#------------------------------------------------------------------------------
#$Date: 2023-03-04 20:30:01 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281502 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/22/7062234.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_7062234
loop_
_publ_author_name
'Liang, Zhibing'
'Lin, Lifang'
'Liang, Yuanwei'
'Wang, Yi'
_publ_section_title
;
 Capture of [Bi4]6− and [Bi3]5− anions by [Rh(L)]+ (L = COD)
 cations in the closo heteroatomic clusters {Bi4[Rh(L)]4}2− and
 {Bi3[Rh(L)]3}2−
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3993
_journal_page_last               3998
_journal_paper_doi               10.1039/D2NJ05883A
_journal_volume                  47
_journal_year                    2023
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C28 H64 K2 N4 O12, C32 H48 Bi4 Rh4, 2(C7 H8)'
_chemical_formula_sum            'C37 H64 Bi2 K N2 O6 Rh2'
_chemical_formula_weight         1295.78
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL-2015 & ZCIF'
_audit_update_record
;
2022-11-20 deposited with the CCDC.	2023-01-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.0637(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.6378(7)
_cell_length_b                   17.7192(9)
_cell_length_c                   17.8331(9)
_cell_measurement_reflns_used    9721
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      2.2
_cell_volume                     4306.6(4)
_computing_cell_refinement       'Apex2, Saint'
_computing_data_collection       'Apex2 (Bruker, 2010)'
_computing_data_reduction        'Apex2, Saint'
_computing_molecular_graphics    'Olex2 (Dolomanov, 2009)'
_computing_publication_material  'Apex2, SHELXL-2015, Platon (Spek, 2015)'
_computing_structure_refinement  'ShelXL-2015 (Sheldrick, 2015c)'
_computing_structure_solution    'ShelXT-2014 (Sheldrick, 2015a)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Smart Apex II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_measurement_specimen_support 'MiTeGen loop'
_diffrn_orient_matrix_type       standard
_diffrn_orient_matrix_UB_11      -0.0339273
_diffrn_orient_matrix_UB_12      -0.0381894
_diffrn_orient_matrix_UB_13      -0.0330913
_diffrn_orient_matrix_UB_21      -0.0541758
_diffrn_orient_matrix_UB_22      -0.0036399
_diffrn_orient_matrix_UB_23      0.0361529
_diffrn_orient_matrix_UB_31      -0.0360239
_diffrn_orient_matrix_UB_32      0.0413922
_diffrn_orient_matrix_UB_33      -0.0273209
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0650
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            43747
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.998
_diffrn_reflns_theta_min         1.848
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    9.040
_exptl_absorpt_correction_T_max  0.196
_exptl_absorpt_correction_T_min  0.108
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Krause et al, 2015)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.999
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2492
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.132
_refine_diff_density_min         -1.139
_refine_diff_density_rms         0.143
_refine_ls_abs_structure_details
;
Flack x (Flack, 1983) determined using 8011 quotients 
[(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.017(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1110
_refine_ls_number_reflns         24120
_refine_ls_number_restraints     1130
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0140P)²+3.8820P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0682
_reflns_Friedel_coverage         0.875
_reflns_Friedel_fraction_full    0.963
_reflns_Friedel_fraction_max     0.925
_reflns_number_gt                19963
_reflns_number_total             24120
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2nj05883a2.cif
_cod_data_source_block           GDOU01
_cod_depositor_comments
'Adding full bibliography for 7062234--7062235.cif.'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7062234
_shelx_shelxl_version_number     2017/1
_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.
;
_shelx_estimated_absorpt_t_min   0.126
_shelx_estimated_absorpt_t_max   0.293
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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
Bi1 Bi 0.53357(2) 0.31162(2) 0.65454(2) 0.02595(7) Uani 1 1 d . . . . .
Bi2 Bi 0.57464(3) 0.16838(2) 0.81306(2) 0.02789(8) Uani 1 1 d . . . . .
Bi3 Bi 0.43175(2) 0.30871(2) 0.81771(2) 0.02436(7) Uani 1 1 d . . . . .
Bi4 Bi 0.42734(3) 0.15356(2) 0.66797(2) 0.03007(8) Uani 1 1 d . . . . .
Rh1 Rh 0.63813(5) 0.18011(4) 0.67086(4) 0.02811(16) Uani 1 1 d . . . . .
Rh2 Rh 0.64119(5) 0.31087(4) 0.78470(4) 0.02622(14) Uani 1 1 d . . . . .
Rh3 Rh 0.35784(5) 0.16578(4) 0.80781(4) 0.02896(15) Uani 1 1 d . . . . .
Rh4 Rh 0.32821(5) 0.28653(4) 0.68637(4) 0.02539(15) Uani 1 1 d . . . . .
C11 C 0.7078(7) 0.0694(5) 0.6763(6) 0.036(2) Uani 1 1 d . . . . .
H11 H 0.680584 0.034188 0.714110 0.043 Uiso 1 1 calc R U . . .
C12 C 0.7186(9) 0.0356(6) 0.5987(6) 0.049(3) Uani 1 1 d . . . . .
H12A H 0.788925 0.035365 0.586808 0.058 Uiso 1 1 calc R U . . .
H12B H 0.695864 -0.017434 0.599336 0.058 Uiso 1 1 calc R U . . .
C13 C 0.6621(10) 0.0774(6) 0.5379(7) 0.059(3) Uani 1 1 d . . . . .
H13A H 0.695581 0.070469 0.490034 0.071 Uiso 1 1 calc R U . . .
H13B H 0.595914 0.054726 0.531832 0.071 Uiso 1 1 calc R U . . .
C14 C 0.6513(8) 0.1603(6) 0.5524(5) 0.045(3) Uani 1 1 d . . . . .
H14 H 0.599029 0.185144 0.520336 0.054 Uiso 1 1 calc R U . . .
C15 C 0.7276(8) 0.2089(6) 0.5759(6) 0.045(3) Uani 1 1 d . . . . .
H15 H 0.719813 0.262032 0.557844 0.054 Uiso 1 1 calc R U . . .
C16 C 0.8340(8) 0.1826(6) 0.5858(7) 0.052(3) Uani 1 1 d . . . . .
H16A H 0.878123 0.224974 0.573810 0.063 Uiso 1 1 calc R U . . .
H16B H 0.845856 0.141332 0.549812 0.063 Uiso 1 1 calc R U . . .
C17 C 0.8598(8) 0.1542(6) 0.6670(6) 0.048(3) Uani 1 1 d . . . . .
