
C145 P12 Au4 105.2(4) . . ?
C173 P12 Au4 112.70(18) . . ?
C97 N1 C98 112.6(11) . . ?
C97 N1 C100 124.3(10) . . ?
C98 N1 C100 122.3(9) . . ?
C204 N2 C206 126.0(8) . . ?
C204 N2 C203 109.4(5) . . ?
C206 N2 C203 124.6(9) . . ?
P2 C1 P3 116.5(7) . . ?
P1 C2 P2 117.2(6) . . ?
C4 C3 C8 122.9(13) . . ?
C4 C3 P1 117.9(11) . . ?
C8 C3 P1 119.2(10) . . ?
C3 C4 C5 113.4(13) . . ?
C3 C4 C9 119.7(13) . . ?
C5 C4 C9 126.9(13) . . ?
C6 C5 C4 122.1(14) . . ?
C7 C6 C5 118.1(15) . . ?
C6 C7 C8 126.5(16) . . ?
C7 C8 C3 116.9(13) . . ?
C11 C10 C15 121.0(13) . . ?
C11 C10 P1 124.1(11) . . ?
C15 C10 P1 114.9(11) . . ?
C10 C11 C12 116.6(14) . . ?
C10 C11 C16 125.9(14) . . ?
C12 C11 C16 117.2(15) . . ?
C13 C12 C11 121.1(16) . . ?
C12 C13 C14 121.6(15) . . ?
C13 C14 C15 118.7(15) . . ?
C10 C15 C14 120.7(15) . . ?
C22 C17 C18 117.8(12) . . ?
C22 C17 P2 122.7(9) . . ?
C18 C17 P2 118.4(9) . . ?
C17 C18 C19 118.2(13) . . ?
C20 C19 C18 120.3(14) . . ?
C19 C20 C21 119.6(15) . . ?
C22 C21 C20 120.5(16) . . ?
C21 C22 C17 123.6(14) . . ?
C28 C23 C24 123.7(16) . . ?
C28 C23 P3 114.6(13) . . ?
C24 C23 P3 121.8(13) . . ?
C23 C24 C29 126.3(17) . . ?
C23 C24 C25 111.0(19) . . ?
C29 C24 C25 121.4(16) . . ?
C26 C25 C24 125.9(19) . . ?
C25 C26 C27 117(2) . . ?
C28 C27 C26 119(2) . . ?
C23 C28 C27 122(2) . . ?
C31 C30 C35 122.0(13) . . ?
C31 C30 P3 121.3(11) . . ?
C35 C30 P3 116.5(12) . . ?
C30 C31 C32 117.7(13) . . ?
C30 C31 C36 119.5(12) . . ?
C32 C31 C36 122.5(14) . . ?
C33 C32 C31 120.7(18) . . ?
C32 C33 C34 122.1(19) . . ?
C33 C34 C35 122(2) . . ?
C34 C35 C30 115.6(17) . . ?
P4 C37 P5 115.1(7) . . ?
P6 C38 P5 110.8(7) . . ?
C44 C39 C40 119.9(3) . . ?
C44 C39 P4 117.9(4) . . ?
C40 C39 P4 122.2(2) . . ?
C41 C40 C39 119.9(2) . . ?
C41 C40 C45 116.3(8) . . ?
C39 C40 C45 123.8(8) . . ?
C42 C41 C40 120.1(4) . . ?
C43 C42 C41 120.1(4) . . ?
C42 C43 C44 120.0(4) . . ?
C43 C44 C39 120.0(4) . . ?
C51 C46 C47 105.9(4) . . ?
C51 C46 P4 123.5(3) . . ?
C47 C46 P4 130.5(3) . . ?
C48 C47 C46 125.3(2) . . ?
C48 C47 C52 115.8(6) . . ?
C46 C47 C52 118.9(6) . . ?
C47 C48 C49 125.9(3) . . ?
C48 C49 C50 110.4(3) . . ?
C51 C50 C49 113.4(4) . . ?
C46 C51 C50 139.0(4) . . ?
C58 C53 C54 121.8(15) . . ?
C58 C53 P5 119.3(13) . . ?
C54 C53 P5 119.0(11) . . ?
C53 C54 C55 121.0(16) . . ?
C54 C55 C56 117(2) . . ?
C57 C56 C55 122.3(18) . . ?
C56 C57 C58 116.9(16) . . ?
C53 C58 C57 119.6(16) . . ?
C64 C59 C60 119.7(5) . . ?
