#------------------------------------------------------------------------------
#$Date: 2023-10-05 01:52:59 +0300 (Thu, 05 Oct 2023) $
#$Revision: 286660 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/41/7714109.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7714109
loop_
_publ_author_name
'Zang, Yipeng'
'Wang, Yuyue'
'Sang, Rui-Li'
'Xu, Li'
_publ_section_title
;
 Dimeric polybismuth heteroanion of [Rh@Bi10(RhCO)5]2- built of Bi10-bowl
 and Rh@(Rh-CO)5 square pyramidal
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02402D
_journal_year                    2023
_chemical_formula_moiety
'C67 H105 Bi20 K3 N8 O28 Rh12, C18 H35 K N2 O6, 3(C), 4(N), [+ solvents]'
_chemical_formula_sum            'C88 H140 Bi20 K4 N14 O34 Rh12'
_chemical_formula_weight         7509.05
_chemical_name_systematic        'C88 H140 Bi20 K4 N14 O34  Rh12'
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Hygroscopic,Efflorescent,Deliquescent,Oxygen-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2023-09-03
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-09-09 deposited with the CCDC.	2023-09-26 downloaded from the CCDC.
;
_cell_angle_alpha                97.547(3)
_cell_angle_beta                 101.929(3)
_cell_angle_gamma                100.646(3)
_cell_formula_units_Z            2
_cell_length_a                   16.6076(15)
_cell_length_b                   17.1151(16)
_cell_length_c                   29.840(3)
_cell_measurement_reflns_used    9851
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      25.36
_cell_measurement_theta_min      2.19
_cell_volume                     8028.0(13)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      160.02
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0986
_diffrn_reflns_av_unetI/netI     0.0783
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            98743
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        23.929
_diffrn_reflns_theta_max         23.929
_diffrn_reflns_theta_min         2.257
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    23.183
_exptl_absorpt_correction_T_max  0.7450
_exptl_absorpt_correction_T_min  0.2295
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1644 before and 0.0733 after correction.
The Ratio of minimum to maximum transmission is 0.3081.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    3.106
_exptl_crystal_description       block
_exptl_crystal_F_000             6628
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.024
_refine_diff_density_min         -1.563
_refine_diff_density_rms         0.287
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1549
_refine_ls_number_reflns         24727
_refine_ls_number_restraints     80
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0256P)²+130.3474P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1132
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18025
_reflns_number_total             24727
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02402d2.cif
_cod_data_source_block           mo_m-75_0m
_cod_database_code               7714109
_shelx_shelxl_version_number     2016/6
_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.
;
_shelx_estimated_absorpt_t_max   0.205
_shelx_estimated_absorpt_t_min   0.090
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 N6-N75
 3 with sigma of 0.02
3. Rigid bond restraints
 C030, C67
 with sigma for 1-2 distances of 0.1 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C56) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C17)
\\sim Ueq, Uanis(C52) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms
of 0.2
Uanis(C60) \\sim Ueq, Uanis(C17) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(C42) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C51) \\sim Ueq: with sigma of
0.1 and sigma for terminal atoms of 0.2
Uanis(C42) \\sim Ueq, Uanis(C17) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C02J) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N5) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C60) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N5) \\sim Ueq, Uanis(N6) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C74) \\sim Ueq, Uanis(C49) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C47(H47A,H47B), C52(H52A,H52B), C60(H60A,H60B), C65(H65A,
 H65B), C66(H66A,H66B), C69(H69A,H69B), C70(H70A,H70B), C72(H72A,H72B),
 C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C16(H16A,H16B),
  C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B), C22(H22A,H22B), C20(H20A,
 H20B), C23(H23A,H23B), C24(H24A,H24B), C76(H76A,H76B), C02U(H02O,H02P),
 C02R(H02A,H02B), C02W(H02Q,H02R), C02X(H02K,H02L), C02F(H02C,H02D), C02J(H02E,
 H02F), C02K(H02G,H02H), C02P(H02M,H02N), C02N(H02I,H02J), C21(H21A,H21B),
 C26(H26A,H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B), C030(H03A,
 H03B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B), C77(H77A,H77B),
 C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B), C59(H59A,H59B), C67(H67A,H67B),
  C64(H64A,H64B), C63(H63A,H63B), C68(H68A,H68B), C73(H73A,H73B), C79(H79A,
 H79B), C62(H62A,H62B), C58(H58A,H58B), C57(H57A,H57B), C56(H56A,H56B),
 C54(H54A,H54B), C78(H78A,H78B), C48(H48A,H48B), C45(H45A,H45B), C44(H44A,H44B),
  C43(H43A,H43B), C25(H25A,H25B), C41(H41A,H41B), C40(H40A,H40B), C39(H39A,
 H39B), C38(H38A,H38B), C55(H55A,H55B), C42(H42A,H42B)
5.b Aromatic/amide H refined with riding coordinates:
 C37(H37), C61(H61), C53(H53), C50(H50)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
C15 C 0.0441(14) 0.6189(15) 0.6549(8) 0.065(7) Uani 1 1 d . . . . .
H15A H -0.004330 0.612461 0.669606 0.078 Uiso 1 1 calc R U . . .
H15B H 0.055564 0.564894 0.646271 0.078 Uiso 1 1 calc R U . . .
N1 N 0.9688(10) 0.0017(10) 0.7077(6) 0.050(4) Uani 1 1 d . . . . .
C47 C 0.5870(11) 0.1244(11) 0.8691(8) 0.049(5) Uani 1 1 d . . . . .
H47A H 0.535406 0.101724 0.844011 0.059 Uiso 1 1 calc R U . . .
H47B H 0.570083 0.127318 0.899042 0.059 Uiso 1 1 calc R U . . .
C52 C 0.284(2) 0.6256(19) 0.5065(11) 0.099(10) Uani 1 1 d . U . . .
H52A H 0.263672 0.573490 0.515738 0.118 Uiso 1 1 calc R U . . .
H52B H 0.333159 0.620775 0.493082 0.118 Uiso 1 1 calc R U . . .
N3 N 0.3426(13) 0.7625(10) 0.6455(8) 0.081(7) Uani 1 1 d . . . . .
C60 C 0.2167(16) 0.6425(17) 0.4709(9) 0.078(7) Uani 1 1 d . U . . .
H60A H 0.233009 0.697417 0.463894 0.094 Uiso 1 1 calc R U . . .
H60B H 0.204117 0.602688 0.441781 0.094 Uiso 1 1 calc R U . . .
N4 N 0.2221(13) 0.1465(12) 0.8934(7) 0.068(6) Uani 1 1 d . . . . .
C65 C 0.6965(13) 0.3567(12) 0.9994(7) 0.046(5) Uani 1 1 d . . . . .
H65A H 0.691377 0.310311 1.016048 0.055 Uiso 1 1 calc R U . . .
H65B H 0.655821 0.389237 1.006661 0.055 Uiso 1 1 calc R U . . .
C66 C 0.5750(11) 0.2650(11) 0.8807(8) 0.046(5) Uani 1 1 d . . . . .
H66A H 0.513873 0.242049 0.868517 0.055 Uiso 1 1 calc R U . . .
H66B H 0.588830 0.315038 0.867941 0.055 Uiso 1 1 calc R U . . .
C69 C 0.7679(12) 0.0378(10) 0.9098(8) 0.053(6) Uani 1 1 d . . . . .
H69A H 0.794395 0.036516 0.882947 0.063 Uiso 1 1 calc R U . . .
H69B H 0.735582 -0.017302 0.909058 0.063 Uiso 1 1 calc R U . . .
C5 C 0.1832(12) 0.1595(11) 0.5715(8) 0.048(5) Uani 1 1 d . . . . .
C70 C 0.5928(12) 0.2867(13) 0.9327(8) 0.054(6) Uani 1 1 d . . . . .
H70A H 0.555013 0.321386 0.941431 0.065 Uiso 1 1 calc R U . . .
H70B H 0.582133 0.237067 0.946217 0.065 Uiso 1 1 calc R U . . .
K2 K 0.8046(2) 0.2628(2) 0.91969(13) 0.0324(9) Uani 1 1 d . . . . .
K1 K 0.1696(2) 0.7177(2) 0.58161(14) 0.0377(10) Uani 1 1 d . . . . .
K3 K 0.2490(2) -0.0260(2) 0.88984(14) 0.0388(10) Uani 1 1 d . . . . .
K4 K 0.7960(3) -0.0286(3) 0.64030(15) 0.0453(11) Uani 1 1 d . . . . .
C72 C 1.0190(13) 0.2347(13) 0.9836(9) 0.068(7) Uani 1 1 d . . . . .
H72A H 1.069062 0.248322 1.010126 0.082 Uiso 1 1 calc R U . . .
H72B H 1.037444 0.216625 0.955204 0.082 Uiso 1 1 calc R U . . .
O01A O 0.0934(8) 0.8459(7) 0.5496(4) 0.043(3) Uani 1 1 d . . . . .
O10 O 0.8687(8) 0.8753(7) 0.9469(5) 0.056(4) Uani 1 1 d . . . . .
O01C O 0.0238(8) 0.6549(8) 0.6130(5) 0.049(4) Uani 1 1 d . . . . .
O01D O 0.3029(9) 0.0680(9) 0.8277(5) 0.056(4) Uani 1 1 d . . . . .
O01E O 0.8936(9) -0.1498(8) 0.6442(5) 0.052(4) Uani 1 1 d . . . . .
O01F O 0.7685(9) 0.2600(8) 0.8226(4) 0.050(4) Uani 1 1 d . . . . .
O4 O 0.1332(11) 0.2709(10) 0.7821(6) 0.073(5) Uani 1 1 d . . . . .
O01H O 0.3715(9) -0.0614(11) 0.9616(5) 0.066(4) Uani 1 1 d . . . . .
O01N O 0.1468(10) 0.6362(9) 0.4909(5) 0.066(4) Uani 1 1 d . . . . .
O01O O 0.3085(8) -0.0982(8) 0.8157(5) 0.050(4) Uani 1 1 d . . . . .
O01P O 0.7231(9) -0.1824(8) 0.5903(5) 0.056(4) Uani 1 1 d . . . . .
O01Q O 0.2453(11) 0.8856(8) 0.6198(5) 0.075(5) Uani 1 1 d . . . . .
O01S O 0.9349(8) 0.3253(8) 0.8781(5) 0.054(4) Uani 1 1 d . . . . .
O3 O 0.1744(8) 0.5438(8) 0.5822(4) 0.047(3) Uani 1 1 d . . . . .
C11 C 0.9541(13) 0.1654(13) 0.9920(9) 0.070(8) Uani 1 1 d . . . . .
H11A H 0.980994 0.120119 0.999379 0.084 Uiso 1 1 calc R U . . .
H11B H 0.930919 0.184041 1.018470 0.084 Uiso 1 1 calc R U . . .
O1 O 0.4706(8) 0.0684(7) 0.7282(4) 0.045(3) Uani 1 1 d . . . . .
C12 C 0.7840(15) -0.2281(13) 0.5816(8) 0.069(7) Uani 1 1 d . . . . .
H12A H 0.815874 -0.203717 0.560427 0.083 Uiso 1 1 calc R U . . .
H12B H 0.755044 -0.284141 0.566467 0.083 Uiso 1 1 calc R U . . .
O013 O 0.8420(8) 0.3586(7) 1.0093(4) 0.046(3) Uani 1 1 d . . . . .
C13 C 0.2655(15) 0.7093(13) 0.7038(7) 0.066(7) Uani 1 1 d . . . . .
H13A H 0.269960 0.675033 0.728062 0.080 Uiso 1 1 calc R U . . .
H13B H 0.266399 0.764695 0.718797 0.080 Uiso 1 1 calc R U . . .
O6 O 0.8296(8) 0.4392(8) 0.9117(5) 0.049(4) Uani 1 1 d . . . . .
C14 C 0.1224(17) 0.9212(14) 0.5816(9) 0.076(8) Uani 1 1 d . . . . .
H14A H 0.102335 0.916077 0.610348 0.091 Uiso 1 1 calc R U . . .
H14B H 0.099443 0.964049 0.567541 0.091 Uiso 1 1 calc R U . . .
O015 O 0.7138(8) 0.0926(7) 0.9074(5) 0.048(4) Uani 1 1 d . . . . .
O016 O 0.8899(8) 0.1402(7) 0.9514(5) 0.050(4) Uani 1 1 d . . . . .
C16 C 0.6233(14) 0.2099(13) 0.8140(7) 0.060(6) Uani 1 1 d . . . . .
H16A H 0.567336 0.216118 0.797463 0.072 Uiso 1 1 calc R U . . .
H16B H 0.631460 0.157151 0.799795 0.072 Uiso 1 1 calc R U . . .
O017 O 0.6787(8) 0.3286(7) 0.9505(4) 0.040(3) Uani 1 1 d . . . . .
C17 C 0.9899(14) 0.3534(13) 1.0228(8) 0.060(6) Uani 1 1 d . U . . .
H17A H 1.047649 0.386959 1.035050 0.072 Uiso 1 1 calc R U . . .
H17B H 0.979874 0.315035 1.044197 0.072 Uiso 1 1 calc R U . . .
O8 O 0.5302(9) 0.9167(8) 0.7689(5) 0.055(4) Uani 1 1 d . . . . .
C18 C 0.9127(16) 0.2954(14) 0.8291(8) 0.066(7) Uani 1 1 d . . . . .
H18A H 0.910769 0.236672 0.823361 0.079 Uiso 1 1 calc R U . . .
H18B H 0.955887 0.322617 0.814487 0.079 Uiso 1 1 calc R U . . .
C19 C 0.8427(15) -0.2288(13) 0.6263(8) 0.062(6) Uani 1 1 d . . . . .
H19A H 0.810231 -0.246364 0.648885 0.075 Uiso 1 1 calc R U . . .
H19B H 0.878998 -0.267370 0.621299 0.075 Uiso 1 1 calc R U . . .
O9 O 0.9026(11) 0.6754(10) 0.7241(6) 0.082(5) Uani 1 1 d . . . . .
C22 C 0.7577(13) 0.0868(16) 0.7427(8) 0.074(8) Uani 1 1 d . . . . .
H22A H 0.763017 0.101698 0.776541 0.089 Uiso 1 1 calc R U . . .
H22B H 0.767626 0.136959 0.729552 0.089 Uiso 1 1 calc R U . . .
N01I N -0.0051(10) 0.6787(10) 0.5149(5) 0.045(4) Uani 1 1 d . . . . .
O1R O 0.0827(9) 0.0015(9) 0.8778(5) 0.060(4) Uani 1 1 d . . . . .
O1T O 0.1892(9) 0.6785(9) 0.6697(5) 0.062(4) Uani 1 1 d . . . . .
O1U O 0.9329(10) 0.0822(9) 0.6260(6) 0.065(4) Uani 1 1 d . . . . .
O1V O 0.3273(10) 0.0913(11) 0.9703(5) 0.077(5) Uani 1 1 d . . . . .
N01X N 0.9843(9) 0.3091(10) 0.9780(6) 0.054(5) Uani 1 1 d . . . . .
O1Y O 0.6620(9) 0.0229(8) 0.6709(5) 0.052(4) Uani 1 1 d . . . . .
O2A O 0.7768(11) 0.0451(11) 0.5585(6) 0.078(5) Uani 1 1 d . . . . .
O20 O 0.8180(8) 0.0387(8) 0.7341(5) 0.052(4) Uani 1 1 d . . . . .
C20 C 0.3596(14) -0.0380(14) 0.7975(7) 0.056(6) Uani 1 1 d . . . . .
H20A H 0.374430 -0.064321 0.769696 0.067 Uiso 1 1 calc R U . . .
H20B H 0.412591 -0.013275 0.821186 0.067 Uiso 1 1 calc R U . . .
O23 O 0.1138(8) -0.1538(9) 0.8881(7) 0.073(5) Uani 1 1 d . . . . .
C23 C 0.1176(16) 0.6707(16) 0.6873(7) 0.066(7) Uani 1 1 d . . . . .
H23A H 0.105859 0.724879 0.695081 0.079 Uiso 1 1 calc R U . . .
H23B H 0.128333 0.648330 0.716351 0.079 Uiso 1 1 calc R U . . .
N23 N 0.6238(13) -0.0563(13) 0.5738(7) 0.078(6) Uani 1 1 d . . . . .
N024 N 0.2774(11) -0.1946(9) 0.8869(7) 0.054(5) Uani 1 1 d . . . . .