H17A H 0.909668 0.113763 0.664598 0.057 Uiso 1 1 calc R U . . .
H17B H 0.888989 0.196326 0.696658 0.057 Uiso 1 1 calc R U . . .
C18 C 0.7728(7) 0.1246(5) 0.7063(6) 0.039(2) Uani 1 1 d . . . . .
H18 H 0.782928 0.121543 0.762076 0.046 Uiso 1 1 calc R U . . .
C21 C 0.7000(7) 0.3274(5) 0.8980(5) 0.033(2) Uani 1 1 d . . . . .
H21 H 0.668495 0.295182 0.936359 0.040 Uiso 1 1 calc R U . . .
C22 C 0.7008(8) 0.4102(5) 0.9165(6) 0.042(3) Uani 1 1 d . . . . .
H22A H 0.749984 0.419497 0.957652 0.050 Uiso 1 1 calc R U . . .
H22B H 0.635709 0.424625 0.934800 0.050 Uiso 1 1 calc R U . . .
C23 C 0.7244(8) 0.4602(5) 0.8499(6) 0.039(2) Uani 1 1 d . . . . .
H23A H 0.695817 0.510870 0.857417 0.047 Uiso 1 1 calc R U . . .
H23B H 0.796486 0.466090 0.848008 0.047 Uiso 1 1 calc R U . . .
C24 C 0.6857(7) 0.4288(5) 0.7760(6) 0.033(2) Uani 1 1 d . . . . .
H24 H 0.636812 0.461838 0.748817 0.040 Uiso 1 1 calc R U . . .
C25 C 0.7420(7) 0.3838(5) 0.7291(6) 0.040(2) Uani 1 1 d . . . . .
H25 H 0.726517 0.390956 0.674352 0.048 Uiso 1 1 calc R U . . .
C26 C 0.8460(8) 0.3588(6) 0.7473(7) 0.052(3) Uani 1 1 d . . . . .
H26A H 0.890350 0.402522 0.741768 0.063 Uiso 1 1 calc R U . . .
H26B H 0.864587 0.320146 0.710299 0.063 Uiso 1 1 calc R U . . .
C27 C 0.8615(7) 0.3262(6) 0.8262(7) 0.052(3) Uani 1 1 d . . . . .
H27A H 0.914394 0.287990 0.825518 0.062 Uiso 1 1 calc R U . . .
H27B H 0.883574 0.367164 0.860645 0.062 Uiso 1 1 calc R U . . .
C28 C 0.7699(7) 0.2899(5) 0.8568(5) 0.036(2) Uani 1 1 d . . . . .
H28 H 0.778792 0.235701 0.871014 0.043 Uiso 1 1 calc R U . . .
C31 C 0.3200(9) 0.1567(6) 0.9258(6) 0.052(3) Uani 1 1 d . . . . .
H31 H 0.364571 0.185038 0.961591 0.062 Uiso 1 1 calc R U . . .
C32 C 0.2991(12) 0.0751(7) 0.9487(8) 0.074(4) Uani 1 1 d . . . . .
H32A H 0.336725 0.063516 0.995832 0.089 Uiso 1 1 calc R U . . .
H32B H 0.228508 0.069972 0.958719 0.089 Uiso 1 1 calc R U . . .
C33 C 0.3255(10) 0.0189(6) 0.8901(7) 0.056(3) Uani 1 1 d . . . . .
H33A H 0.281186 -0.025043 0.893990 0.067 Uiso 1 1 calc R U . . .
H33B H 0.393059 0.000953 0.901836 0.067 Uiso 1 1 calc R U . . .
C34 C 0.3206(8) 0.0462(5) 0.8097(7) 0.044(3) Uani 1 1 d . . . . .
H34 H 0.357303 0.014299 0.773876 0.053 Uiso 1 1 calc R U . . .
C35 C 0.2404(7) 0.0868(5) 0.7767(6) 0.039(2) Uani 1 1 d . . . . .
H35 H 0.231169 0.078943 0.721350 0.047 Uiso 1 1 calc R U . . .
C36 C 0.1463(8) 0.1042(6) 0.8158(7) 0.049(3) Uani 1 1 d . . . . .
H36A H 0.091765 0.106948 0.777771 0.058 Uiso 1 1 calc R U . . .
H36B H 0.132081 0.062183 0.850351 0.058 Uiso 1 1 calc R U . . .
C37 C 0.1497(9) 0.1760(7) 0.8592(8) 0.064(4) Uani 1 1 d . . . . .
H37A H 0.107189 0.170513 0.902760 0.077 Uiso 1 1 calc R U . . .
H37B H 0.121353 0.216625 0.827026 0.077 Uiso 1 1 calc R U . . .
C38 C 0.2506(8) 0.2008(6) 0.8878(6) 0.044(3) Uani 1 1 d . . . . .
H38 H 0.254560 0.255581 0.901062 0.052 Uiso 1 1 calc R U . . .
C41 C 0.2593(7) 0.3968(5) 0.7023(5) 0.032(2) Uani 1 1 d . . . . .
H41 H 0.289708 0.427764 0.743835 0.038 Uiso 1 1 calc R U . . .
C42 C 0.2481(9) 0.4365(6) 0.6288(6) 0.047(3) Uani 1 1 d . . . . .
H42A H 0.308622 0.465586 0.620083 0.056 Uiso 1 1 calc R U . . .
H42B H 0.193158 0.472865 0.631156 0.056 Uiso 1 1 calc R U . . .
C43 C 0.2285(9) 0.3830(6) 0.5626(6) 0.047(3) Uani 1 1 d . . . . .
H43A H 0.255804 0.405533 0.517025 0.057 Uiso 1 1 calc R U . . .
H43B H 0.156714 0.378013 0.553700 0.057 Uiso 1 1 calc R U . . .
C44 C 0.2726(7) 0.3042(7) 0.5742(5) 0.046(3) Uani 1 1 d . . . . .
H44 H 0.319950 0.289782 0.535179 0.055 Uiso 1 1 calc R U . . .
C45 C 0.2225(8) 0.2439(6) 0.6024(6) 0.044(3) Uani 1 1 d . . . . .
H45 H 0.240429 0.194125 0.580343 0.053 Uiso 1 1 calc R U . . .
C46 C 0.1207(8) 0.2469(6) 0.6323(7) 0.048(3) Uani 1 1 d . . . . .
