 
data_1_a
 
_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C48 H94 Cl5 N6 P4 Rh U2' 
_chemical_formula_weight          1635.39

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'
 'Cl'  'Cl'   0.1484   0.1585
 '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'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Rh'  'Rh'  -1.1178   0.9187
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'U'  'U'  -9.6767   9.6646
 '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                    12.3662(5)
_cell_length_b                    14.2438(7)
_cell_length_c                    19.4960(7)
_cell_angle_alpha                 87.3920(10)
_cell_angle_beta                  78.4580(10)
_cell_angle_gamma                 64.7550(10)
_cell_volume                      3040.2(2)
_cell_formula_units_Z             2
_cell_measurement_temperature     193(2)
_cell_measurement_reflns_used     9867
_cell_measurement_theta_min       2.29
_cell_measurement_theta_max       27.47
 
_exptl_crystal_description        'BLOCK'
_exptl_crystal_colour             'brown'
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.786          
_exptl_crystal_F_000              1596
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.100
_exptl_crystal_size_mid           0.100
_exptl_crystal_size_min           0.100
_exptl_absorpt_coefficient_mu     5.944
_shelx_estimated_absorpt_T_min    0.588
_shelx_estimated_absorpt_T_max    0.588
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       193(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             22644
_diffrn_reflns_av_unetI/netI      0.0551
_diffrn_reflns_av_R_equivalents   0.0418
_diffrn_reflns_limit_h_min        -12
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_k_max        16
_diffrn_reflns_limit_l_min        -23
_diffrn_reflns_limit_l_max        23
_diffrn_reflns_theta_min          1.987
_diffrn_reflns_theta_max          24.996
_diffrn_reflns_theta_full         24.996
_diffrn_measured_fraction_theta_max   0.991
_diffrn_measured_fraction_theta_full  0.991
_diffrn_reflns_Laue_measured_fraction_max    0.991
_diffrn_reflns_Laue_measured_fraction_full   0.991
_diffrn_reflns_point_group_measured_fraction_max   0.991
_diffrn_reflns_point_group_measured_fraction_full  0.991
_reflns_number_total              10593
_reflns_number_gt                 9275
_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.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0494P)²+5.8457P] 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          10593
_refine_ls_number_parameters      591
_refine_ls_number_restraints      84
_refine_ls_R_factor_all           0.0447
_refine_ls_R_factor_gt            0.0379
_refine_ls_wR_factor_ref          0.1030
_refine_ls_wR_factor_gt           0.0991
_refine_ls_goodness_of_fit_ref    1.046
_refine_ls_restrained_S_all       1.050
_refine_ls_shift/su_max           0.002
_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
U1 U 0.92872(2) 0.11662(2) 0.81524(2) 0.02477(8) Uani 1 1 d . . . . .
U2 U 0.54782(2) 0.31810(2) 0.72328(2) 0.03323(8) Uani 1 1 d . . . . .
Rh1 Rh 0.83680(4) 0.26751(4) 0.68429(2) 0.02663(12) Uani 1 1 d . . . . .
Cl1 Cl 0.99960(13) 0.09939(12) 0.67142(7) 0.0318(3) Uani 1 1 d . . . . .
Cl5 Cl 0.67697(13) 0.18274(13) 0.81686(8) 0.0358(4) Uani 1 1 d . . . . .
Cl3 Cl 0.67674(14) 0.43662(13) 0.69493(8) 0.0370(4) Uani 1 1 d . . . . .
Cl2 Cl 0.85381(15) 0.16617(13) 0.95045(8) 0.0386(4) Uani 1 1 d . . . . .
P1 P 0.93160(15) 0.32898(13) 0.75175(8) 0.0311(4) Uani 1 1 d . . . . .
P3 P 0.77055(15) 0.22183(14) 0.59255(8) 0.0312(4) Uani 1 1 d . . . . .
P2 P 0.92872(16) -0.09507(13) 0.80397(8) 0.0321(4) Uani 1 1 d . . . . .
Cl4 Cl 0.43284(16) 0.19724(17) 0.72668(10) 0.0500(5) Uani 1 1 d . . . . .
P4 P 0.41268(16) 0.45431(16) 0.85590(9) 0.0421(4) Uani 1 1 d . . . . .
N3 N 1.1440(5) 0.0525(4) 0.8445(3) 0.0327(12) Uani 1 1 d . . . . .