C64 C59 P6 119.2(5) . . ?
C60 C59 P6 121.1(3) . . ?
C61 C60 C59 120.2(4) . . ?
C61 C60 C65 119.4(7) . . ?
C59 C60 C65 120.4(7) . . ?
C60 C61 C62 119.9(6) . . ?
C61 C62 C63 120.0(6) . . ?
C64 C63 C62 119.9(6) . . ?
C59 C64 C63 120.3(6) . . ?
C67 C66 C71 120.4(5) . . ?
C67 C66 P6 119.0(4) . . ?
C71 C66 P6 120.1(5) . . ?
C66 C67 C68 119.9(4) . . ?
C66 C67 C72 120.6(5) . . ?
C68 C67 C72 119.5(5) . . ?
C69 C68 C67 119.7(5) . . ?
C68 C69 C70 120.4(5) . . ?
C71 C70 C69 119.8(5) . . ?
C70 C71 C66 119.8(5) . . ?
C75 C74 Pt1 173.7(9) . . ?
C74 C75 C76 176.8(12) . . ?
C77 C76 C81 120.6(10) . . ?
C77 C76 C75 119.4(10) . . ?
C81 C76 C75 119.9(10) . . ?
C76 C77 C78 120.3(11) . . ?
C79 C78 C77 121.7(10) . . ?
C78 C79 C80 116.9(7) . . ?
C78 C79 C82 123.3(6) . . ?
C80 C79 C82 119.4(7) . . ?
C81 C80 C79 123.2(11) . . ?
C80 C81 C76 117.2(11) . . ?
C83 C82 C79 109.6(5) . . ?
C83 C82 C85 109.4(5) . . ?
C79 C82 C85 109.8(4) . . ?
C83 C82 C84 109.6(4) . . ?
C79 C82 C84 109.4(4) . . ?
C85 C82 C84 109.0(5) . . ?
C87 C86 Pt1 174.9(12) . . ?
C86 C87 C88 172(2) . . ?
C87 C88 C89 122.1(14) . . ?
C87 C88 C99 118.5(12) . . ?
C89 C88 C99 117.0(11) . . ?
C88 C89 C90 123.8(14) . . ?
C89 C90 C91 117.7(13) . . ?
C98 C91 C90 117.6(12) . . ?
C98 C91 C92 109.7(12) . . ?
C90 C91 C92 132.2(12) . . ?
C93 C92 C97 118.9(13) . . ?
C93 C92 C91 135.1(14) . . ?
C97 C92 C91 106.0(11) . . ?
C92 C93 C94 122.7(14) . . ?
C93 C94 C95 117.1(12) . . ?
C106 C95 C94 118.7(12) . . ?
C106 C95 C96 121.4(13) . . ?
C94 C95 C96 119.9(12) . . ?
C97 C96 C95 117.6(14) . . ?
C96 C97 C92 123.5(12) . . ?
C96 C97 N1 129.1(14) . . ?
C92 C97 N1 107.3(11) . . ?
C99 C98 C91 124.9(13) . . ?
C99 C98 N1 131.1(13) . . ?
C91 C98 N1 103.9(10) . . ?
C98 C99 C88 118.2(11) . . ?
C101 C100 C105 115.7(6) . . ?
C101 C100 N1 122.9(8) . . ?
C105 C100 N1 121.3(8) . . ?
F1 C101 C102 123.8(7) . . ?
F1 C101 C100 116.0(7) . . ?
C102 C101 C100 120.2(5) . . ?
F2 C102 C101 119.0(9) . . ?
F2 C102 C103 117.1(9) . . ?
C101 C102 C103 123.2(5) . . ?
C104 C103 C102 117.7(7) . . ?
F4 C104 C103 119.5(9) . . ?
F4 C104 C105 121.1(9) . . ?
C103 C104 C105 118.2(8) . . ?
C104 C105 C100 125.0(8) . . ?
C104 C105 F3 113.4(8) . . ?
C100 C105 F3 120.6(8) . . ?
C107 C106 C95 176.0(14) . . ?
P8 C108 P7 117.4(6) . . ?
P8 C109 P9 117.0(7) . . ?
C115 C110 C111 122.5(14) . . ?
C115 C110 P7 122.6(11) . . ?
C111 C110 P7 114.8(12) . . ?
C112 C111 C116 121.7(16) . . ?
C112 C111 C110 114.3(16) . . ?
C116 C111 C110 124.0(15) . . ?
C113 C112 C111 122.4(15) . . ?