C24 C 1.0102(13) -0.0665(13) 0.7006(8) 0.057(6) Uani 1 1 d . . . . .
H24A H 1.052900 -0.065770 0.729311 0.068 Uiso 1 1 calc R U . . .
H24B H 1.039674 -0.060311 0.675194 0.068 Uiso 1 1 calc R U . . .
N025 N 0.6216(10) 0.2069(10) 0.8633(5) 0.045(4) Uani 1 1 d . . . . .
C76 C 0.6895(14) 0.2754(14) 0.8051(8) 0.061(6) Uani 1 1 d . . . . .
H76A H 0.680715 0.275832 0.771322 0.073 Uiso 1 1 calc R U . . .
H76B H 0.685584 0.328858 0.820773 0.073 Uiso 1 1 calc R U . . .
C1 C 0.4546(11) 0.1232(11) 0.7107(6) 0.038(5) Uani 1 1 d . . . . .
C02U C 1.0122(14) 0.0740(14) 0.6477(9) 0.069(7) Uani 1 1 d . . . . .
H02O H 1.054895 0.119119 0.643258 0.083 Uiso 1 1 calc R U . . .
H02P H 1.022736 0.023064 0.632638 0.083 Uiso 1 1 calc R U . . .
C02R C 0.7816(15) 0.4057(13) 1.0143(7) 0.059(6) Uani 1 1 d . . . . .
H02A H 0.787518 0.449146 0.995601 0.071 Uiso 1 1 calc R U . . .
H02B H 0.792268 0.431372 1.047359 0.071 Uiso 1 1 calc R U . . .
C02W C 0.6754(13) 0.0379(13) 0.7204(7) 0.056(6) Uani 1 1 d . . . . .
H02Q H 0.668870 -0.014241 0.731682 0.067 Uiso 1 1 calc R U . . .
H02R H 0.632042 0.065569 0.729063 0.067 Uiso 1 1 calc R U . . .
C02X C 0.2050(13) -0.2455(15) 0.8959(11) 0.082(9) Uani 1 1 d . . . . .
H02K H 0.207500 -0.235357 0.929645 0.099 Uiso 1 1 calc R U . . .
H02L H 0.206596 -0.302835 0.886831 0.099 Uiso 1 1 calc R U . . .
C02F C -0.0007(13) 0.6196(11) 0.4758(7) 0.050(6) Uani 1 1 d . . . . .
H02C H -0.051410 0.614021 0.450418 0.061 Uiso 1 1 calc R U . . .
H02D H -0.002891 0.566581 0.485931 0.061 Uiso 1 1 calc R U . . .
C02J C -0.0230(13) 0.7529(12) 0.4992(7) 0.049(5) Uani 1 1 d . U . . .
H02E H -0.084178 0.744055 0.485341 0.058 Uiso 1 1 calc R U . . .
H02F H 0.007120 0.764060 0.474609 0.058 Uiso 1 1 calc R U . . .
C02K C 0.8349(12) 0.0656(12) 0.9547(9) 0.058(6) Uani 1 1 d . . . . .
H02G H 0.808171 0.074762 0.981128 0.070 Uiso 1 1 calc R U . . .
H02H H 0.867974 0.023759 0.960077 0.070 Uiso 1 1 calc R U . . .
C02P C 0.3149(17) 0.0252(14) 0.7849(9) 0.074(8) Uani 1 1 d . . . . .
H02M H 0.348325 0.062842 0.769698 0.089 Uiso 1 1 calc R U . . .
H02N H 0.259619 0.000826 0.763082 0.089 Uiso 1 1 calc R U . . .
C3 C 0.2059(12) 0.5001(12) 0.6037(7) 0.045(5) Uani 1 1 d . . . . .
C02N C 0.6450(13) 0.0669(12) 0.8682(8) 0.057(6) Uani 1 1 d . . . . .
H02I H 0.614316 0.011758 0.868821 0.068 Uiso 1 1 calc R U . . .
H02J H 0.665681 0.065394 0.839369 0.068 Uiso 1 1 calc R U . . .
C9 C 0.8473(13) 0.6808(12) 0.7417(7) 0.047(5) Uani 1 1 d . . . . .
C4 C 0.1757(15) 0.2943(13) 0.7583(8) 0.057(6) Uani 1 1 d . . . . .
C8 C 0.5628(10) 0.8627(10) 0.7759(6) 0.028(4) Uani 1 1 d . . . . .
C21 C 0.2618(19) 0.1333(16) 0.8190(9) 0.084(8) Uani 1 1 d . . . . .
H21A H 0.201964 0.111653 0.802599 0.100 Uiso 1 1 calc R U . . .
H21B H 0.289555 0.165917 0.799098 0.100 Uiso 1 1 calc R U . . .
C6 C 0.7867(10) 0.4816(10) 0.8961(6) 0.028(4) Uani 1 1 d . . . . .
C26 C 0.4039(15) 0.0768(17) 0.9964(9) 0.080(8) Uani 1 1 d . . . . .
H26A H 0.422677 0.114524 1.026507 0.096 Uiso 1 1 calc R U . . .
H26B H 0.448481 0.086329 0.979018 0.096 Uiso 1 1 calc R U . . .
C7 C 0.5132(11) 0.6647(11) 0.9353(7) 0.035(4) Uani 1 1 d . . . . .
C27 C 0.8472(18) 0.1122(16) 0.5615(9) 0.086(9) Uani 1 1 d . . . . .
H27A H 0.846389 0.126076 0.530201 0.103 Uiso 1 1 calc R U . . .
H27B H 0.842061 0.160318 0.582161 0.103 Uiso 1 1 calc R U . . .
C28 C -0.0678(13) 0.6426(15) 0.5392(8) 0.066(7) Uani 1 1 d . . . . .
H28A H -0.090811 0.686391 0.553563 0.079 Uiso 1 1 calc R U . . .
H28B H -0.115085 0.605638 0.515689 0.079 Uiso 1 1 calc R U . . .
O7 O 0.4753(9) 0.6775(10) 0.9626(5) 0.068(5) Uani 1 1 d . . . . .
C29 C 0.1208(13) -0.2294(15) 0.8685(11) 0.085(9) Uani 1 1 d . . . . .
H29A H 0.121213 -0.231017 0.835262 0.102 Uiso 1 1 calc R U . . .
H29B H 0.072474 -0.271078 0.870692 0.102 Uiso 1 1 calc R U . . .
C030 C 0.1315(16) 0.1404(15) 0.8780(9) 0.076(8) Uani 1 1 d . U . . .
H03A H 0.116192 0.128116 0.843524 0.091 Uiso 1 1 calc R U . . .
H03B H 0.119815 0.193991 0.887364 0.091 Uiso 1 1 calc R U . . .
Bi14 Bi 0.61157(4) 0.51089(4) 0.93092(3) 0.03656(17) Uani 1 1 d . . . . .
C30 C 0.5817(14) -0.0245(16) 0.6492(7) 0.067(7) Uani 1 1 d . . . . .
H30A H 0.538216 -0.003545 0.662415 0.080 Uiso 1 1 calc R U . . .
H30B H 0.578550 -0.081083 0.653884 0.080 Uiso 1 1 calc R U . . .
C31 C 0.5672(14) -0.0200(15) 0.5971(8) 0.067(7) Uani 1 1 d . . . . .
H31A H 0.508335 -0.047506 0.581397 0.080 Uiso 1 1 calc R U . . .
H31B H 0.574402 0.037379 0.593489 0.080 Uiso 1 1 calc R U . . .
Bi15 Bi 0.54473(4) 0.49084(4) 0.82898(2) 0.03284(16) Uani 1 1 d . . . . .
C32 C 0.3532(14) -0.1985(15) 0.9218(9) 0.066(7) Uani 1 1 d . . . . .
H32A H 0.404386 -0.179488 0.910753 0.080 Uiso 1 1 calc R U . . .
H32B H 0.351255 -0.255110 0.926264 0.080 Uiso 1 1 calc R U . . .
Bi13 Bi 0.73714(4) 0.66863(4) 0.94799(2) 0.03448(17) Uani 1 1 d . . . . .
C77 C 0.9278(13) 0.4068(12) 1.0220(8) 0.064(7) Uani 1 1 d . . . . .
H77A H 0.938320 0.440561 1.053116 0.076 Uiso 1 1 calc R U . . .
H77B H 0.935233 0.443233 0.999303 0.076 Uiso 1 1 calc R U . . .
Bi11 Bi 0.71786(4) 0.52227(4) 0.77770(2) 0.03241(16) Uani 1 1 d . . . . .
C10 C 0.8210(11) 0.8260(11) 0.9179(8) 0.046(5) Uani 1 1 d . . . . .
Bi16 Bi 0.48066(4) 0.66913(4) 0.80760(2) 0.02932(15) Uani 1 1 d . . . . .
C34 C 1.0326(12) 0.3581(13) 0.9513(10) 0.065(7) Uani 1 1 d . . . . .
H34A H 1.018565 0.412081 0.953900 0.078 Uiso 1 1 calc R U . . .
H34B H 1.093393 0.365886 0.965754 0.078 Uiso 1 1 calc R U . . .
C35 C 0.2491(16) 0.1891(16) 0.9407(9) 0.081(8) Uani 1 1 d . . . . .
H35A H 0.205915 0.171266 0.957822 0.097 Uiso 1 1 calc R U . . .
H35B H 0.253986 0.247660 0.940795 0.097 Uiso 1 1 calc R U . . .
Bi12 Bi 0.85184(4) 0.65312(4) 0.85238(2) 0.03190(16) Uani 1 1 d . . . . .
C37 C 1.0178(16) 0.3242(18) 0.9019(10) 0.087(9) Uani 1 1 d . . . . .
H37 H 1.058013 0.304350 0.887808 0.105 Uiso 1 1 calc R U . . .
Bi20 Bi 0.58533(5) 0.63210(4) 0.72011(2) 0.03687(17) Uani 1 1 d . . . . .
C36 C 0.8989(14) 0.0700(17) 0.7620(9) 0.077(8) Uani 1 1 d . . . . .
H36A H 0.895876 0.079166 0.795005 0.093 Uiso 1 1 calc R U . . .
H36B H 0.921472 0.122824 0.754155 0.093 Uiso 1 1 calc R U . . .
Bi17 Bi 0.60790(4) 0.80515(4) 0.88119(2) 0.02848(15) Uani 1 1 d . . . . .
C59 C 0.3571(14) -0.1462(18) 0.9676(10) 0.088(10) Uani 1 1 d . . . . .
H59A H 0.303435 -0.161320 0.977171 0.106 Uiso 1 1 calc R U . . .
H59B H 0.403437 -0.154261 0.992154 0.106 Uiso 1 1 calc R U . . .
Rh1 Rh 0.37808(8) 0.35705(8) 0.68013(5) 0.0290(3) Uani 1 1 d . . . . .
C67 C 0.0746(14) 0.0792(14) 0.8952(10) 0.072(7) Uani 1 1 d . U . . .
H67A H 0.089754 0.088837 0.929691 0.087 Uiso 1 1 calc R U . . .
H67B H 0.015416 0.084124 0.884826 0.087 Uiso 1 1 calc R U . . .
C64 C 0.9247(18) 0.0893(17) 0.5795(9) 0.086(9) Uani 1 1 d . . . . .
H64A H 0.925915 0.037080 0.561177 0.103 Uiso 1 1 calc R U . . .
H64B H 0.972800 0.130427 0.576407 0.103 Uiso 1 1 calc R U . . .
C63 C 0.4063(17) 0.746(2) 0.6184(13) 0.114(13) Uani 1 1 d . U . . .
H63A H 0.423407 0.793654 0.604032 0.137 Uiso 1 1 calc R U . . .
H63B H 0.457137 0.738529 0.639907 0.137 Uiso 1 1 calc R U . . .
C68 C 0.3730(17) 0.674(2) 0.5817(12) 0.092(10) Uani 1 1 d . . . . .
H68A H 0.419266 0.660207 0.568248 0.110 Uiso 1 1 calc R U . . .
H68B H 0.349551 0.627895 0.595365 0.110 Uiso 1 1 calc R U . . .
C73 C -0.0372(12) 0.5975(14) 0.5755(8) 0.054(6) Uani 1 1 d . . . . .
H73A H -0.084742 0.570811 0.587301 0.065 Uiso 1 1 calc R U . . .
H73B H -0.010291 0.555504 0.562691 0.065 Uiso 1 1 calc R U . . .
O2 O 0.5213(10) 0.3336(13) 0.5228(6) 0.096(7) Uani 1 1 d . . . . .
C79 C 0.2920(15) -0.2226(12) 0.8414(10) 0.070(8) Uani 1 1 d . . . . .
H79A H 0.237400 -0.236891 0.818059 0.084 Uiso 1 1 calc R U . . .
H79B H 0.314430 -0.272185 0.842741 0.084 Uiso 1 1 calc R U . . .
O5 O 0.1331(9) 0.1099(7) 0.5452(5) 0.057(4) Uani 1 1 d . . . . .
C62 C 0.8312(16) 0.3102(16) 0.8087(9) 0.078(8) Uani 1 1 d . . . . .
H62A H 0.830203 0.367418 0.818842 0.093 Uiso 1 1 calc R U . . .
H62B H 0.820912 0.299723 0.774362 0.093 Uiso 1 1 calc R U . . .
C61 C 0.6956(16) 0.055(2) 0.5418(9) 0.095(11) Uani 1 1 d . . . . .
H61 H 0.683291 0.106130 0.537001 0.114 Uiso 1 1 calc R U . . .
Rh5 Rh 0.25526(9) 0.42994(8) 0.63466(5) 0.0322(3) Uani 1 1 d . . . . .
O60 O 0.3102(9) 0.6883(11) 0.5468(7) 0.082(6) Uani 1 1 d . . . . .
Rh6 Rh 0.23848(9) 0.32146(8) 0.71902(5) 0.0323(3) Uani 1 1 d . . . . .
C58 C 0.0322(13) -0.1402(15) 0.8678(11) 0.092(10) Uani 1 1 d . . . . .
H58A H -0.013327 -0.182820 0.872019 0.110 Uiso 1 1 calc R U . . .
H58B H 0.025561 -0.139296 0.834132 0.110 Uiso 1 1 calc R U . . .
Rh2 Rh 0.26137(9) 0.23927(8) 0.61399(5) 0.0373(4) Uani 1 1 d . . . . .
C57 C 0.0747(15) 0.6382(12) 0.4567(7) 0.059(6) Uani 1 1 d . . . . .
H57A H 0.069108 0.598062 0.428520 0.070 Uiso 1 1 calc R U . . .
H57B H 0.080095 0.692410 0.447848 0.070 Uiso 1 1 calc R U . . .
Rh4 Rh 0.44311(9) 0.31528(9) 0.60300(5) 0.0380(4) Uani 1 1 d . . . . .
C56 C 0.5928(15) -0.1467(16) 0.5634(10) 0.094(10) Uani 1 1 d . U . . .
H56A H 0.575693 -0.164516 0.590988 0.113 Uiso 1 1 calc R U . . .
H56B H 0.542067 -0.160640 0.537330 0.113 Uiso 1 1 calc R U . . .
Rh3 Rh 0.42705(9) 0.20912(8) 0.68583(5) 0.0336(3) Uani 1 1 d . . . . .
Rh11 Rh 0.61341(8) 0.77916(8) 0.78919(5) 0.0281(3) Uani 1 1 d . . . . .
C54 C 0.3371(16) 0.1744(16) 0.9668(9) 0.079(8) Uani 1 1 d . . . . .
H54A H 0.380281 0.189633 0.949221 0.095 Uiso 1 1 calc R U . . .
H54B H 0.355748 0.207993 0.998237 0.095 Uiso 1 1 calc R U . . .
Rh12 Rh 0.76343(9) 0.68632(8) 0.77066(5) 0.0325(3) Uani 1 1 d . . . . .
C53 C 0.2676(17) 0.1827(16) 0.8631(9) 0.076(7) Uani 1 1 d . . . . .
H53 H 0.299927 0.236576 0.871420 0.091 Uiso 1 1 calc R U . . .
Rh8 Rh 0.74740(8) 0.74900(8) 0.87456(5) 0.0302(3) Uani 1 1 d . . . . .
Rh7 Rh 0.63085(8) 0.62731(7) 0.81090(4) 0.0245(3) Uani 1 1 d . . . . .
C2 C 0.4904(13) 0.3262(12) 0.5528(7) 0.051(5) Uani 1 1 d . . . . .