N1 N 1.0038(5) 0.2381(4) 0.8033(2) 0.0302(11) Uani 1 1 d . . . . .
N2 N 1.0168(5) -0.0514(4) 0.8353(2) 0.0307(12) Uani 1 1 d . . . . .
N6 N 0.3942(5) 0.4261(5) 0.6437(3) 0.0426(15) Uani 1 1 d . . . . .
N4 N 0.6182(5) 0.2783(5) 0.6071(3) 0.0367(13) Uani 1 1 d . . . . .
N5 N 0.3752(5) 0.4418(5) 0.7795(3) 0.0430(14) Uani 1 1 d . . . . .
C4 C 1.1598(6) -0.0328(5) 0.8931(4) 0.0413(17) Uani 1 1 d . . . . .
H4A H 1.1081 -0.0044 0.9398 0.050 Uiso 1 1 calc R U . . .
H4B H 1.2459 -0.0675 0.8984 0.050 Uiso 1 1 calc R U . . .
C1 C 1.1070(7) 0.2352(6) 0.8321(4) 0.0420(16) Uani 1 1 d . . . . .
H1A H 1.0810 0.2996 0.8607 0.050 Uiso 1 1 calc R U . . .
H1B H 1.1748 0.2304 0.7933 0.050 Uiso 1 1 calc R U . . .
C23 C 0.8283(6) 0.2704(6) 0.5102(3) 0.0380(16) Uani 1 1 d . . . . .
H23 H 0.7889 0.2606 0.4727 0.046 Uiso 1 1 calc R U . . .
C26 C 0.8212(6) 0.0833(5) 0.5701(3) 0.0370(15) Uani 1 1 d . . . . .
H26 H 0.9122 0.0489 0.5637 0.044 Uiso 1 1 calc R U . . .
C11 C 1.0457(7) 0.3607(6) 0.6924(4) 0.0472(18) Uani 1 1 d . . . . .
H11 H 1.0909 0.3806 0.7219 0.057 Uiso 1 1 calc R U . . .
C3 C 1.1247(6) -0.1105(5) 0.8653(4) 0.0420(17) Uani 1 1 d . . . . .
H3A H 1.1924 -0.1577 0.8289 0.050 Uiso 1 1 calc R U . . .
H3B H 1.1061 -0.1527 0.9036 0.050 Uiso 1 1 calc R U . . .
C24 C 0.7978(7) 0.3856(6) 0.5174(4) 0.0458(18) Uani 1 1 d . . . . .
H24A H 0.7091 0.4257 0.5297 0.069 Uiso 1 1 calc R U . . .
H24B H 0.8297 0.4083 0.4729 0.069 Uiso 1 1 calc R U . . .
H24C H 0.8350 0.3967 0.5544 0.069 Uiso 1 1 calc R U . . .
C9 C 0.2704(7) 0.4572(8) 0.6864(4) 0.059(2) Uani 1 1 d . . . . .
H9A H 0.2528 0.3955 0.6945 0.071 Uiso 1 1 calc R U . . .
H9B H 0.2095 0.5076 0.6611 0.071 Uiso 1 1 calc R U . . .
C6 C 0.5483(6) 0.3068(7) 0.5508(3) 0.0459(18) Uani 1 1 d . . . . .
H6A H 0.5661 0.2439 0.5226 0.055 Uiso 1 1 calc R U . . .
H6B H 0.5713 0.3548 0.5194 0.055 Uiso 1 1 calc R U . . .
C17 C 1.0348(7) -0.2101(6) 0.7464(3) 0.0440(17) Uani 1 1 d . . . . .
H17 H 1.0901 -0.2617 0.7747 0.053 Uiso 1 1 calc R U . . .
C5 C 1.2383(6) 0.0151(7) 0.7801(4) 0.050(2) Uani 1 1 d . . . . .
H5A H 1.2333 -0.0431 0.7583 0.075 Uiso 1 1 calc R U . . .
H5B H 1.3190 -0.0079 0.7917 0.075 Uiso 1 1 calc R U . . .
H5C H 1.2253 0.0716 0.7475 0.075 Uiso 1 1 calc R U . . .
C14 C 0.8374(7) 0.4513(5) 0.8062(3) 0.0393(16) Uani 1 1 d . . . . .