C114 C113 C112 121.6(16) . . ?
C113 C114 C115 122.0(19) . . ?
C110 C115 C114 116.8(16) . . ?
C118 C117 C122 121.2(14) . . ?
C118 C117 P7 124.8(13) . . ?
C122 C117 P7 114.0(9) . . ?
C117 C118 C119 117.8(16) . . ?
C117 C118 C123 127.5(16) . . ?
C119 C118 C123 114.4(14) . . ?
C120 C119 C118 120.3(16) . . ?
C119 C120 C121 124.3(18) . . ?
C120 C121 C122 114.6(19) . . ?
C117 C122 C121 121.7(15) . . ?
C125 C124 C129 118.0(13) . . ?
C125 C124 P8 123.9(10) . . ?
C129 C124 P8 117.7(10) . . ?
C124 C125 C126 121.2(15) . . ?
C127 C126 C125 123.5(16) . . ?
C126 C127 C128 119.3(15) . . ?
C127 C128 C129 117.0(17) . . ?
C124 C129 C128 120.6(15) . . ?
C135 C130 C131 117.3(12) . . ?
C135 C130 P9 122.3(9) . . ?
C131 C130 P9 120.3(11) . . ?
C132 C131 C130 118.0(15) . . ?
C132 C131 C136 122.3(13) . . ?
C130 C131 C136 119.6(13) . . ?
C131 C132 C133 122.3(14) . . ?
C134 C133 C132 119.7(14) . . ?
C133 C134 C135 120.7(15) . . ?
C134 C135 C130 121.9(14) . . ?
C138 C137 C142 119.9(4) . . ?
C138 C137 P9 126.6(3) . . ?
C142 C137 P9 113.5(3) . . ?
C137 C138 C139 120.2(3) . . ?
C137 C138 C143 120.4(4) . . ?
C139 C138 C143 119.4(4) . . ?
C140 C139 C138 119.7(4) . . ?
C139 C140 C141 120.2(4) . . ?
C142 C141 C140 120.2(4) . . ?
C141 C142 C137 119.8(4) . . ?
P10 C144 P11 113.3(6) . . ?
P12 C145 P11 112.6(7) . . ?
C151 C146 C147 120.9(12) . . ?
C151 C146 P10 119.6(11) . . ?
C147 C146 P10 119.3(10) . . ?
C148 C147 C146 118.0(13) . . ?
C148 C147 C152 119.1(14) . . ?
C146 C147 C152 122.9(13) . . ?
C147 C148 C149 118.5(15) . . ?
C150 C149 C148 123.0(17) . . ?
C149 C150 C151 120.5(15) . . ?
C146 C151 C150 119.0(14) . . ?
C154 C153 C158 119.7(3) . . ?
C154 C153 P10 127.1(2) . . ?
C158 C153 P10 113.2(3) . . ?
C153 C154 C155 120.36(19) . . ?
C153 C154 C159 120.0(3) . . ?
C155 C154 C159 119.6(3) . . ?
C154 C155 C156 119.8(3) . . ?
C157 C156 C155 120.0(4) . . ?
C158 C157 C156 120.2(4) . . ?
C157 C158 C153 120.0(4) . . ?
C165 C160 C161 120.3(4) . . ?
C165 C160 P11 119.7(3) . . ?
C161 C160 P11 120.0(3) . . ?
C160 C161 C162 119.9(3) . . ?
C163 C162 C161 119.7(3) . . ?
C162 C163 C164 120.5(4) . . ?
C163 C164 C165 119.7(4) . . ?
C160 C165 C164 120.0(3) . . ?
C171 C166 C167 119.8(4) . . ?
C171 C166 P12 114.3(3) . . ?
C167 C166 P12 125.9(3) . . ?
C168 C167 C166 119.8(2) . . ?
C168 C167 C172 117.9(6) . . ?
C166 C167 C172 122.3(7) . . ?
C169 C168 C167 120.4(3) . . ?
C168 C169 C170 119.9(4) . . ?
C171 C170 C169 119.9(3) . . ?
C170 C171 C166 120.3(4) . . ?
C174 C173 C178 120.2(3) . . ?
C174 C173 P12 118.5(2) . . ?
C178 C173 P12 121.2(3) . . ?
C173 C174 C175 119.78(19) . . ?
C173 C174 C179 123.0(6) . . ?
C175 C174 C179 117.2(6) . . ?
C176 C175 C174 120.1(3) . . ?
C175 C176 C177 120.1(4) . . ?