Rh10 Rh 0.57426(8) 0.64598(8) 0.89273(5) 0.0269(3) Uani 1 1 d . . . . .
C50 C 0.6315(17) -0.018(2) 0.5324(8) 0.095(10) Uani 1 1 d . . . . .
H50 H 0.597006 -0.040828 0.502197 0.114 Uiso 1 1 calc R U . . .
Rh9 Rh 0.72331(8) 0.54899(8) 0.87313(5) 0.0282(3) Uani 1 1 d . . . . .
C78 C 0.3902(15) -0.0065(18) 1.0045(8) 0.075(8) Uani 1 1 d . . . . .
H78A H 0.441404 -0.014740 1.025463 0.090 Uiso 1 1 calc R U . . .
H78B H 0.342849 -0.017080 1.019924 0.090 Uiso 1 1 calc R U . . .
Bi10 Bi 0.34731(5) 0.48338(4) 0.73189(2) 0.03915(18) Uani 1 1 d . . . . .
C48 C 0.0021(12) 0.8240(14) 0.5368(8) 0.067(7) Uani 1 1 d . . . . .
H48A H -0.020922 0.869409 0.525912 0.080 Uiso 1 1 calc R U . . .
H48B H -0.019916 0.811078 0.563953 0.080 Uiso 1 1 calc R U . . .
Bi9 Bi 0.16074(5) 0.45183(5) 0.70216(3) 0.04329(19) Uani 1 1 d . . . . .
Bi8 Bi 0.12673(5) 0.29849(4) 0.63277(2) 0.03910(18) Uani 1 1 d . . . . .
Bi6 Bi 0.42600(5) 0.47373(4) 0.63167(3) 0.03984(18) Uani 1 1 d . . . . .
C45 C 0.0306(13) -0.0575(14) 0.8942(10) 0.073(8) Uani 1 1 d . . . . .
H45A H -0.027761 -0.048925 0.888494 0.088 Uiso 1 1 calc R U . . .
H45B H 0.051875 -0.054353 0.928116 0.088 Uiso 1 1 calc R U . . .
Bi7 Bi 0.29149(4) 0.34716(4) 0.55780(2) 0.03698(17) Uani 1 1 d . . . . .
C44 C 0.6553(16) -0.1923(17) 0.5512(9) 0.092(10) Uani 1 1 d . U . . .
H44A H 0.628110 -0.250264 0.541011 0.110 Uiso 1 1 calc R U . . .
H44B H 0.676429 -0.172272 0.525236 0.110 Uiso 1 1 calc R U . . .
Bi1 Bi 0.39880(4) 0.30426(4) 0.76265(2) 0.03398(17) Uani 1 1 d . . . . .
C43 C 0.9582(15) 0.0147(16) 0.7560(8) 0.073(7) Uani 1 1 d . . . . .
H43A H 1.013838 0.038392 0.777541 0.088 Uiso 1 1 calc R U . . .
H43B H 0.936021 -0.037979 0.764121 0.088 Uiso 1 1 calc R U . . .
Bi2 Bi 0.26123(4) 0.16925(4) 0.68999(2) 0.03350(17) Uani 1 1 d . . . . .
C25 C 0.9466(14) -0.1471(14) 0.6883(8) 0.067(7) Uani 1 1 d . . . . .
H25A H 0.976187 -0.192239 0.687301 0.081 Uiso 1 1 calc R U . . .
H25B H 0.912874 -0.151757 0.711957 0.081 Uiso 1 1 calc R U . . .
Bi5 Bi 0.54498(4) 0.36544(4) 0.69886(3) 0.04218(19) Uani 1 1 d . . . . .
C41 C 1.0230(16) 0.0734(16) 0.6992(9) 0.080(8) Uani 1 1 d . . . . .
H41A H 1.082632 0.074348 0.713412 0.095 Uiso 1 1 calc R U . . .
H41B H 1.008815 0.122587 0.714201 0.095 Uiso 1 1 calc R U . . .
Bi3 Bi 0.37384(5) 0.15138(5) 0.59082(3) 0.0459(2) Uani 1 1 d . . . . .
C40 C 0.2146(17) 0.9429(13) 0.5931(8) 0.069(7) Uani 1 1 d . . . . .
H40A H 0.235314 0.941214 0.564231 0.083 Uiso 1 1 calc R U . . .
H40B H 0.234882 0.998257 0.611403 0.083 Uiso 1 1 calc R U . . .
Bi4 Bi 0.55709(5) 0.21940(5) 0.63692(3) 0.0550(2) Uani 1 1 d . . . . .
C39 C 0.3535(14) -0.1600(14) 0.8255(9) 0.069(7) Uani 1 1 d . . . . .
H39A H 0.405533 -0.138061 0.850400 0.083 Uiso 1 1 calc R U . . .
H39B H 0.368875 -0.184201 0.797364 0.083 Uiso 1 1 calc R U . . .
Bi18 Bi 0.78573(4) 0.84693(4) 0.81260(3) 0.03790(17) Uani 1 1 d . . . . .
C38 C 0.3377(15) 0.7106(16) 0.6817(9) 0.085(9) Uani 1 1 d . . . . .
H38A H 0.335750 0.654540 0.667324 0.102 Uiso 1 1 calc R U . . .
H38B H 0.390326 0.728681 0.706454 0.102 Uiso 1 1 calc R U . . .
Bi19 Bi 0.69083(5) 0.78822(5) 0.71327(3) 0.04249(19) Uani 1 1 d . . . . .
N33 N 0.702(3) 0.490(3) 1.1375(15) 0.21(2) Uani 1 1 d . . . . .
N5 N 0.849(5) 0.426(5) 0.682(3) 0.42(5) Uani 1 1 d . U . . .
C49 C 0.797(4) 0.345(4) 0.669(2) 0.21(2) Uani 1 1 d . U . . .
N21 N 0.917(3) 0.286(3) 0.6936(19) 0.26(3) Uani 1 1 d . . . . .
C71 C 0.816(4) 0.271(4) 0.661(2) 0.25(3) Uani 1 1 d . . . . .
C51 C 0.682(6) 0.562(4) 1.076(3) 0.32(5) Uani 1 1 d . U . . .
N2 N 0.628(3) 0.606(3) 1.073(2) 0.29(4) Uani 1 1 d . . . . .
C46 C 0.677(4) 0.572(5) 1.1282(15) 0.25(4) Uani 1 1 d . . . . .
C33 C 0.378(3) 0.425(5) 0.421(2) 0.25(4) Uani 1 1 d . . . . .
N75 N 0.383(5) 0.460(3) 0.458(2) 0.41(6) Uani 1 1 d D . . . .
C74 C 0.322(4) 0.472(3) 0.389(2) 0.19(2) Uani 1 1 d . U . . .
N6 N 0.238(4) 0.450(4) 0.378(2) 0.35(4) Uani 1 1 d D U . . .
C55 C 0.3360(18) 0.9065(14) 0.6353(10) 0.097(10) Uani 1 1 d . . . . .
H55A H 0.354953 0.962595 0.652682 0.117 Uiso 1 1 calc R U . . .
H55B H 0.362011 0.902119 0.608353 0.117 Uiso 1 1 calc R U . . .
C42 C 0.3614(18) 0.8470(17) 0.6670(10) 0.097(9) Uani 1 1 d . U . . .
H42A H 0.422848 0.863970 0.680638 0.116 Uiso 1 1 calc R U . . .
H42B H 0.332876 0.851754 0.692955 0.116 Uiso 1 1 calc R U . . .
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'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
H15A C15 H15B 108.2 . . ?
O01C C15 H15A 109.8 . . ?
O01C C15 H15B 109.8 . . ?
C23 C15 H15A 109.8 . . ?
C23 C15 H15B 109.8 . . ?
C23 C15 O01C 109.4(18) . . ?
C24 N1 K4 111.6(12) . . ?
C24 N1 C43 109.8(17) . . ?
C43 N1 K4 108.9(12) . . ?
C41 N1 K4 108.7(13) . . ?
C41 N1 C24 107.5(17) . . ?
C41 N1 C43 110.2(19) . . ?
H47A C47 H47B 107.4 . . ?
N025 C47 H47A 108.3 . . ?
N025 C47 H47B 108.3 . . ?
N025 C47 C02N 115.8(17) . . ?
C02N C47 H47A 108.3 . . ?
C02N C47 H47B 108.3 . . ?
H52A C52 H52B 108.0 . . ?
C60 C52 H52A 109.3 . . ?
C60 C52 H52B 109.3 . . ?
O60 C52 H52A 109.3 . . ?
O60 C52 H52B 109.3 . . ?
O60 C52 C60 112(2) . . ?
C63 N3 K1 109.3(16) . . ?
C38 N3 K1 104.6(12) . . ?
C38 N3 C63 112(2) . . ?
C42 N3 K1 109.9(15) . . ?
C42 N3 C63 111(2) . . ?
C42 N3 C38 110(2) . . ?
C52 C60 H60A 110.8 . . ?
C52 C60 H60B 110.8 . . ?
H60A C60 H60B 108.9 . . ?
O01N C60 C52 105(2) . . ?
O01N C60 H60A 110.8 . . ?
O01N C60 H60B 110.8 . . ?
C030 N4 K3 106.9(14) . . ?
C35 N4 K3 109.7(16) . . ?
C35 N4 C030 107.9(18) . . ?
C53 N4 K3 107.0(14) . . ?
C53 N4 C030 112(2) . . ?
C53 N4 C35 113(2) . . ?
H65A C65 H65B 108.4 . . ?
O017 C65 H65A 110.0 . . ?
O017 C65 H65B 110.0 . . ?
O017 C65 C02R 108.5(16) . . ?
C02R C65 H65A 110.0 . . ?
C02R C65 H65B 110.0 . . ?
H66A C66 H66B 107.5 . . ?
C70 C66 H66A 108.5 . . ?
C70 C66 H66B 108.5 . . ?
N025 C66 H66A 108.5 . . ?
N025 C66 H66B 108.5 . . ?
N025 C66 C70 115.0(15) . . ?
H69A C69 H69B 108.4 . . ?
O015 C69 H69A 110.1 . . ?
O015 C69 H69B 110.1 . . ?
O015 C69 C02K 107.9(16) . . ?
C02K C69 H69A 110.1 . . ?
C02K C69 H69B 110.1 . . ?
O5 C5 Rh2 179(2) . . ?
C66 C70 H70A 109.8 . . ?
C66 C70 H70B 109.8 . . ?
H70A C70 H70B 108.2 . . ?
O017 C70 C66 109.5(16) . . ?
O017 C70 H70A 109.8 . . ?
O017 C70 H70B 109.8 . . ?
O01F K2 O013 146.5(4) . . ?
O01F K2 O6 76.5(4) . . ?
O01F K2 O015 92.0(4) . . ?
O01F K2 O016 115.6(4) . . ?
O01F K2 N01X 121.2(5) . . ?
O01F K2 N025 60.9(4) . . ?
O01S K2 O01F 60.6(4) . . ?
O01S K2 O013 105.6(4) . . ?
O01S K2 O6 63.0(4) . . ?
O01S K2 O015 127.7(4) . . ?
O01S K2 O016 92.3(4) . . ?
O01S K2 N01X 61.3(5) . . ?
O01S K2 N025 121.2(5) . . ?
O013 K2 O6 70.3(4) . . ?
O013 K2 O015 117.9(4) . . ?
O013 K2 O016 94.1(4) . . ?
O013 K2 N01X 60.0(4) . . ?
O013 K2 N025 120.0(4) . . ?
O6 K2 N01X 84.8(4) . . ?
O6 K2 N025 98.4(4) . . ?
O015 K2 O6 157.6(4) . . ?
O015 K2 N01X 117.5(4) . . ?
O015 K2 N025 59.2(4) . . ?
O016 K2 O6 143.9(4) . . ?
O016 K2 O015 58.5(3) . . ?
O016 K2 N01X 59.5(4) . . ?
O016 K2 N025 117.4(4) . . ?
O017 K2 O01F 105.1(4) . . ?
O017 K2 O01S 132.9(4) . . ?
O017 K2 O013 60.2(4) . . ?
O017 K2 O6 70.2(4) . . ?
O017 K2 O015 95.1(4) . . ?
O017 K2 O016 130.8(4) . . ?
O017 K2 N01X 119.8(4) . . ?
O017 K2 N025 60.7(4) . . ?
N01X K2 N025 176.6(5) . . ?
N3 K1 N01I 177.6(5) . . ?
O01A K1 N3 118.5(4) . . ?
O01A K1 O3 153.0(4) . . ?
O01A K1 N01I 59.3(4) . . ?
O01C K1 N3 121.8(6) . . ?
O01C K1 O01A 90.6(4) . . ?
O01C K1 O01Q 114.3(5) . . ?
O01C K1 O3 76.0(4) . . ?
O01C K1 N01I 59.9(4) . . ?
O01N K1 N3 119.7(6) . . ?
O01N K1 O01A 92.4(4) . . ?
O01N K1 O01C 106.8(5) . . ?
O01N K1 O01Q 128.4(5) . . ?
O01N K1 O3 69.9(4) . . ?
O01N K1 N01I 60.3(5) . . ?
O01N K1 O60 59.4(5) . . ?
O01Q K1 N3 60.5(5) . . ?
O01Q K1 O01A 58.6(4) . . ?
O01Q K1 O3 148.4(4) . . ?
O01Q K1 N01I 117.5(5) . . ?
O3 K1 N3 88.4(4) . . ?
O3 K1 N01I 93.7(4) . . ?
O1T K1 N3 61.5(6) . . ?
O1T K1 O01A 126.5(4) . . ?
O1T K1 O01C 60.7(4) . . ?
O1T K1 O01N 136.8(5) . . ?
O1T K1 O01Q 91.4(5) . . ?
O1T K1 O3 67.0(4) . . ?
O1T K1 N01I 120.3(5) . . ?
O1T K1 O60 108.0(5) . . ?
O60 K1 N3 60.5(7) . . ?
O60 K1 O01A 116.7(4) . . ?
O60 K1 O01C 148.4(4) . . ?
O60 K1 O01Q 94.4(5) . . ?
O60 K1 O3 72.5(4) . . ?
O60 K1 N01I 119.2(5) . . ?
O01D K3 N4 59.7(5) . . ?
O01D K3 O01H 119.1(4) . . ?
O01D K3 O01O 60.7(4) . . ?
O01D K3 O1R 98.1(4) . . ?
O01D K3 O1V 95.4(5) . . ?
O01D K3 O23 137.4(5) . . ?
O01D K3 N024 120.2(5) . . ?
O01H K3 N4 119.6(5) . . ?
O01H K3 O1R 137.3(5) . . ?
O01H K3 N024 59.8(5) . . ?
O01O K3 N4 119.9(5) . . ?
O01O K3 O01H 95.3(4) . . ?
O01O K3 O1R 122.6(4) . . ?
O01O K3 N024 60.1(4) . . ?
O1R K3 N4 60.4(5) . . ?
O1R K3 N024 120.1(5) . . ?
O1V K3 N4 60.2(5) . . ?
O1V K3 O01H 60.1(5) . . ?
O1V K3 O01O 133.4(5) . . ?
O1V K3 O1R 98.5(5) . . ?
O1V K3 N024 119.3(5) . . ?
O23 K3 N4 120.1(5) . . ?
O23 K3 O01H 98.3(5) . . ?
O23 K3 O01O 98.4(5) . . ?
O23 K3 O1R 60.3(4) . . ?
O23 K3 O1V 122.3(6) . . ?
O23 K3 N024 60.4(4) . . ?
N024 K3 N4 179.4(6) . . ?
N1 K4 Bi19 91.3(3) . 1_545 ?
O01E K4 N1 58.6(4) . . ?
O01E K4 O2A 117.3(4) . . ?
O01E K4 N23 122.2(5) . . ?
O01E K4 Bi19 70.5(3) . 1_545 ?
O01P K4 N1 119.3(5) . . ?
O01P K4 O01E 61.2(4) . . ?
O01P K4 O1U 127.5(5) . . ?
O01P K4 O1Y 103.7(4) . . ?
O01P K4 O2A 93.4(5) . . ?
O01P K4 O20 132.1(4) . . ?
O01P K4 N23 61.5(5) . . ?
O01P K4 Bi19 61.7(3) . 1_545 ?
O1U K4 N1 60.4(5) . . ?
O1U K4 O01E 90.4(4) . . ?
O1U K4 O2A 59.8(5) . . ?