H14 H 0.7837 0.5019 0.7766 0.047 Uiso 1 1 calc R U . . .
C10 C 0.4138(7) 0.5182(7) 0.6204(4) 0.054(2) Uani 1 1 d . . . . .
H10A H 0.4088 0.5585 0.6612 0.082 Uiso 1 1 calc R U . . .
H10B H 0.3511 0.5612 0.5943 0.082 Uiso 1 1 calc R U . . .
H10C H 0.4946 0.4962 0.5900 0.082 Uiso 1 1 calc R U . . .
C2 C 1.1493(6) 0.1413(6) 0.8769(4) 0.0430(17) Uani 1 1 d . . . . .
H2A H 1.2340 0.1230 0.8819 0.052 Uiso 1 1 calc R U . . .
H2B H 1.0965 0.1583 0.9242 0.052 Uiso 1 1 calc R U . . .
C27 C 0.7883(7) 0.0622(6) 0.5026(4) 0.0505(19) Uani 1 1 d . . . . .
H27A H 0.6993 0.0918 0.5082 0.076 Uiso 1 1 calc R U . . .
H27B H 0.8228 -0.0129 0.4928 0.076 Uiso 1 1 calc R U . . .
H27C H 0.8217 0.0942 0.4636 0.076 Uiso 1 1 calc R U . . .
C25 C 0.9658(7) 0.2084(6) 0.4879(4) 0.0458(18) Uani 1 1 d . . . . .
H25A H 1.0047 0.2068 0.5274 0.069 Uiso 1 1 calc R U . . .
H25B H 0.9970 0.2413 0.4485 0.069 Uiso 1 1 calc R U . . .
H25C H 0.9841 0.1373 0.4736 0.069 Uiso 1 1 calc R U . . .
C7 C 0.4148(7) 0.3586(7) 0.5835(4) 0.052(2) Uani 1 1 d . . . . .
H7A H 0.3683 0.4002 0.5484 0.063 Uiso 1 1 calc R U . . .
H7B H 0.3851 0.3050 0.5988 0.063 Uiso 1 1 calc R U . . .
C18 C 1.1129(7) -0.1809(6) 0.6863(4) 0.0490(19) Uani 1 1 d . . . . .
H18A H 1.0601 -0.1292 0.6584 0.074 Uiso 1 1 calc R U . . .
H18B H 1.1687 -0.2430 0.6566 0.074 Uiso 1 1 calc R U . . .
H18C H 1.1601 -0.1517 0.7054 0.074 Uiso 1 1 calc R U . . .
C16 C 0.7542(7) 0.4282(6) 0.8669(4) 0.0458(18) Uani 1 1 d . . . . .
H16A H 0.7037 0.4021 0.8484 0.069 Uiso 1 1 calc R U . . .
H16B H 0.7015 0.4921 0.8957 0.069 Uiso 1 1 calc R U . . .
H16C H 0.8041 0.3758 0.8957 0.069 Uiso 1 1 calc R U . . .
C29 C 0.3635(7) 0.5948(6) 0.8736(4) 0.055(2) Uani 1 1 d . . . . .
H29 H 0.2732 0.6318 0.8772 0.066 Uiso 1 1 calc R U . . .
C20 C 0.8574(7) -0.1518(6) 0.8763(3) 0.0424(17) Uani 1 1 d . . . . .
H20 H 0.7971 -0.1677 0.8577 0.051 Uiso 1 1 calc R U . . .
C28 C 0.7696(7) 0.0332(6) 0.6323(4) 0.0454(17) Uani 1 1 d . . . . .
H28A H 0.7952 0.0440 0.6746 0.068 Uiso 1 1 calc R U . . .
H28B H 0.8006 -0.0414 0.6218 0.068 Uiso 1 1 calc R U . . .
H28C H 0.6803 0.0654 0.6400 0.068 Uiso 1 1 calc R U . . .
C12 C 1.1388(7) 0.2673(7) 0.6445(4) 0.056(2) Uani 1 1 d . . . . .
H12A H 1.1808 0.2099 0.6730 0.085 Uiso 1 1 calc R U . . .
H12B H 1.1986 0.2869 0.6141 0.085 Uiso 1 1 calc R U . . .
H12C H 1.0966 0.2454 0.6155 0.085 Uiso 1 1 calc R U . . .