H46A H 0.108756 0.200112 0.660856 0.058 Uiso 1 1 calc R U . . .
H46B H 0.072447 0.248640 0.589512 0.058 Uiso 1 1 calc R U . . .
C47 C 0.1044(7) 0.3148(7) 0.6830(5) 0.040(2) Uani 1 1 d . . . . .
H47A H 0.079780 0.357637 0.652015 0.048 Uiso 1 1 calc R U . . .
H47B H 0.053482 0.302108 0.719130 0.048 Uiso 1 1 calc R U . . .
C48 C 0.1969(7) 0.3389(5) 0.7259(5) 0.034(2) Uani 1 1 d . . . . .
H48 H 0.191341 0.336327 0.781634 0.041 Uiso 1 1 calc R U . . .
K1A K 0.50810(18) 0.73184(12) 0.76630(12) 0.0395(5) Uani 1 1 d . . . . .
O1A O 0.5517(6) 0.8502(4) 0.6686(4) 0.052(2) Uani 1 1 d D . . . .
C2A C 0.5207(10) 0.8332(6) 0.5940(6) 0.063(4) Uani 1 1 d D . . . .
H2A1 H 0.543355 0.873042 0.559798 0.076 Uiso 1 1 calc R U . . .
H2A2 H 0.448107 0.831392 0.590036 0.076 Uiso 1 1 calc R U . . .
C3A C 0.5623(9) 0.7580(6) 0.5716(6) 0.056(3) Uani 1 1 d D . . . .
H3A1 H 0.548443 0.748730 0.517499 0.067 Uiso 1 1 calc R U . . .
H3A2 H 0.634281 0.757462 0.580999 0.067 Uiso 1 1 calc R U . . .
O4A O 0.5172(5) 0.7013(4) 0.6153(3) 0.0433(18) Uani 1 1 d D . . . .
C5A C 0.5562(9) 0.6286(6) 0.6010(6) 0.056(3) Uani 1 1 d D . . . .
H5A1 H 0.625151 0.625938 0.620093 0.067 Uiso 1 1 calc R U . . .
H5A2 H 0.554944 0.619116 0.546253 0.067 Uiso 1 1 calc R U . . .
C6A C 0.4974(11) 0.5715(6) 0.6382(6) 0.063(4) Uani 1 1 d D . . . .
H6A1 H 0.427524 0.576797 0.622035 0.076 Uiso 1 1 calc R U . . .
H6A2 H 0.519655 0.520429 0.624199 0.076 Uiso 1 1 calc R U . . .
O7A O 0.5078(5) 0.5811(4) 0.7174(4) 0.0411(17) Uani 1 1 d D . . . .
C8A C 0.4424(8) 0.5340(5) 0.7559(6) 0.043(3) Uani 1 1 d D . . . .
H8A1 H 0.451847 0.480893 0.740478 0.051 Uiso 1 1 calc R U . . .
H8A2 H 0.373939 0.548515 0.742523 0.051 Uiso 1 1 calc R U . . .
C9A C 0.4597(9) 0.5407(5) 0.8378(6) 0.048(3) Uani 1 1 d D . . . .
H9A1 H 0.416364 0.505324 0.863990 0.057 Uiso 1 1 calc R U . . .
H9A2 H 0.528648 0.527523 0.851351 0.057 Uiso 1 1 calc R U . . .
O10A O 0.4398(5) 0.6169(3) 0.8603(4) 0.0378(16) Uani 1 1 d D . . . .
C11A C 0.4639(9) 0.6279(5) 0.9384(5) 0.049(3) Uani 1 1 d D . . . .
H11A H 0.534869 0.618766 0.948235 0.059 Uiso 1 1 calc R U . . .
H11B H 0.426841 0.591665 0.968746 0.059 Uiso 1 1 calc R U . . .
C12A C 0.4393(8) 0.7055(5) 0.9599(6) 0.048(3) Uani 1 1 d D . . . .
H12C H 0.369466 0.715881 0.946575 0.057 Uiso 1 1 calc R U . . .
H12D H 0.449326 0.711861 1.014757 0.057 Uiso 1 1 calc R U . . .
O13A O 0.5013(5) 0.7578(3) 0.9209(4) 0.0394(17) Uani 1 1 d D . . . .
C14A C 0.4868(8) 0.8338(5) 0.9430(6) 0.049(3) Uani 1 1 d D . . . .
H14A H 0.507579 0.840310 0.996373 0.059 Uiso 1 1 calc R U . . .
H14B H 0.416417 0.847015 0.937298 0.059 Uiso 1 1 calc R U . . .
C15A C 0.5460(9) 0.8845(5) 0.8949(6) 0.052(3) Uani 1 1 d D . . . .
H15A H 0.542786 0.937101 0.913458 0.062 Uiso 1 1 calc R U . . .
H15B H 0.615501 0.868352 0.896755 0.062 Uiso 1 1 calc R U . . .
O16A O 0.5075(6) 0.8806(3) 0.8208(4) 0.0457(19) Uani 1 1 d D . . . .
C17A C 0.5540(10) 0.9327(5) 0.7720(6) 0.057(3) Uani 1 1 d D . . . .
H17C H 0.625888 0.924978 0.775069 0.068 Uiso 1 1 calc R U . . .
H17D H 0.540204 0.985048 0.788044 0.068 Uiso 1 1 calc R U . . .
C18A C 0.5171(9) 0.9215(5) 0.6942(6) 0.056(3) Uani 1 1 d D . . . .
H18C H 0.444498 0.922391 0.692025 0.067 Uiso 1 1 calc R U . . .
H18D H 0.541049 0.962451 0.661851 0.067 Uiso 1 1 calc R U . . .
K1B K 1.0203(2) 0.72713(14) 0.75702(15) 0.0512(6) Uani 1 1 d . . . . .