C178 C177 C176 119.8(4) . . ?
C177 C178 C173 120.0(4) . . ?
C181 C180 Pt2 171.4(2) . . ?
C180 C181 C182 178.4(4) . . ?
C183 C182 C187 119.7(7) . . ?
C183 C182 C181 118.2(5) . . ?
C187 C182 C181 122.0(5) . . ?
C182 C183 C184 118.3(8) . . ?
C185 C184 C183 123.0(8) . . ?
C184 C185 C186 116.8(7) . . ?
C184 C185 C188 120.0(7) . . ?
C186 C185 C188 123.1(8) . . ?
C187 C186 C185 121.6(8) . . ?
C186 C187 C182 120.0(7) . . ?
C190 C188 C189 110.4(14) . . ?
C190 C188 C191 103.2(14) . . ?
C189 C188 C191 113.0(14) . . ?
C190 C188 C185 110.1(11) . . ?
C189 C188 C185 111.2(10) . . ?
C191 C188 C185 108.6(12) . . ?
C193 C192 Pt2 173.9(11) . . ?
C192 C193 C194 176.5(13) . . ?
C195 C194 C205 125.1(5) . . ?
C195 C194 C193 115.6(6) . . ?
C205 C194 C193 119.2(5) . . ?
C194 C195 C196 118.4(3) . . ?
C195 C196 C197 118.1(3) . . ?
C196 C197 C204 121.4(6) . . ?
C196 C197 C198 135.4(4) . . ?
C204 C197 C198 103.2(5) . . ?
C199 C198 C203 118.1(7) . . ?
C199 C198 C197 132.1(6) . . ?
C203 C198 C197 109.8(5) . . ?
C198 C199 C200 120.2(6) . . ?
C201 C200 C199 120.2(6) . . ?
C202 C201 C200 120.4(8) . . ?
C202 C201 C212 117.6(6) . . ?
C200 C201 C212 122.0(6) . . ?
C203 C202 C201 118.2(6) . . ?
C202 C203 N2 130.6(6) . . ?
C202 C203 C198 122.8(6) . . ?
N2 C203 C198 106.7(7) . . ?
N2 C204 C205 126.9(5) . . ?
N2 C204 C197 111.0(6) . . ?
C205 C204 C197 122.1(7) . . ?
C204 C205 C194 114.9(5) . . ?
N2 C206 C207 124.8(4) . . ?
N2 C206 C211 120.3(5) . . ?
C207 C206 C211 114.9(5) . . ?
F5 C207 C206 118.5(8) . . ?
F5 C207 C208 119.4(8) . . ?
C206 C207 C208 122.1(4) . . ?
F6 C208 C209 121.3(10) . . ?
F6 C208 C207 117.2(9) . . ?
C209 C208 C207 121.5(5) . . ?
C210 C209 C208 117.7(6) . . ?
F7 C210 C211 121.8(9) . . ?
F7 C210 C209 118.1(9) . . ?
C211 C210 C209 119.4(8) . . ?
C210 C211 F8 114.5(8) . . ?
C210 C211 C206 124.5(8) . . ?
F8 C211 C206 121.0(8) . . ?
C213 C212 C201 172.8(7) . . ?
F10 C214 F11 105.2(17) . . ?
F10 C214 F9 113.6(16) . . ?
F11 C214 F9 106.0(17) . . ?
F10 C214 S1 109.4(14) . . ?
F11 C214 S1 111.0(15) . . ?
F9 C214 S1 111.5(13) . . ?
F12 C215 F14 119(2) . . ?
F12 C215 F13 107(2) . . ?
F14 C215 F13 102.4(14) . . ?
F12 C215 S2 111.1(15) . . ?
F14 C215 S2 111.4(11) . . ?
F13 C215 S2 104.8(14) . . ?
F17 C216 F16 105.5(18) . . ?
F17 C216 F15 120(3) . . ?
F16 C216 F15 105(2) . . ?
F17 C216 S3 108(2) . . ?
F16 C216 S3 110(2) . . ?
F15 C216 S3 107.0(15) . . ?
F19 C217 F20 108.1(6) . . ?
F19 C217 F18 107.8(6) . . ?
F20 C217 F18 108.2(5) . . ?
F19 C217 S4 111.7(5) . . ?
F20 C217 S4 110.8(5) . . ?
F18 C217 S4 110.2(5) . . ?
 
_refine_diff_density_max    5.474
_refine_diff_density_min   -2.336
_refine_diff_density_rms    0.215