C32 C 0.3137(7) 0.4210(7) 0.9278(4) 0.053(2) Uani 1 1 d . . . . .
H32 H 0.3489 0.4144 0.9706 0.064 Uiso 1 1 calc R U . . .
C19 C 0.9638(9) -0.2604(6) 0.7184(4) 0.060(2) Uani 1 1 d . . . . .
H19A H 0.9243 -0.2881 0.7574 0.090 Uiso 1 1 calc R U . . .
H19B H 1.0201 -0.3170 0.6844 0.090 Uiso 1 1 calc R U . . .
H19C H 0.9016 -0.2082 0.6956 0.090 Uiso 1 1 calc R U . . .
C30 C 0.4255(7) 0.6368(6) 0.8131(5) 0.059(2) Uani 1 1 d . . . . .
H30A H 0.5142 0.6003 0.8087 0.089 Uiso 1 1 calc R U . . .
H30B H 0.3991 0.7113 0.8220 0.089 Uiso 1 1 calc R U . . .
H30C H 0.4033 0.6260 0.7696 0.089 Uiso 1 1 calc R U . . .
C22 C 0.7839(7) -0.0682(6) 0.9345(4) 0.0487(18) Uani 1 1 d . . . . .
H22A H 0.8397 -0.0535 0.9569 0.073 Uiso 1 1 calc R U . . .
H22B H 0.7338 -0.0925 0.9694 0.073 Uiso 1 1 calc R U . . .
H22C H 0.7310 -0.0047 0.9146 0.073 Uiso 1 1 calc R U . . .
C21 C 0.9389(8) -0.2510(6) 0.9056(4) 0.058(2) Uani 1 1 d . . . . .
H21A H 0.9844 -0.3042 0.8676 0.086 Uiso 1 1 calc R U . . .
H21B H 0.8889 -0.2751 0.9407 0.086 Uiso 1 1 calc R U . . .
H21C H 0.9963 -0.2380 0.9275 0.086 Uiso 1 1 calc R U . . .
C13 C 0.9836(9) 0.4544(8) 0.6491(4) 0.067(3) Uani 1 1 d . . . . .
H13A H 0.9360 0.4379 0.6210 0.101 Uiso 1 1 calc R U . . .
H13B H 1.0459 0.4702 0.6180 0.101 Uiso 1 1 calc R U . . .
H13C H 0.9292 0.5148 0.6807 0.101 Uiso 1 1 calc R U . . .
C31 C 0.3939(8) 0.6122(7) 0.9420(5) 0.066(2) Uani 1 1 d . . . . .
H31A H 0.3529 0.5845 0.9802 0.099 Uiso 1 1 calc R U . . .
H31B H 0.3661 0.6868 0.9511 0.099 Uiso 1 1 calc R U . . .
H31C H 0.4823 0.5765 0.9389 0.099 Uiso 1 1 calc R U . . .
C15 C 0.9066(9) 0.5038(7) 0.8331(5) 0.064(2) Uani 1 1 d . . . . .
H15A H 0.9468 0.4629 0.8700 0.096 Uiso 1 1 calc R U . . .
H15B H 0.8493 0.5738 0.8522 0.096 Uiso 1 1 calc R U . . .
H15C H 0.9681 0.5084 0.7945 0.096 Uiso 1 1 calc R U . . .
C33 C 0.1797(7) 0.4978(9) 0.9473(5) 0.081(3) Uani 1 1 d . . . . .
H33A H 0.1737 0.5659 0.9599 0.122 Uiso 1 1 calc R U . . .
H33B H 0.1387 0.4728 0.9873 0.122 Uiso 1 1 calc R U . . .
H33C H 0.1405 0.5040 0.9073 0.122 Uiso 1 1 calc R U . . .
C8 C 0.2613(7) 0.5062(8) 0.7562(4) 0.061(2) Uani 1 1 d . . . . .
H8A H 0.2520 0.5785 0.7505 0.073 Uiso 1 1 calc R U . . .
H8B H 0.1903 0.5069 0.7908 0.073 Uiso 1 1 calc R U . . .
C34 C 0.3237(10) 0.3150(8) 0.9104(5) 0.075(3) Uani 1 1 d . . . . .
H34A H 0.2857 0.3190 0.8702 0.113 Uiso 1 1 calc R U . . .