O1B O 1.1451(18) 0.7508(9) 0.8891(11) 0.052(3) Uani 0.457(18) 1 d D U P A 1
C2B C 1.117(2) 0.8130(13) 0.9343(12) 0.056(4) Uani 0.457(18) 1 d D U P A 1
H2B1 H 1.169566 0.823546 0.972946 0.067 Uiso 0.457(18) 1 calc R U P A 1
H2B2 H 1.056163 0.801093 0.959937 0.067 Uiso 0.457(18) 1 calc R U P A 1
C3B C 1.1021(19) 0.8811(11) 0.8840(16) 0.057(4) Uani 0.457(18) 1 d D U P A 1
H3B1 H 1.093978 0.927218 0.914490 0.068 Uiso 0.457(18) 1 calc R U P A 1
H3B2 H 1.159125 0.888165 0.851892 0.068 Uiso 0.457(18) 1 calc R U P A 1
O4B O 1.0153(18) 0.8668(8) 0.8389(12) 0.057(3) Uani 0.457(18) 1 d D U P A 1
C5B C 0.989(2) 0.9308(10) 0.7940(16) 0.059(4) Uani 0.457(18) 1 d D U P A 1
H5B1 H 1.042786 0.942998 0.760116 0.071 Uiso 0.457(18) 1 calc R U P A 1
H5B2 H 0.978469 0.975090 0.826646 0.071 Uiso 0.457(18) 1 calc R U P A 1
C6B C 0.8989(19) 0.9139(13) 0.7498(15) 0.057(4) Uani 0.457(18) 1 d D U P A 1
H6B1 H 0.845567 0.901140 0.783815 0.069 Uiso 0.457(18) 1 calc R U P A 1
H6B2 H 0.878475 0.958791 0.720106 0.069 Uiso 0.457(18) 1 calc R U P A 1
O7B O 0.9155(17) 0.8523(9) 0.7010(11) 0.057(3) Uani 0.457(18) 1 d D U P A 1
C8B C 0.8367(19) 0.8349(14) 0.6512(15) 0.061(4) Uani 0.457(18) 1 d D U P A 1
H8B1 H 0.818617 0.879952 0.620947 0.073 Uiso 0.457(18) 1 calc R U P A 1
H8B2 H 0.779091 0.819757 0.679845 0.073 Uiso 0.457(18) 1 calc R U P A 1
C9B C 0.865(2) 0.7730(13) 0.6014(11) 0.057(3) Uani 0.457(18) 1 d D U P A 1
H9B1 H 0.812597 0.765183 0.561941 0.069 Uiso 0.457(18) 1 calc R U P A 1
H9B2 H 0.926279 0.785767 0.576717 0.069 Uiso 0.457(18) 1 calc R U P A 1
O10B O 0.8776(17) 0.7055(10) 0.6453(10) 0.057(3) Uani 0.457(18) 1 d D U P A 1
C11B C 0.898(2) 0.6413(13) 0.5990(12) 0.058(4) Uani 0.457(18) 1 d D U P A 1
H11C H 0.955567 0.651350 0.568787 0.070 Uiso 0.457(18) 1 calc R U P A 1
H11D H 0.840732 0.631213 0.564317 0.070 Uiso 0.457(18) 1 calc R U P A 1
C12B C 0.9161(19) 0.5754(12) 0.6479(16) 0.055(3) Uani 0.457(18) 1 d D U P A 1
H12E H 0.860540 0.568269 0.681435 0.066 Uiso 0.457(18) 1 calc R U P A 1
H12F H 0.922391 0.529380 0.617023 0.066 Uiso 0.457(18) 1 calc R U P A 1
O13B O 1.0060(17) 0.5879(9) 0.6923(11) 0.052(3) Uani 0.457(18) 1 d D U P A 1
C14B C 1.031(2) 0.5252(11) 0.7389(15) 0.051(3) Uani 0.457(18) 1 d D U P A 1
H14C H 1.040985 0.479889 0.707583 0.061 Uiso 0.457(18) 1 calc R U P A 1
H14D H 0.976749 0.514548 0.772875 0.061 Uiso 0.457(18) 1 calc R U P A 1
C15B C 1.123(2) 0.5425(13) 0.7840(15) 0.047(3) Uani 0.457(18) 1 d D U P A 1
H15C H 1.143470 0.497720 0.813888 0.057 Uiso 0.457(18) 1 calc R U P A 1
H15D H 1.176265 0.555641 0.750262 0.057 Uiso 0.457(18) 1 calc R U P A 1
O16B O 1.104(2) 0.6034(9) 0.8321(13) 0.045(3) Uani 0.457(18) 1 d D U P A 1
C17B C 1.183(2) 0.6202(13) 0.8840(15) 0.044(3) Uani 0.457(18) 1 d D U P A 1
H17E H 1.242356 0.633404 0.856307 0.053 Uiso 0.457(18) 1 calc R U P A 1
H17F H 1.198379 0.575164 0.915145 0.053 Uiso 0.457(18) 1 calc R U P A 1
C18B C 1.156(2) 0.6833(12) 0.9322(12) 0.047(4) Uani 0.457(18) 1 d D U P A 1
H18E H 1.094253 0.671608 0.956788 0.056 Uiso 0.457(18) 1 calc R U P A 1
H18F H 1.208170 0.690616 0.971950 0.056 Uiso 0.457(18) 1 calc R U P A 1
O21B O 1.1446(15) 0.7689(8) 0.8808(10) 0.051(3) Uani 0.543(18) 1 d D U P A 2
C22B C 1.1185(19) 0.8381(10) 0.9151(11) 0.055(3) Uani 0.543(18) 1 d D U P A 2
H22C H 1.173479 0.856001 0.948218 0.067 Uiso 0.543(18) 1 calc R U P A 2
H22D H 1.060637 0.830311 0.946120 0.067 Uiso 0.543(18) 1 calc R U P A 2
C23B C 1.0952(17) 0.8964(10) 0.8553(14) 0.059(4) Uani 0.543(18) 1 d D U P A 2
H23C H 1.084124 0.946229 0.878587 0.071 Uiso 0.543(18) 1 calc R U P A 2
H23D H 1.150281 0.900846 0.820958 0.071 Uiso 0.543(18) 1 calc R U P A 2
O24B O 1.0081(15) 0.8716(7) 0.8150(10) 0.058(3) Uani 0.543(18) 1 d D U P A 2
C25B C 0.9757(18) 0.9275(10) 0.7621(14) 0.059(3) Uani 0.543(18) 1 d D U P A 2
H25A H 1.027540 0.937214 0.725841 0.071 Uiso 0.543(18) 1 calc R U P A 2