O1U K4 N23 119.4(6) . . ?
O1U K4 Bi19 151.6(4) . 1_545 ?
O1Y K4 N1 119.7(5) . . ?
O1Y K4 O01E 143.5(4) . . ?
O1Y K4 O1U 121.7(4) . . ?
O1Y K4 O2A 95.5(4) . . ?
O1Y K4 N23 59.7(5) . . ?
O1Y K4 Bi19 73.1(3) . 1_545 ?
O2A K4 N1 120.0(5) . . ?
O2A K4 N23 59.9(6) . . ?
O2A K4 Bi19 147.7(4) . 1_545 ?
O20 K4 N1 59.7(4) . . ?
O20 K4 O01E 103.5(4) . . ?
O20 K4 O1U 95.1(4) . . ?
O20 K4 O1Y 60.2(4) . . ?
O20 K4 O2A 130.5(5) . . ?
O20 K4 N23 119.7(5) . . ?
O20 K4 Bi19 70.4(3) . 1_545 ?
N23 K4 N1 179.2(5) . . ?
N23 K4 Bi19 88.9(5) . 1_545 ?
H72A C72 H72B 107.9 . . ?
C11 C72 H72A 109.1 . . ?
C11 C72 H72B 109.1 . . ?
N01X C72 H72A 109.1 . . ?
N01X C72 H72B 109.1 . . ?
N01X C72 C11 112.4(18) . . ?
C14 O01A K1 113.1(12) . . ?
C14 O01A C48 110.7(17) . . ?
C48 O01A K1 113.2(11) . . ?
C15 O01C K1 112.7(11) . . ?
C73 O01C C15 111.3(16) . . ?
C73 O01C K1 110.0(10) . . ?
C02P O01D K3 116.8(11) . . ?
C21 O01D K3 116.7(13) . . ?
C21 O01D C02P 111.3(16) . . ?
C19 O01E K4 112.0(12) . . ?
C25 O01E K4 114.9(13) . . ?
C25 O01E C19 110.9(16) . . ?
C76 O01F K2 113.1(12) . . ?
C62 O01F K2 113.0(13) . . ?
C62 O01F C76 110.9(17) . . ?
C59 O01H K3 114.8(13) . . ?
C78 O01H K3 114.0(13) . . ?
C78 O01H C59 112.8(19) . . ?
C60 O01N K1 118.3(15) . . ?
C60 O01N C57 109.0(18) . . ?
C57 O01N K1 119.4(12) . . ?
C20 O01O K3 111.2(11) . . ?
C39 O01O K3 116.1(13) . . ?
C39 O01O C20 109.0(15) . . ?
C12 O01P K4 112.9(12) . . ?
C44 O01P K4 118.9(14) . . ?
C44 O01P C12 112.6(16) . . ?
C40 O01Q K1 115.5(12) . . ?
C55 O01Q K1 116.5(13) . . ?
C55 O01Q C40 111.2(18) . . ?
C18 O01S K2 110.7(12) . . ?
C37 O01S K2 115.9(13) . . ?
C37 O01S C18 116.1(19) . . ?
C3 O3 K1 143.3(13) . . ?
C72 C11 H11A 110.2 . . ?
C72 C11 H11B 110.2 . . ?
H11A C11 H11B 108.5 . . ?
O016 C11 C72 107.7(18) . . ?
O016 C11 H11A 110.2 . . ?
O016 C11 H11B 110.2 . . ?
O01P C12 H12A 109.8 . . ?
O01P C12 H12B 109.8 . . ?
O01P C12 C19 109.3(19) . . ?
H12A C12 H12B 108.3 . . ?
C19 C12 H12A 109.8 . . ?
C19 C12 H12B 109.8 . . ?
C02R O013 K2 112.4(11) . . ?
C02R O013 C77 112.5(16) . . ?
C77 O013 K2 111.7(12) . . ?
H13A C13 H13B 108.2 . . ?
O1T C13 H13A 109.8 . . ?
O1T C13 H13B 109.8 . . ?
O1T C13 C38 109.6(19) . . ?
C38 C13 H13A 109.8 . . ?
C38 C13 H13B 109.8 . . ?
C6 O6 K2 135.9(13) . . ?
O01A C14 H14A 109.7 . . ?
O01A C14 H14B 109.7 . . ?
O01A C14 C40 109.7(18) . . ?
H14A C14 H14B 108.2 . . ?
C40 C14 H14A 109.7 . . ?
C40 C14 H14B 109.7 . . ?
C69 O015 K2 113.2(10) . . ?
C02N O015 C69 111.4(15) . . ?
C02N O015 K2 115.2(11) . . ?
C11 O016 K2 116.0(11) . . ?
C11 O016 C02K 109.5(15) . . ?
C02K O016 K2 115.2(10) . . ?
H16A C16 H16B 107.3 . . ?
N025 C16 H16A 108.1 . . ?
N025 C16 H16B 108.1 . . ?
N025 C16 C76 116.9(17) . . ?
C76 C16 H16A 108.1 . . ?
C76 C16 H16B 108.1 . . ?
C65 O017 C70 111.4(15) . . ?
C65 O017 K2 115.0(11) . . ?
C70 O017 K2 118.5(11) . . ?
H17A C17 H17B 107.8 . . ?
N01X C17 H17A 109.1 . . ?
N01X C17 H17B 109.1 . . ?
N01X C17 C77 112.7(17) . . ?
C77 C17 H17A 109.1 . . ?
C77 C17 H17B 109.1 . . ?
O01S C18 H18A 109.7 . . ?
O01S C18 H18B 109.7 . . ?
O01S C18 C62 110(2) . . ?
H18A C18 H18B 108.2 . . ?
C62 C18 H18A 109.7 . . ?
C62 C18 H18B 109.7 . . ?
O01E C19 C12 109.4(18) . . ?
O01E C19 H19A 109.8 . . ?
O01E C19 H19B 109.8 . . ?
C12 C19 H19A 109.8 . . ?
C12 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
H22A C22 H22B 108.6 . . ?
O20 C22 H22A 110.4 . . ?
O20 C22 H22B 110.4 . . ?
C02W C22 H22A 110.4 . . ?
C02W C22 H22B 110.4 . . ?
C02W C22 O20 106.7(18) . . ?
C02F N01I K1 105.7(11) . . ?
C02F N01I C02J 110.8(14) . . ?
C02F N01I C28 110.1(17) . . ?
C02J N01I K1 109.2(11) . . ?
C02J N01I C28 112.2(17) . . ?
C28 N01I K1 108.6(11) . . ?
C67 O1R K3 117.1(12) . . ?
C67 O1R C45 110.5(18) . . ?
C45 O1R K3 111.0(12) . . ?
C13 O1T K1 120.8(14) . . ?
C23 O1T K1 115.3(11) . . ?
C23 O1T C13 114.2(19) . . ?
C02U O1U K4 115.6(12) . . ?
C02U O1U C64 113.6(19) . . ?
C64 O1U K4 112.5(15) . . ?
C26 O1V K3 114.1(14) . . ?
C54 O1V K3 118.9(14) . . ?
C54 O1V C26 110.2(19) . . ?
C72 N01X K2 110.3(11) . . ?
C17 N01X K2 111.8(12) . . ?
C17 N01X C72 109.1(17) . . ?
C17 N01X C34 111.1(18) . . ?
C34 N01X K2 105.4(12) . . ?
C34 N01X C72 109.0(17) . . ?
C02W O1Y K4 113.2(11) . . ?
C30 O1Y K4 115.1(12) . . ?
C30 O1Y C02W 111.9(16) . . ?
C27 O2A K4 112.5(13) . . ?
C61 O2A K4 113.9(14) . . ?
C61 O2A C27 118(2) . . ?
C22 O20 K4 114.3(12) . . ?
C36 O20 K4 120.0(12) . . ?
C36 O20 C22 113.4(16) . . ?
O01O C20 H20A 109.4 . . ?
O01O C20 H20B 109.4 . . ?
O01O C20 C02P 111.3(17) . . ?
H20A C20 H20B 108.0 . . ?
C02P C20 H20A 109.4 . . ?
C02P C20 H20B 109.4 . . ?
C29 O23 K3 115.3(12) . . ?
C29 O23 C58 109.6(18) . . ?
C58 O23 K3 113.9(13) . . ?
C15 C23 H23A 109.0 . . ?
C15 C23 H23B 109.0 . . ?
O1T C23 C15 112.7(19) . . ?
O1T C23 H23A 109.0 . . ?
O1T C23 H23B 109.0 . . ?
H23A C23 H23B 107.8 . . ?
C31 N23 K4 109.7(14) . . ?
C31 N23 C56 109(2) . . ?
C31 N23 C50 108.6(19) . . ?
C56 N23 K4 104.5(13) . . ?
C50 N23 K4 110.0(15) . . ?
C50 N23 C56 115(2) . . ?
C02X N024 K3 108.9(13) . . ?
C02X N024 C32 108.5(17) . . ?
C02X N024 C79 112.1(19) . . ?
C32 N024 K3 112.4(14) . . ?
C79 N024 K3 108.6(11) . . ?
C79 N024 C32 106.4(18) . . ?
N1 C24 H24A 109.3 . . ?
N1 C24 H24B 109.3 . . ?
N1 C24 C25 111.4(18) . . ?
H24A C24 H24B 108.0 . . ?
C25 C24 H24A 109.3 . . ?
C25 C24 H24B 109.3 . . ?
C47 N025 C66 111.8(16) . . ?
C47 N025 K2 109.9(10) . . ?
C47 N025 C16 110.9(16) . . ?
C66 N025 K2 106.6(11) . . ?
C66 N025 C16 111.0(16) . . ?
C16 N025 K2 106.4(12) . . ?
O01F C76 C16 108.1(16) . . ?
O01F C76 H76A 110.1 . . ?
O01F C76 H76B 110.1 . . ?
C16 C76 H76A 110.1 . . ?
C16 C76 H76B 110.1 . . ?
H76A C76 H76B 108.4 . . ?
O1 C1 Rh3 177.3(17) . . ?
O1U C02U H02O 108.9 . . ?
O1U C02U H02P 108.9 . . ?
O1U C02U C41 113(2) . . ?
H02O C02U H02P 107.7 . . ?
C41 C02U H02O 108.9 . . ?
C41 C02U H02P 108.9 . . ?
C65 C02R H02A 109.4 . . ?
C65 C02R H02B 109.4 . . ?
O013 C02R C65 111.3(17) . . ?
O013 C02R H02A 109.4 . . ?
O013 C02R H02B 109.4 . . ?
H02A C02R H02B 108.0 . . ?
C22 C02W H02Q 109.2 . . ?
C22 C02W H02R 109.2 . . ?
O1Y C02W C22 112.0(18) . . ?
O1Y C02W H02Q 109.2 . . ?
O1Y C02W H02R 109.2 . . ?
H02Q C02W H02R 107.9 . . ?
N024 C02X H02K 109.3 . . ?
N024 C02X H02L 109.3 . . ?
N024 C02X C29 112(2) . . ?
H02K C02X H02L 108.0 . . ?
C29 C02X H02K 109.3 . . ?
C29 C02X H02L 109.3 . . ?
N01I C02F H02C 108.3 . . ?
N01I C02F H02D 108.3 . . ?
N01I C02F C57 116.0(17) . . ?
H02C C02F H02D 107.4 . . ?
C57 C02F H02C 108.3 . . ?
C57 C02F H02D 108.3 . . ?
N01I C02J H02E 108.9 . . ?
N01I C02J H02F 108.9 . . ?
N01I C02J C48 113.5(17) . . ?
H02E C02J H02F 107.7 . . ?
C48 C02J H02E 108.9 . . ?
C48 C02J H02F 108.9 . . ?
C69 C02K H02G 110.0 . . ?
C69 C02K H02H 110.0 . . ?
O016 C02K C69 108.6(17) . . ?
O016 C02K H02G 110.0 . . ?
O016 C02K H02H 110.0 . . ?
H02G C02K H02H 108.3 . . ?
O01D C02P C20 107.3(18) . . ?
O01D C02P H02M 110.3 . . ?
O01D C02P H02N 110.3 . . ?
C20 C02P H02M 110.3 . . ?
C20 C02P H02N 110.3 . . ?
H02M C02P H02N 108.5 . . ?
O3 C3 Rh5 177.5(19) . . ?
C47 C02N H02I 109.9 . . ?
C47 C02N H02J 109.9 . . ?
O015 C02N C47 109.1(16) . . ?
O015 C02N H02I 109.9 . . ?
O015 C02N H02J 109.9 . . ?
H02I C02N H02J 108.3 . . ?
O9 C9 Rh12 177.4(18) . . ?
O4 C4 Rh6 175(2) . . ?
O8 C8 Rh11 177.7(15) . . ?
O01D C21 H21A 110.0 . . ?
O01D C21 H21B 110.0 . . ?
O01D C21 C53 108(2) . . ?
H21A C21 H21B 108.4 . . ?
C53 C21 H21A 110.0 . . ?
C53 C21 H21B 110.0 . . ?
O6 C6 Rh9 178.4(17) . . ?
O1V C26 H26A 109.7 . . ?
O1V C26 H26B 109.7 . . ?
O1V C26 C78 110(2) . . ?
H26A C26 H26B 108.2 . . ?
C78 C26 H26A 109.7 . . ?
C78 C26 H26B 109.7 . . ?
O7 C7 Rh10 179(2) . . ?
O2A C27 H27A 109.9 . . ?
O2A C27 H27B 109.9 . . ?
H27A C27 H27B 108.3 . . ?
C64 C27 O2A 109(2) . . ?
C64 C27 H27A 109.9 . . ?
C64 C27 H27B 109.9 . . ?
N01I C28 H28A 108.2 . . ?
N01I C28 H28B 108.2 . . ?
H28A C28 H28B 107.4 . . ?
C73 C28 N01I 116.2(17) . . ?
C73 C28 H28A 108.2 . . ?
C73 C28 H28B 108.2 . . ?
O23 C29 C02X 107(2) . . ?
O23 C29 H29A 110.2 . . ?
O23 C29 H29B 110.2 . . ?
C02X C29 H29A 110.2 . . ?
C02X C29 H29B 110.2 . . ?
H29A C29 H29B 108.5 . . ?
N4 C030 H03A 108.0 . . ?
N4 C030 H03B 108.0 . . ?
N4 C030 C67 117(2) . . ?
H03A C030 H03B 107.2 . . ?
C67 C030 H03A 108.0 . . ?
C67 C030 H03B 108.0 . . ?
Bi15 Bi14 Bi13 100.19(3) . . ?
Rh10 Bi14 Bi15 61.29(3) . . ?
Rh10 Bi14 Bi13 57.16(3) . . ?
Rh10 Bi14 Rh9 72.19(4) . . ?
Rh9 Bi14 Bi15 60.23(3) . . ?
Rh9 Bi14 Bi13 56.51(3) . . ?
O1Y C30 H30A 110.3 . . ?
O1Y C30 H30B 110.3 . . ?
O1Y C30 C31 106.9(19) . . ?
H30A C30 H30B 108.6 . . ?
C31 C30 H30A 110.3 . . ?
C31 C30 H30B 110.3 . . ?
N23 C31 C30 114.0(19) . . ?
N23 C31 H31A 108.7 . . ?
N23 C31 H31B 108.7 . . ?
C30 C31 H31A 108.7 . . ?
C30 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
Bi14 Bi15 Bi11 107.72(3) . . ?
Bi14 Bi15 Bi16 106.83(3) . . ?
Bi14 Bi15 Bi1 121.29(3) . . ?
Bi11 Bi15 Bi1 107.17(2) . . ?
Bi16 Bi15 Bi11 95.85(2) . . ?
Bi16 Bi15 Bi1 114.77(2) . . ?
Rh7 Bi15 Bi14 100.91(4) . . ?
Rh7 Bi15 Bi11 49.80(3) . . ?
Rh7 Bi15 Bi16 49.71(3) . . ?
Rh7 Bi15 Rh10 59.18(4) . . ?
Rh7 Bi15 Rh9 59.89(4) . . ?
Rh7 Bi15 Bi1 137.52(4) . . ?
Rh10 Bi15 Bi14 56.94(3) . . ?
Rh10 Bi15 Bi11 101.71(3) . . ?
Rh10 Bi15 Bi16 50.68(3) . . ?
Rh10 Bi15 Bi1 149.21(4) . . ?
Rh9 Bi15 Bi14 57.60(3) . . ?