H34B H 0.2820 0.2915 0.9509 0.113 Uiso 1 1 calc R U . . .
H34C H 0.4099 0.2657 0.8989 0.113 Uiso 1 1 calc R U . . .
C1A C 0.4858(14) 0.8277(15) 0.9748(9) 0.156(6) Uani 1 1 d . U . . .
H1A1 H 0.4009 0.8386 0.9793 0.234 Uiso 1 1 calc R U . . .
H1A2 H 0.4901 0.8746 1.0084 0.234 Uiso 1 1 calc R U . . .
H1A3 H 0.5357 0.7556 0.9844 0.234 Uiso 1 1 calc R U . . .
C2A C 0.5303(7) 0.8488(8) 0.9057(4) 0.099(3) Uani 1 1 d G U . . .
C3A C 0.5094(6) 0.9509(6) 0.8915(5) 0.109(3) Uani 1 1 d G U . . .
H3A1 H 0.4695 1.0035 0.9280 0.130 Uiso 1 1 calc R U . . .
C4A C 0.5471(7) 0.9761(6) 0.8240(6) 0.123(4) Uani 1 1 d G U . . .
H4A1 H 0.5328 1.0459 0.8143 0.147 Uiso 1 1 calc R U . . .
C5A C 0.6055(7) 0.8992(9) 0.7707(4) 0.120(4) Uani 1 1 d G U . . .
H5A1 H 0.6312 0.9164 0.7245 0.145 Uiso 1 1 calc R U . . .
C6A C 0.6263(7) 0.7970(8) 0.7848(5) 0.122(4) Uani 1 1 d G U . . .
H6A1 H 0.6663 0.7444 0.7484 0.146 Uiso 1 1 calc R U . . .
C7A C 0.5887(7) 0.7718(6) 0.8524(6) 0.102(3) Uani 1 1 d G U . . .
H7A1 H 0.6030 0.7020 0.8620 0.122 Uiso 1 1 calc R U . . .
C8A C 0.4374(17) 0.9892(12) 0.6008(8) 0.155(6) Uani 1 1 d . U . . .
H8A1 H 0.4402 1.0174 0.6450 0.232 Uiso 1 1 calc R U . . .
H8A2 H 0.3543 0.9977 0.6016 0.232 Uiso 1 1 calc R U . . .
H8A3 H 0.4618 1.0265 0.5618 0.232 Uiso 1 1 calc R U . . .
C9A C 0.5168(8) 0.8844(5) 0.5924(4) 0.095(3) Uani 1 1 d G U . . .
C10A C 0.4724(7) 0.8144(7) 0.6229(4) 0.093(3) Uani 1 1 d G U . . .
H10D H 0.3889 0.8383 0.6448 0.112 Uiso 1 1 calc R U . . .
C11A C 0.5502(10) 0.7092(7) 0.6212(4) 0.103(3) Uani 1 1 d G U . . .
H11A H 0.5199 0.6614 0.6420 0.123 Uiso 1 1 calc R U . . .
C12A C 0.6725(9) 0.6741(5) 0.5890(4) 0.124(4) Uani 1 1 d G U . . .
H12D H 0.7257 0.6023 0.5879 0.149 Uiso 1 1 calc R U . . .
C13A C 0.7169(6) 0.7442(8) 0.5586(4) 0.118(4) Uani 1 1 d G U . . .
H13D H 0.8004 0.7202 0.5366 0.142 Uiso 1 1 calc R U . . .
C14A C 0.6391(8) 0.8493(7) 0.5603(4) 0.092(3) Uani 1 1 d G U . . .
H14A H 0.6694 0.8972 0.5395 0.110 Uiso 1 1 calc R 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
U1 N2 2.221(5) . ?
U1 N1 2.271(5) . ?
U1 N3 2.595(5) . ?
U1 Cl2 2.6343(15) . ?
U1 Cl1 2.7543(14) . ?
U1 Cl5 2.8359(15) . ?
U1 P2 3.0332(18) . ?
U1 P1 3.2275(17) . ?
U1 Rh1 3.3177(5) . ?
U2 N5 2.212(6) . ?
U2 N4 2.262(5) . ?
U2 N6 2.617(5) . ?
U2 Cl4 2.651(2) . ?
U2 Cl3 2.7486(17) . ?
U2 Cl5 2.7957(14) . ?
U2 P4 3.0338(19) . ?