H25B H 0.961688 0.975286 0.788349 0.071 Uiso 0.543(18) 1 calc R U P A 2
C26B C 0.8866(16) 0.9002(11) 0.7223(14) 0.060(3) Uani 0.543(18) 1 d D U P A 2
H26C H 0.835505 0.889140 0.758813 0.072 Uiso 0.543(18) 1 calc R U P A 2
H26D H 0.861011 0.939632 0.687475 0.072 Uiso 0.543(18) 1 calc R U P A 2
O27B O 0.9079(14) 0.8338(8) 0.6814(10) 0.057(3) Uani 0.543(18) 1 d D U P A 2
C28B C 0.8294(15) 0.8064(12) 0.6360(13) 0.061(3) Uani 0.543(18) 1 d D U P A 2
H28A H 0.807561 0.845845 0.599809 0.073 Uiso 0.543(18) 1 calc R U P A 2
H28B H 0.773549 0.793703 0.667610 0.073 Uiso 0.543(18) 1 calc R U P A 2
C29B C 0.860(2) 0.7389(12) 0.5951(10) 0.060(4) Uani 0.543(18) 1 d D U P A 2
H29A H 0.807113 0.723086 0.559035 0.072 Uiso 0.543(18) 1 calc R U P A 2
H29B H 0.919232 0.750331 0.566666 0.072 Uiso 0.543(18) 1 calc R U P A 2
O30B O 0.8810(14) 0.6791(9) 0.6478(9) 0.056(3) Uani 0.543(18) 1 d D U P A 2
C31B C 0.9079(19) 0.6107(11) 0.6113(11) 0.057(3) Uani 0.543(18) 1 d D U P A 2
H31A H 0.965851 0.619769 0.580587 0.068 Uiso 0.543(18) 1 calc R U P A 2
H31B H 0.853242 0.593513 0.577473 0.068 Uiso 0.543(18) 1 calc R U P A 2
C32B C 0.9311(17) 0.5519(11) 0.6678(13) 0.054(3) Uani 0.543(18) 1 d D U P A 2
H32C H 0.875949 0.546234 0.701930 0.065 Uiso 0.543(18) 1 calc R U P A 2
H32D H 0.941738 0.502849 0.642725 0.065 Uiso 0.543(18) 1 calc R U P A 2
O33B O 1.0191(15) 0.5744(7) 0.7098(10) 0.050(3) Uani 0.543(18) 1 d D U P A 2
C34B C 1.0496(17) 0.5199(9) 0.7648(12) 0.045(3) Uani 0.543(18) 1 d D U P A 2
H34A H 1.064575 0.471385 0.740120 0.055 Uiso 0.543(18) 1 calc R U P A 2
H34B H 0.996398 0.511092 0.800126 0.055 Uiso 0.543(18) 1 calc R U P A 2
C35B C 1.1392(16) 0.5488(11) 0.8066(13) 0.045(3) Uani 0.543(18) 1 d D U P A 2
H35A H 1.165342 0.509645 0.841602 0.054 Uiso 0.543(18) 1 calc R U P A 2
H35B H 1.190709 0.561446 0.770997 0.054 Uiso 0.543(18) 1 calc R U P A 2
O36B O 1.1128(16) 0.6134(7) 0.8468(10) 0.042(3) Uani 0.543(18) 1 d D U P A 2
C37B C 1.1886(17) 0.6400(11) 0.8974(13) 0.044(3) Uani 0.543(18) 1 d D U P A 2
H37C H 1.248656 0.650068 0.869428 0.053 Uiso 0.543(18) 1 calc R U P A 2
H37D H 1.204189 0.600820 0.935505 0.053 Uiso 0.543(18) 1 calc R U P A 2
C38B C 1.158(2) 0.7093(11) 0.9346(10) 0.048(3) Uani 0.543(18) 1 d D U P A 2
H38A H 1.095273 0.700244 0.959877 0.058 Uiso 0.543(18) 1 calc R U P A 2
H38B H 1.207903 0.724236 0.973294 0.058 Uiso 0.543(18) 1 calc R U P A 2
N31A N 0.3149(15) 0.8062(14) 0.7562(11) 0.084(4) Uani 0.728(12) 1 d D U P B 1
H31C H 0.276758 0.777401 0.785755 0.101 Uiso 0.728(12) 1 calc R U P B 1
H31D H 0.324370 0.850274 0.781527 0.101 Uiso 0.728(12) 1 calc R U P B 1
C32A C 0.2437(15) 0.8285(10) 0.6871(10) 0.083(4) Uani 0.728(12) 1 d D U P B 1
H32E H 0.178216 0.840654 0.706024 0.100 Uiso 0.728(12) 1 calc R U P B 1
H32F H 0.269338 0.874583 0.663253 0.100 Uiso 0.728(12) 1 calc R U P B 1
C33A C 0.2337(19) 0.7738(12) 0.6346(11) 0.092(4) Uani 0.728(12) 1 d D U P B 1
H33C H 0.298294 0.763806 0.613024 0.111 Uiso 0.728(12) 1 calc R U P B 1
H33D H 0.188628 0.791608 0.593554 0.111 Uiso 0.728(12) 1 calc R U P B 1
N34A N 0.1936(15) 0.7004(9) 0.6671(10) 0.093(4) Uani 0.728(12) 1 d D U P B 1
H34C H 0.241295 0.678019 0.696335 0.111 Uiso 0.728(12) 1 calc R U P B 1
H34D H 0.177245 0.668256 0.628849 0.111 Uiso 0.728(12) 1 calc R U P B 1
N41A N 0.290(5) 0.799(3) 0.758(3) 0.084(4) Uani 0.272(12) 1 d D U P B 2
H41A H 0.259396 0.801928 0.802690 0.101 Uiso 0.272(12) 1 calc R U P B 2
H41B H 0.280938 0.840980 0.729263 0.101 Uiso 0.272(12) 1 calc R U P B 2
C42A C 0.285(4) 0.721(3) 0.717(3) 0.089(5) Uani 0.272(12) 1 d D U P B 2
H42C H 0.351334 0.697904 0.718845 0.107 Uiso 0.272(12) 1 calc R U P B 2
H42D H 0.240986 0.687138 0.743931 0.107 Uiso 0.272(12) 1 calc R U P B 2
C43A C 0.254(3) 0.724(3) 0.645(2) 0.092(5) Uani 0.272(12) 1 d D U P B 2
H43C H 0.259504 0.672747 0.623782 0.110 Uiso 0.272(12) 1 calc R U P B 2
H43D H 0.299207 0.757081 0.618236 0.110 Uiso 0.272(12) 1 calc R U P B 2