Rh9 Bi15 Bi11 50.67(3) . . ?
Rh9 Bi15 Bi16 102.45(3) . . ?
Rh9 Bi15 Rh10 69.21(4) . . ?
Rh9 Bi15 Bi1 139.22(4) . . ?
N024 C32 H32A 109.7 . . ?
N024 C32 H32B 109.7 . . ?
N024 C32 C59 109.8(19) . . ?
H32A C32 H32B 108.2 . . ?
C59 C32 H32A 109.7 . . ?
C59 C32 H32B 109.7 . . ?
Rh8 Bi13 Bi14 118.53(4) . . ?
Rh8 Bi13 Rh10 72.28(4) . . ?
Rh8 Bi13 Rh9 75.16(4) . . ?
Rh10 Bi13 Bi14 58.14(3) . . ?
Rh9 Bi13 Bi14 58.61(3) . . ?
Rh9 Bi13 Rh10 73.63(4) . . ?
O013 C77 C17 110.5(17) . . ?
O013 C77 H77A 109.6 . . ?
O013 C77 H77B 109.6 . . ?
C17 C77 H77A 109.6 . . ?
C17 C77 H77B 109.6 . . ?
H77A C77 H77B 108.1 . . ?
Bi15 Bi11 Bi5 70.83(2) . . ?
Bi12 Bi11 Bi15 102.93(3) . . ?
Bi12 Bi11 Bi20 103.95(2) . . ?
Bi12 Bi11 Bi5 173.68(3) . . ?
Bi20 Bi11 Bi15 77.55(2) . . ?
Bi20 Bi11 Bi5 76.05(2) . . ?
Rh12 Bi11 Bi15 109.98(4) . . ?
Rh12 Bi11 Bi12 55.12(3) . . ?
Rh12 Bi11 Bi20 54.43(3) . . ?
Rh12 Bi11 Bi5 127.29(4) . . ?
Rh7 Bi11 Bi15 48.99(3) . . ?
Rh7 Bi11 Bi12 74.47(3) . . ?
Rh7 Bi11 Bi20 49.19(3) . . ?
Rh7 Bi11 Rh12 61.00(4) . . ?
Rh7 Bi11 Rh9 60.92(4) . . ?
Rh7 Bi11 Bi5 101.36(4) . . ?
Rh9 Bi11 Bi15 53.41(3) . . ?
Rh9 Bi11 Bi12 54.95(3) . . ?
Rh9 Bi11 Bi20 110.06(3) . . ?
Rh9 Bi11 Rh12 96.07(4) . . ?
Rh9 Bi11 Bi5 118.95(4) . . ?
O10 C10 Rh8 179(2) . . ?
Bi15 Bi16 Bi10 65.12(2) . . ?
Bi20 Bi16 Bi15 77.80(2) . . ?
Bi20 Bi16 Bi10 75.70(2) . . ?
Bi17 Bi16 Bi15 104.91(2) . . ?
Bi17 Bi16 Bi20 104.51(3) . . ?
Bi17 Bi16 Bi10 169.90(3) . . ?
Rh11 Bi16 Bi15 110.29(3) . . ?
Rh11 Bi16 Bi20 54.34(3) . . ?
Rh11 Bi16 Bi17 55.00(3) . . ?
Rh11 Bi16 Bi10 128.45(4) . . ?
Rh7 Bi16 Bi15 49.19(3) . . ?
Rh7 Bi16 Bi20 49.35(3) . . ?
Rh7 Bi16 Bi17 76.02(3) . . ?
Rh7 Bi16 Rh11 61.12(4) . . ?
Rh7 Bi16 Rh10 60.84(4) . . ?
Rh7 Bi16 Bi10 97.27(3) . . ?
Rh10 Bi16 Bi15 54.42(3) . . ?
Rh10 Bi16 Bi20 110.17(4) . . ?
Rh10 Bi16 Bi17 55.39(3) . . ?
Rh10 Bi16 Rh11 95.30(4) . . ?
Rh10 Bi16 Bi10 114.81(3) . . ?
N01X C34 H34A 108.5 . . ?
N01X C34 H34B 108.5 . . ?
H34A C34 H34B 107.5 . . ?
C37 C34 N01X 115(2) . . ?
C37 C34 H34A 108.5 . . ?
C37 C34 H34B 108.5 . . ?
N4 C35 H35A 109.1 . . ?
N4 C35 H35B 109.1 . . ?
N4 C35 C54 112.3(19) . . ?
H35A C35 H35B 107.9 . . ?
C54 C35 H35A 109.1 . . ?
C54 C35 H35B 109.1 . . ?
Rh12 Bi12 Bi11 56.87(3) . . ?
Rh8 Bi12 Bi11 97.82(4) . . ?
Rh8 Bi12 Rh12 72.17(4) . . ?
Rh8 Bi12 Rh9 76.05(4) . . ?
Rh9 Bi12 Bi11 56.68(3) . . ?
Rh9 Bi12 Rh12 98.75(4) . . ?
O01S C37 C34 110(2) . . ?
O01S C37 H37 124.8 . . ?
C34 C37 H37 124.8 . . ?
Bi16 Bi20 Bi11 96.92(2) . . ?
Rh11 Bi20 Bi11 102.35(3) . . ?
Rh11 Bi20 Bi16 51.33(3) . . ?
Rh11 Bi20 Rh12 68.15(4) . . ?
Rh11 Bi20 Bi19 57.39(3) . . ?
Rh12 Bi20 Bi11 51.14(3) . . ?
Rh12 Bi20 Bi16 102.20(4) . . ?
Rh12 Bi20 Bi19 57.70(3) . . ?
Rh7 Bi20 Bi11 50.28(3) . . ?
Rh7 Bi20 Bi16 50.14(3) . . ?
Rh7 Bi20 Rh11 59.95(4) . . ?
Rh7 Bi20 Rh12 59.82(4) . . ?
Rh7 Bi20 Bi19 102.34(4) . . ?
Bi19 Bi20 Bi11 107.89(3) . . ?
Bi19 Bi20 Bi16 107.77(3) . . ?
O20 C36 H36A 109.1 . . ?
O20 C36 H36B 109.1 . . ?
O20 C36 C43 112(2) . . ?
H36A C36 H36B 107.8 . . ?
C43 C36 H36A 109.1 . . ?
C43 C36 H36B 109.1 . . ?
Rh11 Bi17 Bi16 57.24(3) . . ?
Rh11 Bi17 Rh10 98.12(4) . . ?
Rh8 Bi17 Bi16 96.68(4) . . ?
Rh8 Bi17 Rh11 71.53(4) . . ?
Rh8 Bi17 Rh10 73.57(4) . . ?
Rh10 Bi17 Bi16 56.88(3) . . ?
O01H C59 C32 108.6(19) . . ?
O01H C59 H59A 110.0 . . ?
O01H C59 H59B 110.0 . . ?
C32 C59 H59A 110.0 . . ?
C32 C59 H59B 110.0 . . ?
H59A C59 H59B 108.4 . . ?
Rh5 Rh1 Rh6 73.39(5) . . ?
Rh5 Rh1 Rh4 96.66(6) . . ?
Rh5 Rh1 Rh3 144.15(6) . . ?
Rh6 Rh1 Rh3 96.21(6) . . ?
Rh2 Rh1 Rh5 71.95(5) . . ?
Rh2 Rh1 Rh6 74.92(6) . . ?
Rh2 Rh1 Rh4 69.13(5) . . ?
Rh2 Rh1 Rh3 72.22(5) . . ?
Rh4 Rh1 Rh6 144.01(6) . . ?
Rh4 Rh1 Rh3 71.45(5) . . ?
Bi10 Rh1 Rh5 64.54(4) . . ?
Bi10 Rh1 Rh6 64.92(5) . . ?
Bi10 Rh1 Rh2 126.94(6) . . ?
Bi10 Rh1 Rh4 142.29(6) . . ?
Bi10 Rh1 Rh3 142.33(6) . . ?
Bi10 Rh1 Bi6 80.92(4) . . ?
Bi10 Rh1 Bi1 81.41(4) . . ?
Bi10 Rh1 Bi5 109.07(5) . . ?
Bi6 Rh1 Rh5 61.58(4) . . ?
Bi6 Rh1 Rh6 132.06(6) . . ?
Bi6 Rh1 Rh2 104.06(5) . . ?
Bi6 Rh1 Rh4 61.43(5) . . ?
Bi6 Rh1 Rh3 129.87(6) . . ?
Bi1 Rh1 Rh5 131.54(6) . . ?
Bi1 Rh1 Rh6 60.94(4) . . ?
Bi1 Rh1 Rh2 108.33(6) . . ?
Bi1 Rh1 Rh4 129.69(6) . . ?
Bi1 Rh1 Rh3 61.01(4) . . ?
Bi1 Rh1 Bi6 147.54(6) . . ?
Bi5 Rh1 Rh5 141.54(6) . . ?
Bi5 Rh1 Rh6 141.17(6) . . ?
Bi5 Rh1 Rh2 123.91(6) . . ?
Bi5 Rh1 Rh4 64.56(5) . . ?
Bi5 Rh1 Rh3 64.50(4) . . ?
Bi5 Rh1 Bi6 80.05(4) . . ?
Bi5 Rh1 Bi1 80.32(4) . . ?
O1R C67 C030 109.2(19) . . ?
O1R C67 H67A 109.8 . . ?
O1R C67 H67B 109.8 . . ?
C030 C67 H67A 109.8 . . ?
C030 C67 H67B 109.8 . . ?
H67A C67 H67B 108.3 . . ?
O1U C64 C27 111(2) . . ?
O1U C64 H64A 109.5 . . ?
O1U C64 H64B 109.5 . . ?
C27 C64 H64A 109.5 . . ?
C27 C64 H64B 109.5 . . ?
H64A C64 H64B 108.1 . . ?
N3 C63 H63A 109.2 . . ?
N3 C63 H63B 109.2 . . ?
H63A C63 H63B 107.9 . . ?
C68 C63 N3 112(2) . . ?
C68 C63 H63A 109.2 . . ?
C68 C63 H63B 109.2 . . ?
C63 C68 H68A 109.6 . . ?
C63 C68 H68B 109.6 . . ?
H68A C68 H68B 108.1 . . ?
O60 C68 C63 110(2) . . ?
O60 C68 H68A 109.6 . . ?
O60 C68 H68B 109.6 . . ?
O01C C73 C28 107.7(18) . . ?
O01C C73 H73A 110.2 . . ?
O01C C73 H73B 110.2 . . ?
C28 C73 H73A 110.2 . . ?
C28 C73 H73B 110.2 . . ?
H73A C73 H73B 108.5 . . ?
N024 C79 H79A 108.9 . . ?
N024 C79 H79B 108.9 . . ?
N024 C79 C39 113.4(19) . . ?
H79A C79 H79B 107.7 . . ?
C39 C79 H79A 108.9 . . ?
C39 C79 H79B 108.9 . . ?
O01F C62 C18 110(2) . . ?
O01F C62 H62A 109.8 . . ?
O01F C62 H62B 109.8 . . ?
C18 C62 H62A 109.8 . . ?
C18 C62 H62B 109.8 . . ?
H62A C62 H62B 108.2 . . ?
O2A C61 H61 123.1 . . ?
O2A C61 C50 114(3) . . ?
C50 C61 H61 123.1 . . ?
C3 Rh5 Rh1 161.3(6) . . ?
C3 Rh5 Bi10 119.3(6) . . ?
C3 Rh5 Bi9 89.4(7) . . ?
C3 Rh5 Bi8 106.6(6) . . ?
C3 Rh5 Bi6 103.8(6) . . ?
C3 Rh5 Bi7 95.8(7) . . ?
Rh1 Rh5 Bi10 55.85(4) . . ?
Rh1 Rh5 Bi9 101.59(5) . . ?
Rh1 Rh5 Bi6 57.82(4) . . ?
Bi9 Rh5 Bi10 62.09(4) . . ?
Bi8 Rh5 Rh1 91.87(5) . . ?
Bi8 Rh5 Bi10 106.60(5) . . ?
Bi8 Rh5 Bi9 64.76(4) . . ?
Bi8 Rh5 Bi6 143.16(6) . . ?
Bi6 Rh5 Bi10 75.07(4) . . ?
Bi6 Rh5 Bi9 136.01(6) . . ?
Bi7 Rh5 Rh1 80.84(5) . . ?
Bi7 Rh5 Bi10 133.34(5) . . ?
Bi7 Rh5 Bi9 154.39(6) . . ?
Bi7 Rh5 Bi8 89.77(5) . . ?
Bi7 Rh5 Bi6 66.81(4) . . ?
C52 O60 K1 111.0(14) . . ?
C68 O60 C52 113(2) . . ?
C68 O60 K1 111.2(15) . . ?
C4 Rh6 Rh1 161.6(7) . . ?
C4 Rh6 Bi10 122.3(8) . . ?
C4 Rh6 Bi9 91.5(6) . . ?
C4 Rh6 Bi8 105.7(8) . . ?
C4 Rh6 Bi1 103.8(7) . . ?
C4 Rh6 Bi2 97.0(7) . . ?
Rh1 Rh6 Bi10 55.47(4) . . ?
Rh1 Rh6 Bi9 101.27(5) . . ?
Bi9 Rh6 Bi10 61.81(4) . . ?
Bi8 Rh6 Rh1 91.80(5) . . ?
Bi8 Rh6 Bi10 106.23(5) . . ?
Bi8 Rh6 Bi9 64.87(4) . . ?
Bi8 Rh6 Bi1 142.94(6) . . ?
Bi1 Rh6 Rh1 57.86(4) . . ?
Bi1 Rh6 Bi10 75.42(4) . . ?
Bi1 Rh6 Bi9 136.05(6) . . ?
Bi2 Rh6 Rh1 78.46(5) . . ?
Bi2 Rh6 Bi10 132.23(6) . . ?
Bi2 Rh6 Bi9 150.15(6) . . ?
Bi2 Rh6 Bi8 85.27(4) . . ?
Bi2 Rh6 Bi1 69.22(4) . . ?
O23 C58 H58A 110.9 . . ?
O23 C58 H58B 110.9 . . ?
O23 C58 C45 104.4(19) . . ?
H58A C58 H58B 108.9 . . ?
C45 C58 H58A 110.9 . . ?
C45 C58 H58B 110.9 . . ?
C5 Rh2 Rh1 178.2(6) . . ?
C5 Rh2 Rh4 125.3(7) . . ?
C5 Rh2 Bi8 86.3(6) . . ?
C5 Rh2 Bi7 99.2(6) . . ?
C5 Rh2 Bi2 98.2(6) . . ?
C5 Rh2 Bi3 83.8(6) . . ?
Rh1 Rh2 Rh4 55.99(5) . . ?
Bi8 Rh2 Rh1 93.31(6) . . ?
Bi8 Rh2 Rh4 135.55(6) . . ?
Bi7 Rh2 Rh1 82.55(5) . . ?
Bi7 Rh2 Rh4 56.10(4) . . ?
Bi7 Rh2 Bi8 92.03(5) . . ?
Bi7 Rh2 Bi2 162.49(6) . . ?
Bi7 Rh2 Bi3 94.86(5) . . ?
Bi2 Rh2 Rh1 80.06(5) . . ?
Bi2 Rh2 Rh4 114.18(6) . . ?
Bi2 Rh2 Bi8 86.90(5) . . ?
Bi2 Rh2 Bi3 89.17(5) . . ?
Bi3 Rh2 Rh1 96.39(6) . . ?
Bi3 Rh2 Rh4 55.51(4) . . ?
Bi3 Rh2 Bi8 168.74(6) . . ?
O01N C57 C02F 108.8(16) . . ?
O01N C57 H57A 109.9 . . ?
O01N C57 H57B 109.9 . . ?
C02F C57 H57A 109.9 . . ?
C02F C57 H57B 109.9 . . ?
H57A C57 H57B 108.3 . . ?
Rh1 Rh4 Rh2 54.87(5) . . ?
Rh1 Rh4 Bi6 57.71(4) . . ?
Rh1 Rh4 Bi5 55.77(4) . . ?
Rh1 Rh4 Bi4 102.60(6) . . ?
C2 Rh4 Rh1 159.8(7) . . ?
C2 Rh4 Rh2 134.2(6) . . ?
C2 Rh4 Bi6 102.2(7) . . ?
C2 Rh4 Bi7 93.0(7) . . ?
C2 Rh4 Bi5 121.4(6) . . ?