U2 P3 3.2014(16) . ?
U2 Rh1 3.2609(5) . ?
Rh1 P3 2.3324(16) . ?
Rh1 P1 2.3385(17) . ?
Rh1 Cl3 2.3616(17) . ?
Rh1 Cl1 2.3644(16) . ?
P1 N1 1.655(5) . ?
P1 C11 1.837(7) . ?
P1 C14 1.860(7) . ?
P3 N4 1.671(5) . ?
P3 C26 1.842(7) . ?
P3 C23 1.851(6) . ?
P2 N2 1.680(5) . ?
P2 C17 1.847(7) . ?
P2 C20 1.851(7) . ?
P4 N5 1.684(6) . ?
P4 C29 1.853(8) . ?
P4 C32 1.854(7) . ?
N3 C5 1.470(9) . ?
N3 C2 1.472(9) . ?
N3 C4 1.476(8) . ?
N1 C1 1.477(8) . ?
N2 C3 1.463(8) . ?
N6 C7 1.464(10) . ?
N6 C10 1.470(10) . ?
N6 C9 1.475(9) . ?
N4 C6 1.470(8) . ?
N5 C8 1.466(9) . ?
C4 C3 1.505(10) . ?
C1 C2 1.518(10) . ?
C23 C25 1.522(10) . ?
C23 C24 1.525(10) . ?
C26 C27 1.531(9) . ?
C26 C28 1.545(10) . ?
C11 C12 1.531(11) . ?
C11 C13 1.538(11) . ?
C9 C8 1.521(12) . ?
C6 C7 1.503(10) . ?
C17 C18 1.524(11) . ?
C17 C19 1.531(11) . ?
C14 C15 1.526(10) . ?
C14 C16 1.527(10) . ?
C29 C31 1.514(12) . ?
C29 C30 1.517(11) . ?
C20 C21 1.510(10) . ?
C20 C22 1.522(10) . ?
C32 C34 1.510(13) . ?
C32 C33 1.526(11) . ?
C1A C2A 1.419(17) . ?
C2A C3A 1.3900 . ?
C2A C7A 1.3900 . ?
C3A C4A 1.3900 . ?
C4A C5A 1.3900 . ?
C5A C6A 1.3900 . ?
C6A C7A 1.3900 . ?
C8A C9A 1.388(15) . ?
C9A C10A 1.3900 . ?
C9A C14A 1.3900 . ?
C10A C11A 1.3900 . ?
C11A C12A 1.3900 . ?
C12A C13A 1.3900 . ?
C13A C14A 1.3900 . ?
 
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
N2 U1 N1 130.68(19) . . ?
N2 U1 N3 65.15(18) . . ?
N1 U1 N3 65.98(18) . . ?
N2 U1 Cl2 91.63(13) . . ?
N1 U1 Cl2 89.25(13) . . ?
N3 U1 Cl2 83.61(12) . . ?
N2 U1 Cl1 97.56(13) . . ?
N1 U1 Cl1 82.56(13) . . ?
N3 U1 Cl1 97.59(12) . . ?
Cl2 U1 Cl1 170.36(5) . . ?
N2 U1 Cl5 110.84(14) . . ?
N1 U1 Cl5 118.27(13) . . ?
N3 U1 Cl5 166.78(12) . . ?
Cl2 U1 Cl5 83.94(5) . . ?
Cl1 U1 Cl5 95.43(4) . . ?
N2 U1 P2 32.93(13) . . ?
N1 U1 P2 157.99(13) . . ?
N3 U1 P2 97.15(13) . . ?
Cl2 U1 P2 103.34(5) . . ?
Cl1 U1 P2 86.04(5) . . ?
Cl5 U1 P2 81.44(5) . . ?
N2 U1 P1 153.17(14) . . ?
N1 U1 P1 28.89(13) . . ?
N3 U1 P1 93.28(13) . . ?
Cl2 U1 P1 102.05(5) . . ?
Cl1 U1 P1 68.37(4) . . ?
Cl5 U1 P1 93.64(5) . . ?
P2 U1 P1 153.44(4) . . ?
N2 U1 Rh1 138.90(12) . . ?
N1 U1 Rh1 69.63(12) . . ?
N3 U1 Rh1 124.61(12) . . ?
Cl2 U1 Rh1 127.35(4) . . ?