N44A N 0.146(3) 0.753(3) 0.628(3) 0.095(5) Uani 0.272(12) 1 d D U P B 2
H44A H 0.120587 0.728317 0.587383 0.114 Uiso 0.272(12) 1 calc R U P B 2
H44B H 0.147850 0.803014 0.617670 0.114 Uiso 0.272(12) 1 calc R U P B 2
N51B N 0.8927(16) 0.6491(14) 0.8566(13) 0.096(5) Uani 0.561(14) 1 d D U P B 1
H51C H 0.849903 0.619627 0.829421 0.116 Uiso 0.561(14) 1 calc R U P B 1
H51D H 0.928871 0.618773 0.888070 0.116 Uiso 0.561(14) 1 calc R U P B 1
C52B C 0.833(2) 0.7090(19) 0.9046(17) 0.107(5) Uani 0.561(14) 1 d D U P B 1
H52E H 0.809733 0.684416 0.950526 0.128 Uiso 0.561(14) 1 calc R U P B 1
H52F H 0.876836 0.751181 0.919994 0.128 Uiso 0.561(14) 1 calc R U P B 1
C53B C 0.757(2) 0.7356(17) 0.8644(17) 0.102(5) Uani 0.561(14) 1 d D U P B 1
H53E H 0.776972 0.784741 0.843517 0.123 Uiso 0.561(14) 1 calc R U P B 1
H53F H 0.704386 0.746370 0.899901 0.123 Uiso 0.561(14) 1 calc R U P B 1
N54B N 0.708(3) 0.689(2) 0.7976(17) 0.105(6) Uani 0.561(14) 1 d D U P B 1
H54C H 0.710743 0.638881 0.809222 0.126 Uiso 0.561(14) 1 calc R U P B 1
H54D H 0.743456 0.696023 0.755731 0.126 Uiso 0.561(14) 1 calc R U P B 1
N61B N 0.889(2) 0.7311(18) 0.8789(19) 0.103(5) Uani 0.439(14) 1 d D U P A 2
H61C H 0.926928 0.739414 0.921299 0.124 Uiso 0.439(14) 1 calc R U P B 2
H61D H 0.851175 0.772888 0.871961 0.124 Uiso 0.439(14) 1 calc R U P B 2
C62B C 0.817(2) 0.663(2) 0.897(2) 0.099(5) Uani 0.439(14) 1 d D U P A 2
H62E H 0.840711 0.615187 0.876247 0.119 Uiso 0.439(14) 1 calc R U P B 2
H62F H 0.811734 0.656979 0.952371 0.119 Uiso 0.439(14) 1 calc R U P B 2
C63B C 0.729(2) 0.681(2) 0.8662(17) 0.101(5) Uani 0.439(14) 1 d D U P A 2
H63E H 0.718217 0.735525 0.874577 0.121 Uiso 0.439(14) 1 calc R U P B 2
H63F H 0.678376 0.653572 0.893846 0.121 Uiso 0.439(14) 1 calc R U P B 2
N64B N 0.710(4) 0.665(3) 0.7796(18) 0.097(7) Uani 0.439(14) 1 d D U P A 2
H64C H 0.709701 0.614690 0.768855 0.116 Uiso 0.439(14) 1 calc R U P B 2
H64D H 0.752938 0.689385 0.750571 0.116 Uiso 0.439(14) 1 calc R U P B 2
C1C C 0.6798(11) 0.4625(9) 0.5029(9) 0.086(5) Uani 1 1 d . U . . .
H1C1 H 0.669810 0.495686 0.545951 0.129 Uiso 1 1 calc R U . . .
H1C2 H 0.659564 0.411038 0.515374 0.129 Uiso 1 1 calc R U . . .
H1C3 H 0.640366 0.480634 0.459565 0.129 Uiso 1 1 calc R U . . .
C2C C 0.7819(5) 0.4626(4) 0.4852(4) 0.055(3) Uani 1 1 d G U . . .
C3C C 0.8183(7) 0.5154(4) 0.4357(4) 0.067(4) Uani 1 1 d G U . . .
H3C H 0.775353 0.551075 0.412116 0.081 Uiso 1 1 calc R U . . .
C4C C 0.9176(8) 0.5158(5) 0.4206(5) 0.101(5) Uani 1 1 d G U . . .
H4C H 0.942493 0.551866 0.386714 0.121 Uiso 1 1 calc R U . . .
C5C C 0.9805(6) 0.4636(6) 0.4550(6) 0.107(6) Uani 1 1 d G U . . .
H5C H 1.048312 0.463879 0.444711 0.128 Uiso 1 1 calc R U . . .
C6C C 0.9440(6) 0.4108(5) 0.5046(5) 0.078(4) Uani 1 1 d G U . . .
H6C H 0.986992 0.375100 0.528111 0.094 Uiso 1 1 calc R U . . .
C7C C 0.8447(7) 0.4104(4) 0.5197(4) 0.054(3) Uani 1 1 d G U . . .
H7C H 0.819852 0.374308 0.553515 0.064 Uiso 1 1 calc R U . . .
C1D C 0.1189(17) 0.3793(10) -0.0575(10) 0.130(7) Uani 1 1 d . U . . .
H1D1 H 0.108058 0.334600 -0.026437 0.195 Uiso 1 1 calc R U . . .
H1D2 H 0.182726 0.375270 -0.080628 0.195 Uiso 1 1 calc R U . . .
H1D3 H 0.066928 0.382627 -0.096764 0.195 Uiso 1 1 calc R U . . .
C2D C 0.1172(9) 0.4443(5) -0.0124(6) 0.090(5) Uani 1 1 d G U . . .
C3D C 0.0328(7) 0.4883(6) -0.0153(6) 0.080(4) Uani 1 1 d G U . . .
H3D H -0.020746 0.474911 -0.048221 0.096 Uiso 1 1 calc R U . . .
C4D C 0.0267(9) 0.5519(6) 0.0299(7) 0.104(6) Uani 1 1 d G U . . .
H4D H -0.031029 0.582031 0.027834 0.125 Uiso 1 1 calc R U . . .
C5D C 0.1050(12) 0.5716(6) 0.0780(6) 0.128(7) Uani 1 1 d G U . . .
H5D H 0.100803 0.615057 0.108858 0.154 Uiso 1 1 calc R U . . .
C6D C 0.1894(10) 0.5276(8) 0.0809(6) 0.134(7) Uani 1 1 d G U . . .
H6D H 0.242919 0.540964 0.113829 0.160 Uiso 1 1 calc R U . . .
C7D C 0.1955(7) 0.4639(7) 0.0358(7) 0.104(5) Uani 1 1 d G U . . .