C2 Rh4 Bi3 104.5(6) . . ?
C2 Rh4 Bi4 91.0(7) . . ?
Bi6 Rh4 Rh2 92.34(5) . . ?
Bi6 Rh4 Bi5 74.23(4) . . ?
Bi6 Rh4 Bi4 134.39(6) . . ?
Bi7 Rh4 Rh1 80.38(5) . . ?
Bi7 Rh4 Rh2 53.58(4) . . ?
Bi7 Rh4 Bi6 66.60(4) . . ?
Bi7 Rh4 Bi5 132.47(6) . . ?
Bi7 Rh4 Bi4 156.96(6) . . ?
Bi5 Rh4 Rh2 104.24(5) . . ?
Bi3 Rh4 Rh1 94.86(5) . . ?
Bi3 Rh4 Rh2 54.63(4) . . ?
Bi3 Rh4 Bi6 146.74(6) . . ?
Bi3 Rh4 Bi7 92.33(5) . . ?
Bi3 Rh4 Bi5 107.41(5) . . ?
Bi3 Rh4 Bi4 64.73(4) . . ?
Bi4 Rh4 Rh2 109.23(6) . . ?
Bi4 Rh4 Bi5 61.89(4) . . ?
N23 C56 H56A 108.6 . . ?
N23 C56 H56B 108.6 . . ?
H56A C56 H56B 107.6 . . ?
C44 C56 N23 115(2) . . ?
C44 C56 H56A 108.6 . . ?
C44 C56 H56B 108.6 . . ?
C1 Rh3 Rh1 159.3(6) . . ?
C1 Rh3 Bi1 101.6(6) . . ?
C1 Rh3 Bi2 94.0(6) . . ?
C1 Rh3 Bi5 123.7(5) . . ?
C1 Rh3 Bi3 104.5(6) . . ?
C1 Rh3 Bi4 93.1(6) . . ?
Rh1 Rh3 Bi5 55.62(4) . . ?
Rh1 Rh3 Bi4 102.49(6) . . ?
Bi1 Rh3 Rh1 57.68(4) . . ?
Bi1 Rh3 Bi5 74.56(4) . . ?
Bi1 Rh3 Bi4 134.81(6) . . ?
Bi2 Rh3 Rh1 78.47(5) . . ?
Bi2 Rh3 Bi1 69.24(4) . . ?
Bi2 Rh3 Bi5 132.08(5) . . ?
Bi2 Rh3 Bi3 87.64(5) . . ?
Bi2 Rh3 Bi4 152.44(6) . . ?
Bi3 Rh3 Rh1 94.58(5) . . ?
Bi3 Rh3 Bi1 146.14(6) . . ?
Bi3 Rh3 Bi5 107.26(5) . . ?
Bi3 Rh3 Bi4 64.80(4) . . ?
Bi4 Rh3 Bi5 61.92(4) . . ?
C8 Rh11 Bi16 101.8(5) . . ?
C8 Rh11 Bi20 121.3(5) . . ?
C8 Rh11 Bi17 93.5(5) . . ?
C8 Rh11 Rh8 135.5(5) . . ?
C8 Rh11 Rh7 159.1(5) . . ?
C8 Rh11 Bi18 104.9(5) . . ?
C8 Rh11 Bi19 91.4(5) . . ?
Bi16 Rh11 Bi20 74.33(4) . . ?
Bi16 Rh11 Rh8 92.52(5) . . ?
Bi16 Rh11 Bi19 134.61(5) . . ?
Bi20 Rh11 Rh8 103.01(5) . . ?
Bi17 Rh11 Bi16 67.76(4) . . ?
Bi17 Rh11 Bi20 132.92(5) . . ?
Bi17 Rh11 Rh8 53.57(4) . . ?
Bi17 Rh11 Rh7 80.49(5) . . ?
Bi17 Rh11 Bi18 90.85(4) . . ?
Bi17 Rh11 Bi19 155.23(6) . . ?
Rh7 Rh11 Bi16 57.45(4) . . ?
Rh7 Rh11 Bi20 55.44(4) . . ?
Rh7 Rh11 Rh8 54.50(4) . . ?
Rh7 Rh11 Bi19 102.41(5) . . ?
Bi18 Rh11 Bi16 146.65(5) . . ?
Bi18 Rh11 Bi20 107.31(5) . . ?
Bi18 Rh11 Rh8 54.28(4) . . ?
Bi18 Rh11 Rh7 95.17(5) . . ?
Bi18 Rh11 Bi19 64.45(4) . . ?
Bi19 Rh11 Bi20 61.92(4) . . ?
Bi19 Rh11 Rh8 107.89(5) . . ?
O1V C54 C35 109(2) . . ?
O1V C54 H54A 110.0 . . ?
O1V C54 H54B 110.0 . . ?
C35 C54 H54A 110.0 . . ?
C35 C54 H54B 110.0 . . ?
H54A C54 H54B 108.3 . . ?
C9 Rh12 Bi11 98.8(6) . . ?
C9 Rh12 Bi12 93.6(7) . . ?
C9 Rh12 Bi20 121.5(7) . . ?
C9 Rh12 Rh7 156.5(6) . . ?
C9 Rh12 Bi18 107.3(6) . . ?
C9 Rh12 Bi19 94.2(6) . . ?
Bi11 Rh12 Bi20 74.43(4) . . ?
Bi11 Rh12 Bi19 134.39(6) . . ?
Bi12 Rh12 Bi11 68.01(4) . . ?
Bi12 Rh12 Bi20 131.86(5) . . ?
Bi12 Rh12 Rh7 79.08(5) . . ?
Bi12 Rh12 Bi18 90.20(5) . . ?
Bi12 Rh12 Bi19 154.34(6) . . ?
Rh7 Rh12 Bi11 57.75(4) . . ?
Rh7 Rh12 Bi20 55.34(4) . . ?
Rh7 Rh12 Bi19 101.96(5) . . ?
Bi18 Rh12 Bi11 147.01(6) . . ?
Bi18 Rh12 Bi20 106.93(5) . . ?
Bi18 Rh12 Rh7 95.06(5) . . ?
Bi18 Rh12 Bi19 64.14(4) . . ?
Bi19 Rh12 Bi20 61.60(4) . . ?
N4 C53 C21 117(2) . . ?
N4 C53 H53 121.7 . . ?
C21 C53 H53 121.7 . . ?
Bi13 Rh8 Rh11 134.58(6) . . ?
Bi13 Rh8 Rh7 93.46(5) . . ?
C10 Rh8 Bi13 84.1(7) . . ?
C10 Rh8 Bi12 100.1(6) . . ?
C10 Rh8 Bi17 97.0(6) . . ?
C10 Rh8 Rh11 125.6(6) . . ?
C10 Rh8 Rh7 177.4(7) . . ?
C10 Rh8 Bi18 85.4(7) . . ?
Bi12 Rh8 Bi13 86.59(4) . . ?
Bi12 Rh8 Rh11 115.74(5) . . ?
Bi12 Rh8 Rh7 80.62(5) . . ?
Bi12 Rh8 Bi18 92.07(5) . . ?
Bi17 Rh8 Bi13 91.82(5) . . ?
Bi17 Rh8 Bi12 162.55(6) . . ?
Bi17 Rh8 Rh11 54.90(4) . . ?
Bi17 Rh8 Rh7 82.13(5) . . ?
Bi17 Rh8 Bi18 92.69(5) . . ?
Rh7 Rh8 Rh11 55.87(4) . . ?
Bi18 Rh8 Bi13 168.96(6) . . ?
Bi18 Rh8 Rh11 55.45(4) . . ?
Bi18 Rh8 Rh7 97.14(5) . . ?
Bi15 Rh7 Bi11 81.20(4) . . ?
Bi15 Rh7 Bi16 81.10(4) . . ?
Bi15 Rh7 Rh11 142.48(6) . . ?
Bi15 Rh7 Rh12 142.42(6) . . ?
Bi15 Rh7 Rh8 126.75(6) . . ?
Bi15 Rh7 Rh10 65.18(4) . . ?
Bi15 Rh7 Rh9 64.06(4) . . ?
Bi11 Rh7 Rh11 130.10(6) . . ?
Bi11 Rh7 Rh12 61.25(4) . . ?
Bi11 Rh7 Rh8 106.98(5) . . ?
Bi11 Rh7 Rh10 131.72(6) . . ?
Bi11 Rh7 Rh9 61.07(4) . . ?
Bi16 Rh7 Bi11 147.84(5) . . ?
Bi16 Rh7 Rh11 61.43(4) . . ?
Bi16 Rh7 Rh12 130.37(6) . . ?
Bi16 Rh7 Rh8 105.14(5) . . ?
Bi16 Rh7 Rh10 61.39(4) . . ?
Bi16 Rh7 Rh9 131.26(6) . . ?
Bi20 Rh7 Bi15 109.79(5) . . ?
Bi20 Rh7 Bi11 80.53(4) . . ?
Bi20 Rh7 Bi16 80.52(4) . . ?
Bi20 Rh7 Rh11 64.61(4) . . ?
Bi20 Rh7 Rh12 64.84(4) . . ?
Bi20 Rh7 Rh8 123.45(6) . . ?
Bi20 Rh7 Rh10 141.88(6) . . ?
Bi20 Rh7 Rh9 141.49(6) . . ?
Rh12 Rh7 Rh11 71.70(5) . . ?
Rh8 Rh7 Rh11 69.63(5) . . ?
Rh8 Rh7 Rh12 70.70(5) . . ?
Rh8 Rh7 Rh10 72.08(5) . . ?
Rh8 Rh7 Rh9 74.43(5) . . ?
Rh10 Rh7 Rh11 95.82(5) . . ?
Rh10 Rh7 Rh12 142.77(6) . . ?
Rh10 Rh7 Rh9 73.07(5) . . ?
Rh9 Rh7 Rh11 144.06(6) . . ?
Rh9 Rh7 Rh12 96.32(5) . . ?
O2 C2 Rh4 178.2(19) . . ?
C7 Rh10 Bi14 89.7(5) . . ?
C7 Rh10 Bi15 123.9(6) . . ?
C7 Rh10 Bi13 102.7(6) . . ?
C7 Rh10 Bi16 106.4(6) . . ?
C7 Rh10 Bi17 93.6(5) . . ?
C7 Rh10 Rh7 164.2(6) . . ?
Bi14 Rh10 Bi15 61.76(3) . . ?
Bi13 Rh10 Bi14 64.70(3) . . ?
Bi13 Rh10 Bi15 105.69(4) . . ?
Bi13 Rh10 Bi16 143.92(5) . . ?
Bi13 Rh10 Rh7 92.04(5) . . ?
Bi16 Rh10 Bi14 135.22(5) . . ?
Bi16 Rh10 Bi15 74.90(4) . . ?
Bi17 Rh10 Bi14 154.35(5) . . ?
Bi17 Rh10 Bi15 133.30(5) . . ?
Bi17 Rh10 Bi13 89.79(4) . . ?
Bi17 Rh10 Bi16 67.73(3) . . ?
Bi17 Rh10 Rh7 80.57(5) . . ?
Rh7 Rh10 Bi14 101.91(5) . . ?
Rh7 Rh10 Bi15 55.64(4) . . ?
Rh7 Rh10 Bi16 57.77(4) . . ?
N23 C50 H50 122.7 . . ?
C61 C50 N23 115(2) . . ?
C61 C50 H50 122.7 . . ?
C6 Rh9 Bi14 90.9(5) . . ?
C6 Rh9 Bi15 121.1(5) . . ?
C6 Rh9 Bi13 105.1(5) . . ?
C6 Rh9 Bi11 103.8(5) . . ?
C6 Rh9 Bi12 96.3(5) . . ?
C6 Rh9 Rh7 161.7(5) . . ?
Bi14 Rh9 Bi15 62.17(3) . . ?
Bi13 Rh9 Bi14 64.89(4) . . ?
Bi13 Rh9 Bi15 107.50(5) . . ?
Bi13 Rh9 Bi11 142.93(5) . . ?
Bi13 Rh9 Rh7 92.44(5) . . ?
Bi11 Rh9 Bi14 137.08(5) . . ?
Bi11 Rh9 Bi15 75.92(4) . . ?
Bi12 Rh9 Bi14 150.64(6) . . ?
Bi12 Rh9 Bi15 133.37(5) . . ?
Bi12 Rh9 Bi13 85.77(4) . . ?
Bi12 Rh9 Bi11 68.37(4) . . ?
Bi12 Rh9 Rh7 79.48(5) . . ?
Rh7 Rh9 Bi14 101.50(5) . . ?
Rh7 Rh9 Bi15 56.05(4) . . ?
Rh7 Rh9 Bi11 58.02(4) . . ?
O01H C78 C26 110(2) . . ?
O01H C78 H78A 109.6 . . ?
O01H C78 H78B 109.6 . . ?
C26 C78 H78A 109.6 . . ?
C26 C78 H78B 109.6 . . ?
H78A C78 H78B 108.1 . . ?
Rh1 Bi10 Bi16 134.31(4) . . ?
Rh1 Bi10 Rh5 59.61(4) . . ?
Rh1 Bi10 Rh6 59.60(4) . . ?
Rh1 Bi10 Bi9 100.80(4) . . ?
Rh1 Bi10 Bi6 49.96(3) . . ?
Rh1 Bi10 Bi1 49.68(3) . . ?
Rh5 Bi10 Bi16 138.42(4) . . ?
Rh5 Bi10 Rh6 69.49(4) . . ?
Rh5 Bi10 Bi9 57.35(3) . . ?
Rh5 Bi10 Bi6 51.12(3) . . ?
Rh5 Bi10 Bi1 102.04(3) . . ?
Rh6 Bi10 Bi16 150.96(4) . . ?
Rh6 Bi10 Bi9 57.12(3) . . ?
Rh6 Bi10 Bi6 102.62(4) . . ?
Rh6 Bi10 Bi1 50.39(3) . . ?
Bi9 Bi10 Bi16 124.32(3) . . ?
Bi9 Bi10 Bi6 107.83(3) . . ?
Bi9 Bi10 Bi1 106.87(3) . . ?
Bi6 Bi10 Bi16 103.60(3) . . ?
Bi6 Bi10 Bi1 95.87(2) . . ?
Bi1 Bi10 Bi16 114.27(2) . . ?
O01A C48 C02J 107.6(18) . . ?
O01A C48 H48A 110.2 . . ?
O01A C48 H48B 110.2 . . ?
C02J C48 H48A 110.2 . . ?
C02J C48 H48B 110.2 . . ?
H48A C48 H48B 108.5 . . ?
Rh5 Bi9 Rh6 72.56(4) . . ?
Rh5 Bi9 Bi10 60.55(3) . . ?
Rh5 Bi9 Bi8 56.98(3) . . ?
Rh6 Bi9 Bi10 61.07(4) . . ?
Rh6 Bi9 Bi8 56.77(3) . . ?
Bi10 Bi9 Bi8 100.10(3) . . ?
Rh5 Bi8 Bi9 58.26(4) . . ?
Rh6 Bi8 Rh5 73.91(4) . . ?
Rh6 Bi8 Bi9 58.36(3) . . ?
Rh2 Bi8 Rh5 72.31(5) . . ?
Rh2 Bi8 Rh6 75.65(5) . . ?
Rh2 Bi8 Bi9 118.64(4) . . ?
Rh1 Bi6 Rh5 60.61(4) . . ?
Rh1 Bi6 Rh4 60.85(4) . . ?
Rh1 Bi6 Bi10 49.12(3) . . ?
Rh1 Bi6 Bi7 76.76(4) . . ?
Rh1 Bi6 Bi5 49.62(3) . . ?
Rh5 Bi6 Bi10 53.82(3) . . ?
Rh5 Bi6 Bi7 55.80(3) . . ?
Rh5 Bi6 Bi5 110.18(4) . . ?
Rh4 Bi6 Rh5 95.71(5) . . ?
Rh4 Bi6 Bi10 109.95(4) . . ?
Rh4 Bi6 Bi7 56.18(4) . . ?
Rh4 Bi6 Bi5 54.38(4) . . ?
Bi7 Bi6 Bi10 105.09(3) . . ?
Bi7 Bi6 Bi5 105.94(3) . . ?
Bi5 Bi6 Bi10 77.62(2) . . ?
O1R C45 C58 107(2) . . ?
O1R C45 H45A 110.3 . . ?
O1R C45 H45B 110.3 . . ?
C58 C45 H45A 110.3 . . ?
C58 C45 H45B 110.3 . . ?