Cl1 U1 Rh1 44.65(3) . . ?
Cl5 U1 Rh1 67.18(3) . . ?
P2 U1 Rh1 113.91(3) . . ?
P1 U1 Rh1 41.84(3) . . ?
N5 U2 N4 130.06(19) . . ?
N5 U2 N6 65.11(19) . . ?
N4 U2 N6 65.13(18) . . ?
N5 U2 Cl4 88.53(17) . . ?
N4 U2 Cl4 88.83(15) . . ?
N6 U2 Cl4 82.09(15) . . ?
N5 U2 Cl3 97.04(17) . . ?
N4 U2 Cl3 81.24(15) . . ?
N6 U2 Cl3 92.71(14) . . ?
Cl4 U2 Cl3 170.01(5) . . ?
N5 U2 Cl5 111.14(15) . . ?
N4 U2 Cl5 118.38(14) . . ?
N6 U2 Cl5 167.54(14) . . ?
Cl4 U2 Cl5 85.98(5) . . ?
Cl3 U2 Cl5 99.62(5) . . ?
N5 U2 P4 32.96(15) . . ?
N4 U2 P4 157.61(15) . . ?
N6 U2 P4 96.79(14) . . ?
Cl4 U2 P4 102.17(6) . . ?
Cl3 U2 P4 86.86(5) . . ?
Cl5 U2 P4 82.19(5) . . ?
N5 U2 P3 153.72(15) . . ?
N4 U2 P3 29.74(13) . . ?
N6 U2 P3 93.01(13) . . ?
Cl4 U2 P3 103.34(5) . . ?
Cl3 U2 P3 68.28(5) . . ?
Cl5 U2 P3 93.24(4) . . ?
P4 U2 P3 153.68(5) . . ?
N5 U2 Rh1 138.19(17) . . ?
N4 U2 Rh1 70.58(13) . . ?
N6 U2 Rh1 122.72(12) . . ?
Cl4 U2 Rh1 131.75(4) . . ?
Cl3 U2 Rh1 45.29(3) . . ?
Cl5 U2 Rh1 68.45(3) . . ?
P4 U2 Rh1 113.31(4) . . ?
P3 U2 Rh1 42.30(3) . . ?
P3 Rh1 P1 164.63(6) . . ?
P3 Rh1 Cl3 91.42(6) . . ?
P1 Rh1 Cl3 87.85(6) . . ?
P3 Rh1 Cl1 88.36(6) . . ?
P1 Rh1 Cl1 92.02(6) . . ?
Cl3 Rh1 Cl1 178.67(6) . . ?
P3 Rh1 U2 67.49(4) . . ?
P1 Rh1 U2 123.61(5) . . ?
Cl3 Rh1 U2 55.81(4) . . ?
Cl1 Rh1 U2 125.23(4) . . ?
P3 Rh1 U1 124.56(5) . . ?
P1 Rh1 U1 67.02(4) . . ?
Cl3 Rh1 U1 126.13(4) . . ?
Cl1 Rh1 U1 54.94(3) . . ?
U2 Rh1 U1 98.977(13) . . ?
Rh1 Cl1 U1 80.41(4) . . ?
U2 Cl5 U1 125.28(6) . . ?
Rh1 Cl3 U2 78.90(5) . . ?
N1 P1 C11 107.8(3) . . ?
N1 P1 C14 107.9(3) . . ?
C11 P1 C14 102.9(4) . . ?
N1 P1 Rh1 110.5(2) . . ?
C11 P1 Rh1 108.5(2) . . ?
C14 P1 Rh1 118.6(2) . . ?
N1 P1 U1 41.53(18) . . ?
C11 P1 U1 134.2(3) . . ?
C14 P1 U1 117.6(2) . . ?
Rh1 P1 U1 71.15(4) . . ?
N4 P3 C26 107.7(3) . . ?
N4 P3 C23 108.1(3) . . ?
C26 P3 C23 103.0(3) . . ?
N4 P3 Rh1 109.6(2) . . ?
C26 P3 Rh1 119.1(2) . . ?
C23 P3 Rh1 108.9(2) . . ?
N4 P3 U2 42.19(18) . . ?
C26 P3 U2 115.7(2) . . ?
C23 P3 U2 136.2(2) . . ?
Rh1 P3 U2 70.21(4) . . ?