H7D H 0.253204 0.433844 0.037775 0.125 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'
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'
K K 0.2009 0.2494 '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'
Bi Bi -4.1077 10.2566 '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
Rh2 Bi1 Rh1 68.91(2) . . ?
Rh2 Bi1 Rh4 109.18(2) . . ?
Rh1 Bi1 Rh4 110.47(2) . . ?
Rh2 Bi1 Bi4 99.590(19) . . ?
Rh1 Bi1 Bi4 58.523(18) . . ?
Rh4 Bi1 Bi4 53.432(15) . . ?
Rh2 Bi1 Bi3 58.008(16) . . ?
Rh1 Bi1 Bi3 97.357(18) . . ?
Rh4 Bi1 Bi3 51.814(16) . . ?
Bi4 Bi1 Bi3 73.056(11) . . ?
Rh1 Bi2 Rh2 68.77(2) . . ?
Rh1 Bi2 Rh3 108.89(2) . . ?
Rh2 Bi2 Rh3 110.29(2) . . ?
Rh1 Bi2 Bi3 100.471(18) . . ?
Rh2 Bi2 Bi3 59.211(16) . . ?
Rh3 Bi2 Bi3 52.863(15) . . ?
Rh1 Bi2 Bi4 57.875(18) . . ?
Rh2 Bi2 Bi4 97.346(18) . . ?
Rh3 Bi2 Bi4 51.712(17) . . ?
Bi3 Bi2 Bi4 73.664(11) . . ?
Rh4 Bi3 Rh3 68.35(2) . . ?
Rh4 Bi3 Rh2 107.92(2) . . ?
Rh3 Bi3 Rh2 111.02(2) . . ?
Rh4 Bi3 Bi2 99.507(18) . . ?
Rh3 Bi3 Bi2 59.678(17) . . ?
Rh2 Bi3 Bi2 53.155(16) . . ?
Rh4 Bi3 Bi1 57.300(17) . . ?
Rh3 Bi3 Bi1 97.169(18) . . ?
Rh2 Bi3 Bi1 51.257(15) . . ?
Bi2 Bi3 Bi1 72.975(11) . . ?
Rh3 Bi4 Rh4 68.33(2) . . ?
Rh3 Bi4 Rh1 110.42(2) . . ?
Rh4 Bi4 Rh1 110.47(2) . . ?
Rh3 Bi4 Bi1 100.089(18) . . ?
Rh4 Bi4 Bi1 58.525(17) . . ?
Rh1 Bi4 Bi1 53.434(15) . . ?
Rh3 Bi4 Bi2 58.927(18) . . ?
Rh4 Bi4 Bi2 97.435(19) . . ?
Rh1 Bi4 Bi2 52.212(17) . . ?
Bi1 Bi4 Bi2 73.468(11) . . ?
C14 Rh1 C18 96.5(4) . . ?
C14 Rh1 C11 81.1(4) . . ?
C18 Rh1 C11 38.0(4) . . ?
C14 Rh1 C15 37.7(4) . . ?
C18 Rh1 C15 80.8(4) . . ?
C11 Rh1 C15 89.4(4) . . ?
C14 Rh1 Bi2 160.5(3) . . ?
C18 Rh1 Bi2 89.3(3) . . ?
C11 Rh1 Bi2 92.5(3) . . ?
C15 Rh1 Bi2 161.4(3) . . ?
C14 Rh1 Bi1 95.5(3) . . ?
C18 Rh1 Bi1 148.5(3) . . ?
C11 Rh1 Bi1 173.5(3) . . ?
C15 Rh1 Bi1 91.3(3) . . ?
Bi2 Rh1 Bi1 88.97(2) . . ?
C14 Rh1 Bi4 94.2(3) . . ?
C18 Rh1 Bi4 139.5(3) . . ?
C11 Rh1 Bi4 106.5(3) . . ?
C15 Rh1 Bi4 127.1(3) . . ?
Bi2 Rh1 Bi4 69.91(2) . . ?
Bi1 Rh1 Bi4 68.043(18) . . ?
C14 Rh1 Rh2 140.3(3) . . ?
C18 Rh1 Rh2 99.1(3) . . ?
C11 Rh1 Rh2 130.7(3) . . ?
C15 Rh1 Rh2 110.0(3) . . ?
Bi2 Rh1 Rh2 55.909(18) . . ?
Bi1 Rh1 Rh2 54.917(19) . . ?
Bi4 Rh1 Rh2 97.08(2) . . ?
C25 Rh2 C21 97.3(4) . . ?
C25 Rh2 C28 81.9(4) . . ?
C21 Rh2 C28 37.5(3) . . ?
C25 Rh2 C24 37.7(3) . . ?
C21 Rh2 C24 80.9(4) . . ?
C28 Rh2 C24 89.1(4) . . ?
C25 Rh2 Bi1 86.4(3) . . ?
C21 Rh2 Bi1 166.4(3) . . ?
C28 Rh2 Bi1 155.9(3) . . ?
C24 Rh2 Bi1 94.5(3) . . ?
C25 Rh2 Bi2 149.3(3) . . ?
C21 Rh2 Bi2 93.8(2) . . ?
C28 Rh2 Bi2 90.0(2) . . ?
C24 Rh2 Bi2 172.4(2) . . ?
Bi1 Rh2 Bi2 89.42(2) . . ?
C25 Rh2 Bi3 137.8(3) . . ?
C21 Rh2 Bi3 98.3(3) . . ?
C28 Rh2 Bi3 130.6(3) . . ?
C24 Rh2 Bi3 107.6(3) . . ?
Bi1 Rh2 Bi3 70.735(18) . . ?
Bi2 Rh2 Bi3 67.635(17) . . ?
C25 Rh2 Rh1 98.2(3) . . ?
C21 Rh2 Rh1 135.4(2) . . ?
C28 Rh2 Rh1 104.7(2) . . ?
C24 Rh2 Rh1 132.1(3) . . ?
Bi1 Rh2 Rh1 56.17(2) . . ?
Bi2 Rh2 Rh1 55.32(2) . . ?
Bi3 Rh2 Rh1 97.59(2) . . ?
C38 Rh3 C34 96.0(4) . . ?
C38 Rh3 C35 81.1(4) . . ?
C34 Rh3 C35 38.0(4) . . ?
C38 Rh3 C31 37.1(4) . . ?
C34 Rh3 C31 81.4(4) . . ?
C35 Rh3 C31 90.1(4) . . ?
C38 Rh3 Bi4 153.5(3) . . ?
C34 Rh3 Bi4 91.5(3) . . ?