H45A C45 H45B 108.5 . . ?
Rh5 Bi7 Rh4 97.65(5) . . ?
Rh5 Bi7 Bi6 57.39(4) . . ?
Rh2 Bi7 Rh5 73.31(5) . . ?
Rh2 Bi7 Rh4 70.32(5) . . ?
Rh2 Bi7 Bi6 96.55(4) . . ?
Rh4 Bi7 Bi6 57.22(4) . . ?
O01P C44 C56 110(2) . . ?
O01P C44 H44A 109.7 . . ?
O01P C44 H44B 109.7 . . ?
C56 C44 H44A 109.7 . . ?
C56 C44 H44B 109.7 . . ?
H44A C44 H44B 108.2 . . ?
Rh1 Bi1 Bi15 94.91(4) . . ?
Rh1 Bi1 Rh6 61.20(4) . . ?
Rh1 Bi1 Rh3 61.31(4) . . ?
Rh1 Bi1 Bi10 48.91(3) . . ?
Rh1 Bi1 Bi2 73.24(3) . . ?
Rh1 Bi1 Bi5 49.51(3) . . ?
Rh6 Bi1 Bi15 115.60(4) . . ?
Rh6 Bi1 Rh3 96.55(4) . . ?
Rh6 Bi1 Bi10 54.20(3) . . ?
Rh6 Bi1 Bi2 54.74(3) . . ?
Rh6 Bi1 Bi5 110.67(4) . . ?
Rh3 Bi1 Bi15 124.30(4) . . ?
Rh3 Bi1 Bi10 110.18(4) . . ?
Rh3 Bi1 Bi2 54.47(3) . . ?
Rh3 Bi1 Bi5 54.43(3) . . ?
Bi10 Bi1 Bi15 65.13(2) . . ?
Bi2 Bi1 Bi15 167.21(3) . . ?
Bi2 Bi1 Bi10 102.68(2) . . ?
Bi2 Bi1 Bi5 102.91(3) . . ?
Bi5 Bi1 Bi15 71.55(2) . . ?
Bi5 Bi1 Bi10 77.30(2) . . ?
N1 C43 C36 112(2) . . ?
N1 C43 H43A 109.2 . . ?
N1 C43 H43B 109.2 . . ?
C36 C43 H43A 109.2 . . ?
C36 C43 H43B 109.2 . . ?
H43A C43 H43B 107.9 . . ?
Rh6 Bi2 Bi1 56.04(3) . . ?
Rh2 Bi2 Rh6 76.78(5) . . ?
Rh2 Bi2 Rh3 74.28(5) . . ?
Rh2 Bi2 Bi1 98.32(4) . . ?
Rh3 Bi2 Rh6 99.03(5) . . ?
Rh3 Bi2 Bi1 56.29(3) . . ?
O01E C25 C24 107.5(19) . . ?
O01E C25 H25A 110.2 . . ?
O01E C25 H25B 110.2 . . ?
C24 C25 H25A 110.2 . . ?
C24 C25 H25B 110.2 . . ?
H25A C25 H25B 108.5 . . ?
Rh1 Bi5 Bi11 129.27(4) . . ?
Rh1 Bi5 Rh4 59.67(4) . . ?
Rh1 Bi5 Rh3 59.88(4) . . ?
Rh1 Bi5 Bi6 50.33(3) . . ?
Rh1 Bi5 Bi1 50.16(3) . . ?
Rh1 Bi5 Bi4 102.26(4) . . ?
Rh4 Bi5 Bi11 144.25(4) . . ?
Rh4 Bi5 Rh3 67.95(4) . . ?
Rh4 Bi5 Bi6 51.38(3) . . ?
Rh4 Bi5 Bi1 101.87(4) . . ?
Rh4 Bi5 Bi4 57.61(4) . . ?
Rh3 Bi5 Bi11 147.71(4) . . ?
Rh3 Bi5 Bi6 102.44(3) . . ?
Rh3 Bi5 Bi1 51.01(3) . . ?
Rh3 Bi5 Bi4 57.42(4) . . ?
Bi6 Bi5 Bi11 104.12(2) . . ?
Bi6 Bi5 Bi1 97.03(3) . . ?
Bi1 Bi5 Bi11 107.36(3) . . ?
Bi4 Bi5 Bi11 128.42(3) . . ?
Bi4 Bi5 Bi6 107.99(3) . . ?
Bi4 Bi5 Bi1 107.49(3) . . ?
N1 C41 C02U 111(2) . . ?
N1 C41 H41A 109.4 . . ?
N1 C41 H41B 109.4 . . ?
C02U C41 H41A 109.4 . . ?
C02U C41 H41B 109.4 . . ?
H41A C41 H41B 108.0 . . ?
Rh2 Bi3 Rh4 69.86(5) . . ?
Rh2 Bi3 Rh3 73.13(4) . . ?
Rh2 Bi3 Bi4 116.70(4) . . ?
Rh4 Bi3 Rh3 72.46(5) . . ?
Rh4 Bi3 Bi4 58.78(4) . . ?
Rh3 Bi3 Bi4 58.62(4) . . ?
O01Q C40 C14 108(2) . . ?
O01Q C40 H40A 110.1 . . ?
O01Q C40 H40B 110.1 . . ?
C14 C40 H40A 110.1 . . ?
C14 C40 H40B 110.1 . . ?
H40A C40 H40B 108.4 . . ?
Rh4 Bi4 Bi5 60.51(4) . . ?
Rh4 Bi4 Bi3 56.49(4) . . ?
Rh3 Bi4 Rh4 70.49(4) . . ?
Rh3 Bi4 Bi5 60.66(4) . . ?
Rh3 Bi4 Bi3 56.58(4) . . ?
Bi5 Bi4 Bi3 100.56(3) . . ?
O01O C39 C79 104.6(17) . . ?
O01O C39 H39A 110.8 . . ?
O01O C39 H39B 110.8 . . ?
C79 C39 H39A 110.8 . . ?
C79 C39 H39B 110.8 . . ?
H39A C39 H39B 108.9 . . ?
Rh11 Bi18 Rh12 72.38(4) . . ?
Rh11 Bi18 Bi19 58.57(3) . . ?
Rh12 Bi18 Bi19 58.93(4) . . ?
Rh8 Bi18 Rh11 70.27(4) . . ?
Rh8 Bi18 Rh12 71.27(4) . . ?
Rh8 Bi18 Bi19 115.91(4) . . ?
N3 C38 H38A 108.1 . . ?
N3 C38 H38B 108.1 . . ?
C13 C38 N3 117(2) . . ?
C13 C38 H38A 108.1 . . ?
C13 C38 H38B 108.1 . . ?
H38A C38 H38B 107.3 . . ?
Bi20 Bi19 K4 155.00(7) . 1_565 ?
Bi20 Bi19 Bi18 101.13(3) . . ?
Rh11 Bi19 K4 138.49(7) . 1_565 ?
Rh11 Bi19 Bi20 60.69(3) . . ?
Rh11 Bi19 Rh12 70.76(4) . . ?
Rh11 Bi19 Bi18 56.99(3) . . ?
Rh12 Bi19 K4 133.23(7) . 1_565 ?
Rh12 Bi19 Bi20 60.69(3) . . ?
Rh12 Bi19 Bi18 56.93(3) . . ?
Bi18 Bi19 K4 103.66(7) . 1_565 ?
C71 C49 N5 132(7) . . ?
C49 C71 N21 103(5) . . ?
N2 C51 C46 84(6) . . ?
C51 N2 C46 55(6) . . ?
N33 C46 N2 132(5) . . ?
C51 C46 N33 96(6) . . ?
C51 C46 N2 41(3) . . ?
N75 C33 C74 101(7) . . ?
C33 N75 N6 58(5) . . ?
N6 C74 C33 121(6) . . ?
C74 N6 N75 40(3) . . ?
O01Q C55 H55A 110.3 . . ?
O01Q C55 H55B 110.3 . . ?
O01Q C55 C42 107(2) . . ?
H55A C55 H55B 108.6 . . ?
C42 C55 H55A 110.3 . . ?
C42 C55 H55B 110.3 . . ?
N3 C42 C55 117(2) . . ?
N3 C42 H42A 108.1 . . ?
N3 C42 H42B 108.1 . . ?
C55 C42 H42A 108.1 . . ?
C55 C42 H42B 108.1 . . ?
H42A C42 H42B 107.3 . . ?
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
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 O01C 1.47(2) . ?
C15 C23 1.45(3) . ?
N1 K4 3.057(17) . ?
N1 C24 1.47(3) . ?
N1 C43 1.48(3) . ?
N1 C41 1.47(3) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 N025 1.47(2) . ?
C47 C02N 1.50(3) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C52 C60 1.47(4) . ?
C52 O60 1.44(3) . ?
N3 K1 3.003(18) . ?
N3 C63 1.50(4) . ?
N3 C38 1.49(3) . ?
N3 C42 1.45(3) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 O01N 1.40(3) . ?
N4 K3 3.06(2) . ?
N4 C030 1.46(3) . ?
N4 C35 1.44(3) . ?
N4 C53 1.43(3) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 O017 1.43(2) . ?
C65 C02R 1.45(3) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C70 1.50(3) . ?
C66 N025 1.47(2) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 O015 1.41(2) . ?
C69 C02K 1.51(3) . ?
C5 O5 1.15(2) . ?
C5 Rh2 1.83(2) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C70 O017 1.43(2) . ?
K2 O01F 2.826(13) . ?
K2 O01S 2.823(14) . ?
K2 O013 2.830(13) . ?
K2 O6 3.017(13) . ?
K2 O015 2.960(13) . ?
K2 O016 2.894(12) . ?
K2 O017 2.806(12) . ?
K2 N01X 3.029(15) . ?
K2 N025 3.061(16) . ?
K1 O01A 2.901(12) . ?
K1 O01C 2.852(13) . ?
K1 O01N 2.793(15) . ?
K1 O01Q 2.891(14) . ?
K1 O3 2.994(13) . ?
K1 N01I 3.062(15) . ?
K1 O1T 2.768(15) . ?
K1 O60 2.842(18) . ?
K3 O01D 2.786(14) . ?
K3 O01H 2.844(15) . ?
K3 O01O 2.833(14) . ?
K3 O1R 2.845(14) . ?
K3 O1V 2.821(16) . ?
K3 O23 2.818(15) . ?
K3 N024 3.002(16) . ?
K4 O01E 2.859(14) . ?
K4 O01P 2.769(14) . ?
K4 O1U 2.824(15) . ?
K4 O1Y 2.812(14) . ?
K4 O2A 2.877(17) . ?
K4 O20 2.806(14) . ?
K4 N23 3.04(2) . ?
K4 Bi19 4.355(4) 1_545 ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C72 C11 1.53(3) . ?
C72 N01X 1.51(2) . ?
O01A C14 1.44(3) . ?
O01A C48 1.45(2) . ?
O10 C10 1.17(2) . ?
O01C C73 1.45(2) . ?
O01D C02P 1.46(3) . ?
O01D C21 1.44(3) . ?
O01E C19 1.42(2) . ?
O01E C25 1.41(2) . ?
O01F C76 1.40(2) . ?
O01F C62 1.39(3) . ?
O4 C4 1.16(2) . ?
O01H C59 1.47(3) . ?
O01H C78 1.43(3) . ?
O01N C57 1.41(2) . ?
O01O C20 1.45(2) . ?
O01O C39 1.43(2) . ?
O01P C12 1.43(2) . ?
O01P C44 1.41(2) . ?
O01Q C40 1.44(2) . ?
O01Q C55 1.44(3) . ?
O01S C18 1.43(2) . ?
O01S C37 1.42(3) . ?
O3 C3 1.17(2) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 O016 1.40(2) . ?
O1 C1 1.18(2) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C19 1.48(3) . ?
O013 C02R 1.42(2) . ?
O013 C77 1.45(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 O1T 1.41(2) . ?
C13 C38 1.48(3) . ?
O6 C6 1.182(19) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C40 1.46(3) . ?
O015 C02N 1.41(2) . ?
O016 C02K 1.45(2) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 N025 1.48(2) . ?
C16 C76 1.51(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 N01X 1.42(3) . ?
C17 C77 1.50(3) . ?
O8 C8 1.176(19) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C62 1.45(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
O9 C9 1.16(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 O20 1.45(2) . ?
C22 C02W 1.44(3) . ?
N01I C02F 1.46(2) . ?
N01I C02J 1.47(2) . ?
N01I C28 1.48(3) . ?
O1R C67 1.40(3) . ?
O1R C45 1.41(2) . ?
O1T C23 1.39(2) . ?
O1U C02U 1.38(3) . ?
O1U C64 1.39(3) . ?
O1V C26 1.43(3) . ?
O1V C54 1.42(3) . ?
N01X C34 1.47(3) . ?
O1Y C02W 1.43(2) . ?
O1Y C30 1.40(2) . ?
O2A C27 1.46(3) . ?
O2A C61 1.39(3) . ?
O20 C36 1.39(2) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C02P 1.47(3) . ?
O23 C29 1.38(3) . ?
O23 C58 1.44(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
N23 C31 1.46(3) . ?
N23 C56 1.51(3) . ?
N23 C50 1.49(3) . ?
N024 C02X 1.44(2) . ?
N024 C32 1.48(3) . ?
N024 C79 1.46(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.52(3) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C1 Rh3 1.821(19) . ?
C02U H02O 0.9900 . ?
C02U H02P 0.9900 . ?
C02U C41 1.51(3) . ?
C02R H02A 0.9900 . ?
C02R H02B 0.9900 . ?
C02W H02Q 0.9900 . ?
C02W H02R 0.9900 . ?
C02X H02K 0.9900 . ?
C02X H02L 0.9900 . ?
C02X C29 1.56(3) . ?
C02F H02C 0.9900 . ?
C02F H02D 0.9900 . ?
C02F C57 1.48(3) . ?
C02J H02E 0.9900 . ?
C02J H02F 0.9900 . ?
C02J C48 1.47(3) . ?
C02K H02G 0.9900 . ?
C02K H02H 0.9900 . ?
C02P H02M 0.9900 . ?
C02P H02N 0.9900 . ?
C3 Rh5 1.820(19) . ?
C02N H02I 0.9900 . ?
C02N H02J 0.9900 . ?
C9 Rh12 1.79(2) . ?
C4 Rh6 1.77(2) . ?
C8 Rh11 1.833(17) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C53 1.44(3) . ?
C6 Rh9 1.806(17) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C78 1.46(3) . ?
C7 O7 1.15(2) . ?
C7 Rh10 1.812(18) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C64 1.43(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C73 1.47(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C030 H03A 0.9900 . ?
C030 H03B 0.9900 . ?
C030 C67 1.49(3) . ?
Bi14 Bi15 2.9651(10) . ?
Bi14 Bi13 3.0027(10) . ?
Bi14 Rh10 2.8209(14) . ?
Bi14 Rh9 2.8308(16) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.54(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
Bi15 Bi11 3.5160(10) . ?
Bi15 Bi16 3.5044(9) . ?
Bi15 Rh7 2.6849(14) . ?
Bi15 Rh10 2.9521(15) . ?
Bi15 Rh9 2.9106(15) . ?
Bi15 Bi1 3.6724(10) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C59 1.51(4) . ?
Bi13 Rh8 2.7536(16) . ?
Bi13 Rh10 2.7906(14) . ?
Bi13 Rh9 2.7655(15) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
Bi11 Bi12 3.1193(10) . ?
Bi11 Bi20 3.4849(10) . ?
Bi11 Rh12 2.8170(16) . ?
Bi11 Rh7 2.7175(14) . ?
Bi11 Rh9 2.8040(15) . ?
Bi11 Bi5 3.6993(10) . ?
C10 Rh8 1.791(19) . ?
Bi16 Bi20 3.4768(10) . ?
Bi16 Bi17 3.1030(9) . ?
Bi16 Rh11 2.8192(15) . ?
Bi16 Rh7 2.7057(14) . ?
Bi16 Rh10 2.8081(14) . ?
Bi16 Bi10 3.6822(10) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C37 1.46(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C54 1.59(3) . ?
Bi12 Rh12 2.7598(15) . ?
Bi12 Rh8 2.7166(15) . ?
Bi12 Rh9 2.7472(15) . ?
C37 H37 0.9500 . ?
Bi20 Rh11 2.9339(15) . ?
Bi20 Rh12 2.9426(16) . ?
Bi20 Rh7 2.6743(15) . ?