N2 P2 C17 105.9(3) . . ?
N2 P2 C20 108.6(3) . . ?
C17 P2 C20 102.6(3) . . ?
N2 P2 U1 45.91(18) . . ?
C17 P2 U1 130.2(3) . . ?
C20 P2 U1 123.7(2) . . ?
N5 P4 C29 107.2(3) . . ?
N5 P4 C32 108.6(4) . . ?
C29 P4 C32 103.1(4) . . ?
N5 P4 U2 45.62(19) . . ?
C29 P4 U2 131.1(3) . . ?
C32 P4 U2 122.7(3) . . ?
C5 N3 C2 109.8(6) . . ?
C5 N3 C4 110.1(6) . . ?
C2 N3 C4 111.5(5) . . ?
C5 N3 U1 110.2(4) . . ?
C2 N3 U1 107.4(4) . . ?
C4 N3 U1 107.8(4) . . ?
C1 N1 P1 123.7(5) . . ?
C1 N1 U1 126.5(4) . . ?
P1 N1 U1 109.6(3) . . ?
C3 N2 P2 128.6(5) . . ?
C3 N2 U1 130.2(4) . . ?
P2 N2 U1 101.2(2) . . ?
C7 N6 C10 110.4(6) . . ?
C7 N6 C9 111.0(6) . . ?
C10 N6 C9 110.5(7) . . ?
C7 N6 U2 107.6(4) . . ?
C10 N6 U2 110.3(4) . . ?
C9 N6 U2 106.9(4) . . ?
C6 N4 P3 123.4(4) . . ?
C6 N4 U2 128.1(4) . . ?
P3 N4 U2 108.1(2) . . ?
C8 N5 P4 127.3(5) . . ?
C8 N5 U2 131.0(5) . . ?
P4 N5 U2 101.4(3) . . ?
N3 C4 C3 109.9(5) . . ?
N1 C1 C2 108.8(6) . . ?
C25 C23 C24 109.5(6) . . ?
C25 C23 P3 110.3(5) . . ?
C24 C23 P3 111.9(5) . . ?
C27 C26 C28 110.3(6) . . ?
C27 C26 P3 114.5(5) . . ?
C28 C26 P3 109.2(5) . . ?
C12 C11 C13 110.8(7) . . ?
C12 C11 P1 111.9(5) . . ?
C13 C11 P1 110.8(6) . . ?
N2 C3 C4 107.0(5) . . ?
N6 C9 C8 109.6(6) . . ?
N4 C6 C7 108.3(5) . . ?
C18 C17 C19 110.9(6) . . ?
C18 C17 P2 110.8(5) . . ?
C19 C17 P2 110.3(6) . . ?
C15 C14 C16 110.7(6) . . ?
C15 C14 P1 116.4(6) . . ?
C16 C14 P1 107.7(5) . . ?
N3 C2 C1 110.1(5) . . ?
N6 C7 C6 110.5(6) . . ?
C31 C29 C30 110.9(8) . . ?
C31 C29 P4 110.3(6) . . ?
C30 C29 P4 109.2(5) . . ?
C21 C20 C22 110.6(6) . . ?
C21 C20 P2 118.1(5) . . ?
C22 C20 P2 108.2(5) . . ?
C34 C32 C33 109.8(8) . . ?
C34 C32 P4 108.4(5) . . ?
C33 C32 P4 117.6(6) . . ?
N5 C8 C9 106.0(6) . . ?
C3A C2A C7A 120.0 . . ?
C3A C2A C1A 117.8(11) . . ?
C7A C2A C1A 122.1(11) . . ?
C4A C3A C2A 120.0 . . ?
C3A C4A C5A 120.0 . . ?
C6A C5A C4A 120.0 . . ?
C5A C6A C7A 120.0 . . ?
C6A C7A C2A 120.0 . . ?
C8A C9A C10A 117.3(11) . . ?
C8A C9A C14A 122.4(11) . . ?
C10A C9A C14A 120.0 . . ?
C11A C10A C9A 120.0 . . ?
C10A C11A C12A 120.0 . . ?
C13A C12A C11A 120.0 . . ?
C12A C13A C14A 120.0 . . ?
C13A C14A C9A 120.0 . . ?
 
_refine_diff_density_max    2.537
_refine_diff_density_min   -1.710
_refine_diff_density_rms    0.152