Bi20 Bi19 2.9685(11) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C43 1.51(3) . ?
Bi17 Rh11 2.7462(15) . ?
Bi17 Rh8 2.7005(15) . ?
Bi17 Rh10 2.7596(14) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
Rh1 Rh5 2.7926(18) . ?
Rh1 Rh6 2.805(2) . ?
Rh1 Rh2 2.7651(19) . ?
Rh1 Rh4 2.803(2) . ?
Rh1 Rh3 2.8137(19) . ?
Rh1 Bi10 2.6794(15) . ?
Rh1 Bi6 2.7128(15) . ?
Rh1 Bi1 2.7104(15) . ?
Rh1 Bi5 2.6847(15) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C68 1.47(4) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C68 O60 1.39(3) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
O2 C2 1.13(2) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 C39 1.53(3) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C61 H61 0.9500 . ?
C61 C50 1.45(4) . ?
Rh5 Bi10 2.9230(15) . ?
Rh5 Bi9 2.8262(17) . ?
Rh5 Bi8 2.7864(16) . ?
Rh5 Bi6 2.8189(16) . ?
Rh5 Bi7 2.7680(16) . ?
Rh6 Bi10 2.9456(16) . ?
Rh6 Bi9 2.8265(15) . ?
Rh6 Bi8 2.7772(15) . ?
Rh6 Bi1 2.7980(15) . ?
Rh6 Bi2 2.7543(15) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 C45 1.54(3) . ?
Rh2 Rh4 3.159(2) . ?
Rh2 Bi8 2.7472(18) . ?
Rh2 Bi7 2.7000(16) . ?
Rh2 Bi2 2.7007(16) . ?
Rh2 Bi3 2.7438(18) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
Rh4 C2 1.84(2) . ?
Rh4 Bi6 2.8183(17) . ?
Rh4 Bi7 2.7847(16) . ?
Rh4 Bi5 2.9324(17) . ?
Rh4 Bi3 2.7733(17) . ?
Rh4 Bi4 2.8447(17) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C44 1.48(3) . ?
Rh3 Bi1 2.8057(16) . ?
Rh3 Bi2 2.7447(16) . ?
Rh3 Bi5 2.9361(16) . ?
Rh3 Bi3 2.7749(16) . ?
Rh3 Bi4 2.8382(17) . ?
Rh11 Rh8 3.1835(19) . ?
Rh11 Rh7 2.8109(18) . ?
Rh11 Bi18 2.7853(15) . ?
Rh11 Bi19 2.8341(16) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
Rh12 Rh7 2.8105(19) . ?
Rh12 Bi18 2.7905(16) . ?
Rh12 Bi19 2.8524(15) . ?
C53 H53 0.9500 . ?
Rh8 Rh7 2.7648(18) . ?
Rh8 Bi18 2.7458(16) . ?
Rh7 Rh10 2.7933(19) . ?
Rh7 Rh9 2.7998(18) . ?
C50 H50 0.9500 . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
Bi10 Bi9 2.9662(11) . ?
Bi10 Bi6 3.4991(11) . ?
Bi10 Bi1 3.5150(10) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
Bi9 Bi8 3.0060(11) . ?
Bi6 Bi7 3.0764(10) . ?
Bi6 Bi5 3.4714(10) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
Bi1 Bi2 3.1537(10) . ?
Bi1 Bi5 3.4796(11) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
Bi5 Bi4 2.9716(12) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
Bi3 Bi4 3.0080(12) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
Bi18 Bi19 2.9967(11) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
N33 C46 1.59(9) . ?
N5 C49 1.44(9) . ?
C49 C71 1.38(7) . ?
N21 C71 1.71(7) . ?
C51 N2 1.26(8) . ?
C51 C46 1.56(9) . ?
N2 C46 1.90(9) . ?
C33 N75 1.15(7) . ?
C33 C74 1.59(8) . ?
N75 N6 2.98(2) . ?
C74 N6 1.34(7) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C42 1.53(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C15 O01C C73 C28 167.8(16) . . . . ?
N1 C24 C25 O01E 67(2) . . . . ?
C52 C60 O01N K1 49(2) . . . . ?
C52 C60 O01N C57 -170(2) . . . . ?
N3 C63 C68 O60 69(3) . . . . ?
C60 C52 O60 K1 53(3) . . . . ?
C60 C52 O60 C68 179(2) . . . . ?
C60 O01N C57 C02F 171.8(18) . . . . ?
N4 C030 C67 O1R -65(3) . . . . ?
N4 C35 C54 O1V -64(3) . . . . ?
C66 C70 O017 C65 174.8(15) . . . . ?
C66 C70 O017 K2 -48.3(18) . . . . ?
C69 O015 C02N C47 176.5(17) . . . . ?
C70 C66 N025 C47 75(2) . . . . ?
C70 C66 N025 K2 -45.3(18) . . . . ?
C70 C66 N025 C16 -160.8(17) . . . . ?
K2 O01F C76 C16 -61.9(19) . . . . ?
K2 O01F C62 C18 49(2) . . . . ?
K2 O01S C18 C62 53(2) . . . . ?
K2 O01S C37 C34 -49(2) . . . . ?
K2 O013 C02R C65 50.3(19) . . . . ?
K2 O013 C77 C17 -61(2) . . . . ?
K2 O015 C02N C47 -53(2) . . . . ?
K2 O016 C02K C69 49.2(19) . . . . ?
K2 N01X C34 C37 -47(2) . . . . ?
K1 N3 C63 C68 -35(3) . . . . ?
K1 N3 C38 C13 -49(2) . . . . ?
K1 N3 C42 C55 -43(3) . . . . ?
K1 O01A C14 C40 53(2) . . . . ?
K1 O01A C48 C02J -59.4(19) . . . . ?
K1 O01C C73 C28 -66.6(17) . . . . ?
K1 O01N C57 C02F -47.8(19) . . . . ?
K1 O01Q C40 C14 48(2) . . . . ?
K1 O01Q C55 C42 -50(3) . . . . ?
K1 N01I C02F C57 -46.2(17) . . . . ?
K1 N01I C02J C48 -43(2) . . . . ?
K1 N01I C28 C73 -29(2) . . . . ?
K1 O1T C23 C15 50(2) . . . . ?
K3 N4 C030 C67 42(2) . . . . ?
K3 N4 C35 C54 45(2) . . . . ?
K3 N4 C53 C21 42(3) . . . . ?
K3 O01D C02P C20 -44(2) . . . . ?
K3 O01D C21 C53 54(3) . . . . ?
K3 O01H C59 C32 57(2) . . . . ?
K3 O01H C78 C26 -47(2) . . . . ?
K3 O01O C20 C02P -53(2) . . . . ?
K3 O01O C39 C79 57(2) . . . . ?
K3 O1R C67 C030 51(2) . . . . ?
K3 O1R C45 C58 -57(2) . . . . ?
K3 O1V C26 C78 -50(2) . . . . ?
K3 O1V C54 C35 49(2) . . . . ?
K3 O23 C29 C02X 57(2) . . . . ?
K3 O23 C58 C45 -52(2) . . . . ?
K3 N024 C02X C29 44(3) . . . . ?
K3 N024 C32 C59 42.7(19) . . . . ?
K3 N024 C79 C39 45(2) . . . . ?
K4 N1 C24 C25 -37(2) . . . . ?
K4 N1 C43 C36 -44(2) . . . . ?
K4 N1 C41 C02U -42(2) . . . . ?
K4 O01E C19 C12 46(2) . . . . ?
K4 O01E C25 C24 -62.6(19) . . . . ?
K4 O01P C12 C19 54(2) . . . . ?
K4 O01P C44 C56 -47(3) . . . . ?
K4 O1U C02U C41 -53(2) . . . . ?
K4 O1U C64 C27 57(3) . . . . ?
K4 O1Y C02W C22 48(2) . . . . ?
K4 O1Y C30 C31 -62(2) . . . . ?
K4 O2A C27 C64 44(3) . . . . ?
K4 O2A C61 C50 -55(3) . . . . ?
K4 O20 C36 C43 -46(3) . . . . ?
K4 N23 C31 C30 -35(2) . . . . ?
K4 N23 C56 C44 -48(3) . . . . ?
K4 N23 C50 C61 -34(3) . . . . ?
C72 C11 O016 K2 -58(2) . . . . ?
C72 C11 O016 C02K 169.9(17) . . . . ?
C72 N01X C34 C37 71(2) . . . . ?
O01A C14 C40 O01Q -68(2) . . . . ?
O01C C15 C23 O1T -63(2) . . . . ?
O01D C21 C53 N4 -67(3) . . . . ?
O01O C20 C02P O01D 65(3) . . . . ?
O01P C12 C19 O01E -69(2) . . . . ?
O01Q C55 C42 N3 64(3) . . . . ?
O01S C18 C62 O01F -71(2) . . . . ?
C11 C72 N01X K2 -41(2) . . . . ?
C11 C72 N01X C17 82(2) . . . . ?
C11 C72 N01X C34 -156(2) . . . . ?
C11 O016 C02K C69 -177.8(17) . . . . ?
C12 O01P C44 C56 177(2) . . . . ?
C13 O1T C23 C15 -163.6(18) . . . . ?
C14 O01A C48 C02J 172.3(18) . . . . ?
O015 C69 C02K O016 -69(2) . . . . ?
O017 C65 C02R O013 -66(2) . . . . ?
C17 N01X C34 C37 -168.7(19) . . . . ?
C18 O01S C37 C34 178.6(19) . . . . ?
C19 O01E C25 C24 169.1(17) . . . . ?
C22 O20 C36 C43 174(2) . . . . ?
N01I C02F C57 O01N 65(2) . . . . ?
N01I C02J C48 O01A 71(2) . . . . ?
N01I C28 C73 O01C 66(3) . . . . ?
O1T C13 C38 N3 62(3) . . . . ?
O1U C02U C41 N1 66(3) . . . . ?
O1V C26 C78 O01H 65(3) . . . . ?
N01X C72 C11 O016 67(3) . . . . ?
N01X C17 C77 O013 65(3) . . . . ?
N01X C34 C37 O01S 68(3) . . . . ?
O1Y C30 C31 N23 65(3) . . . . ?
O2A C27 C64 O1U -69(3) . . . . ?
O2A C61 C50 N23 62(3) . . . . ?
O20 C22 C02W O1Y -67(2) . . . . ?
O20 C36 C43 N1 62(3) . . . . ?
C20 O01O C39 C79 -176.4(18) . . . . ?
O23 C58 C45 O1R 74(2) . . . . ?
C23 C15 O01C K1 43(2) . . . . ?
C23 C15 O01C C73 167.4(18) . . . . ?
N23 C56 C44 O01P 67(3) . . . . ?
N024 C02X C29 O23 -70(3) . . . . ?
N024 C32 C59 O01H -67(2) . . . . ?
N024 C79 C39 O01O -70(2) . . . . ?
C24 N1 C43 C36 -166.7(19) . . . . ?
C24 N1 C41 C02U 79(2) . . . . ?
N025 C47 C02N O015 66(2) . . . . ?
N025 C66 C70 O017 65(2) . . . . ?
N025 C16 C76 O01F 66(2) . . . . ?
C76 O01F C62 C18 177.4(19) . . . . ?
C76 C16 N025 C47 -152.7(18) . . . . ?
C76 C16 N025 C66 82(2) . . . . ?
C76 C16 N025 K2 -33(2) . . . . ?
C02U O1U C64 C27 -169(2) . . . . ?
C02R C65 O017 C70 -174.1(16) . . . . ?
C02R C65 O017 K2 47.5(18) . . . . ?
C02R O013 C77 C17 171.8(18) . . . . ?
C02W C22 O20 K4 51(2) . . . . ?
C02W C22 O20 C36 -166(2) . . . . ?
C02W O1Y C30 C31 167.2(17) . . . . ?
C02X N024 C32 C59 -78(2) . . . . ?
C02X N024 C79 C39 165.8(18) . . . . ?
C02F N01I C02J C48 -158.6(18) . . . . ?
C02F N01I C28 C73 86(2) . . . . ?
C02J N01I C02F C57 72(2) . . . . ?
C02J N01I C28 C73 -150(2) . . . . ?
C02K C69 O015 K2 53.4(19) . . . . ?
C02K C69 O015 C02N -174.9(17) . . . . ?
C02P O01D C21 C53 -168(2) . . . . ?
C02N C47 N025 C66 -159.7(18) . . . . ?
C02N C47 N025 K2 -42(2) . . . . ?
C02N C47 N025 C16 76(2) . . . . ?
C21 O01D C02P C20 178(2) . . . . ?
C26 O1V C54 C35 -176.1(19) . . . . ?
C27 O2A C61 C50 170(2) . . . . ?
C28 N01I C02F C57 -163.3(16) . . . . ?
C28 N01I C02J C48 78(2) . . . . ?
C29 O23 C58 C45 177(2) . . . . ?
C030 N4 C35 C54 161(2) . . . . ?
C030 N4 C53 C21 -74(3) . . . . ?
C30 O1Y C02W C22 -180(2) . . . . ?
C31 N23 C56 C44 -165(2) . . . . ?
C31 N23 C50 C61 86(3) . . . . ?
C32 N024 C02X C29 167(2) . . . . ?
C32 N024 C79 C39 -76(2) . . . . ?
C77 O013 C02R C65 177.4(17) . . . . ?
C77 C17 N01X K2 -34(2) . . . . ?
C77 C17 N01X C72 -156.5(18) . . . . ?
C77 C17 N01X C34 83(2) . . . . ?
C35 N4 C030 C67 -76(3) . . . . ?
C35 N4 C53 C21 163(2) . . . . ?
C37 O01S C18 C62 -172(2) . . . . ?
C59 O01H C78 C26 -179.9(18) . . . . ?
C67 O1R C45 C58 171.2(19) . . . . ?
C64 O1U C02U C41 175(2) . . . . ?
C63 N3 C38 C13 -168(2) . . . . ?
C63 N3 C42 C55 78(3) . . . . ?
C63 C68 O60 C52 171(2) . . . . ?
C63 C68 O60 K1 -63(3) . . . . ?
C79 N024 C02X C29 -76(3) . . . . ?
C79 N024 C32 C59 161.5(17) . . . . ?
C62 O01F C76 C16 170.0(18) . . . . ?
C61 O2A C27 C64 180(2) . . . . ?
O60 C52 C60 O01N -68(3) . . . . ?
C58 O23 C29 C02X -173(2) . . . . ?
C56 N23 C31 C30 79(3) . . . . ?
C56 N23 C50 C61 -151(2) . . . . ?
C54 O1V C26 C78 173(2) . . . . ?
C53 N4 C030 C67 159(2) . . . . ?
C53 N4 C35 C54 -75(3) . . . . ?
C50 N23 C31 C30 -155(2) . . . . ?
C50 N23 C56 C44 73(3) . . . . ?
C78 O01H C59 C32 -170.1(18) . . . . ?
C48 O01A C14 C40 -178.6(19) . . . . ?
C45 O1R C67 C030 179.0(19) . . . . ?
C44 O01P C12 C19 -168(2) . . . . ?
C43 N1 C24 C25 84(2) . . . . ?
C43 N1 C41 C02U -161(2) . . . . ?
C25 O01E C19 C12 176.2(19) . . . . ?
C41 N1 C24 C25 -155.9(19) . . . . ?
C41 N1 C43 C36 75(2) . . . . ?
C40 O01Q C55 C42 175(2) . . . . ?
C39 O01O C20 C02P 178(2) . . . . ?
C38 N3 C63 C68 80(3) . . . . ?
C38 N3 C42 C55 -157(2) . . . . ?
C38 C13 O1T K1 -39(2) . . . . ?
C38 C13 O1T C23 176.8(19) . . . . ?
N5 C49 C71 N21 26(11) . . . . ?
C51 N2 C46 N33 -37(7) . . . . ?
N2 C51 C46 N33 153(5) . . . . ?
C33 C74 N6 N75 36(4) . . . . ?
N75 C33 C74 N6 -90(8) . . . . ?
C74 C33 N75 N6 27(3) . . . . ?
C55 O01Q C40 C14 -176(2) . . . . ?
C42 N3 C63 C68 -156(2) . . . . ?
C42 N3 C38 C13 69(3) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.071 0.417 0.202 178.6 5.5 ?
2 0.071 0.583 0.798 178.6 0.0 ?
3 0.403 0.825 0.491 33.1 0.0 ?
4 0.597 0.175 0.509 33.1 1.5 ?