C35 Rh3 Bi4 89.6(3) . . ?
C31 Rh3 Bi4 168.8(3) . . ?
C38 Rh3 Bi3 87.0(3) . . ?
C34 Rh3 Bi3 170.7(3) . . ?
C35 Rh3 Bi3 151.3(3) . . ?
C31 Rh3 Bi3 96.0(3) . . ?
Bi4 Rh3 Bi3 89.60(2) . . ?
C38 Rh3 Bi2 132.2(3) . . ?
C34 Rh3 Bi2 104.4(3) . . ?
C35 Rh3 Bi2 137.9(3) . . ?
C31 Rh3 Bi2 103.9(3) . . ?
Bi4 Rh3 Bi2 69.361(19) . . ?
Bi3 Rh3 Bi2 67.458(17) . . ?
C38 Rh3 Rh4 101.0(3) . . ?
C34 Rh3 Rh4 131.7(3) . . ?
C35 Rh3 Rh4 101.0(3) . . ?
C31 Rh3 Rh4 134.5(3) . . ?
Bi4 Rh3 Rh4 56.359(19) . . ?
Bi3 Rh3 Rh4 55.676(19) . . ?
Bi2 Rh3 Rh4 96.77(2) . . ?
C44 Rh4 C48 88.4(4) . . ?
C44 Rh4 C45 37.1(4) . . ?
C48 Rh4 C45 80.6(4) . . ?
C44 Rh4 C41 81.4(4) . . ?
C48 Rh4 C41 37.8(3) . . ?
C45 Rh4 C41 97.0(4) . . ?
C44 Rh4 Bi3 160.2(3) . . ?
C48 Rh4 Bi3 93.9(3) . . ?
C45 Rh4 Bi3 162.5(3) . . ?
C41 Rh4 Bi3 88.4(3) . . ?
C44 Rh4 Bi4 100.0(3) . . ?
C48 Rh4 Bi4 145.8(3) . . ?
C45 Rh4 Bi4 86.4(3) . . ?
C41 Rh4 Bi4 175.9(3) . . ?
Bi3 Rh4 Bi4 89.10(2) . . ?
C44 Rh4 Bi1 96.1(3) . . ?
C48 Rh4 Bi1 144.4(3) . . ?
C45 Rh4 Bi1 122.5(3) . . ?
C41 Rh4 Bi1 108.0(3) . . ?
Bi3 Rh4 Bi1 70.89(2) . . ?
Bi4 Rh4 Bi1 68.043(19) . . ?
C44 Rh4 Rh3 143.0(3) . . ?
C48 Rh4 Rh3 99.2(2) . . ?
C45 Rh4 Rh3 108.2(3) . . ?
C41 Rh4 Rh3 125.3(2) . . ?
Bi3 Rh4 Rh3 55.97(2) . . ?
Bi4 Rh4 Rh3 55.31(2) . . ?
Bi1 Rh4 Rh3 98.12(3) . . ?
C18 C11 C12 122.6(9) . . ?
C18 C11 Rh1 70.1(5) . . ?
C12 C11 Rh1 111.7(7) . . ?
C18 C11 H11 114.8 . . ?
C12 C11 H11 114.8 . . ?
Rh1 C11 H11 114.8 . . ?
C13 C12 C11 113.6(8) . . ?
C13 C12 H12A 108.9 . . ?
C11 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
C11 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C14 C13 C12 114.1(9) . . ?
C14 C13 H13A 108.7 . . ?
C12 C13 H13A 108.7 . . ?
C14 C13 H13B 108.7 . . ?
C12 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C15 C14 C13 125.2(10) . . ?
C15 C14 Rh1 72.2(6) . . ?
C13 C14 Rh1 109.9(7) . . ?
C15 C14 H14 113.9 . . ?
C13 C14 H14 113.9 . . ?
Rh1 C14 H14 113.9 . . ?
C14 C15 C16 122.6(9) . . ?
C14 C15 Rh1 70.1(6) . . ?
C16 C15 Rh1 113.2(8) . . ?
C14 C15 H15 114.4 . . ?
C16 C15 H15 114.4 . . ?
Rh1 C15 H15 114.4 . . ?
C15 C16 C17 112.7(8) . . ?
C15 C16 H16A 109.0 . . ?
C17 C16 H16A 109.0 . . ?
C15 C16 H16B 109.0 . . ?
C17 C16 H16B 109.0 . . ?
H16A C16 H16B 107.8 . . ?
C18 C17 C16 113.1(9) . . ?
C18 C17 H17A 109.0 . . ?
C16 C17 H17A 109.0 . . ?
C18 C17 H17B 109.0 . . ?
C16 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
C11 C18 C17 124.2(9) . . ?
C11 C18 Rh1 71.9(6) . . ?
C17 C18 Rh1 112.6(7) . . ?
C11 C18 H18 113.7 . . ?
C17 C18 H18 113.7 . . ?
Rh1 C18 H18 113.7 . . ?
C28 C21 C22 125.5(9) . . ?
C28 C21 Rh2 71.4(5) . . ?
C22 C21 Rh2 109.7(6) . . ?
C28 C21 H21 114.0 . . ?
C22 C21 H21 114.0 . . ?
Rh2 C21 H21 114.0 . . ?
C21 C22 C23 113.3(8) . . ?
C21 C22 H22A 108.9 . . ?
C23 C22 H22A 108.9 . . ?
C21 C22 H22B 108.9 . . ?
C23 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C24 C23 C22 112.9(8) . . ?
C24 C23 H23A 109.0 . . ?
C22 C23 H23A 109.0 . . ?
C24 C23 H23B 109.0 . . ?
C22 C23 H23B 109.0 . . ?
H23A C23 H23B 107.8 . . ?
C25 C24 C23 123.2(9) . . ?
C25 C24 Rh2 70.0(5) . . ?
C23 C24 Rh2 112.4(6) . . ?
C25 C24 H24 114.4 . . ?
C23 C24 H24 114.4 . . ?
Rh2 C24 H24 114.4 . . ?
C24 C25 C26 124.7(10) . . ?
C24 C25 Rh2 72.2(5) . . ?
C26 C25 Rh2 109.6(7) . . ?
C24 C25 H25 114.2 . . ?
C26 C25 H25 114.2 . . ?
Rh2 C25 H25 114.2 . . ?
C25 C26 C27 113.9(9) . . ?
C25 C26 H26A 108.8 . . ?
C27 C26 H26A 108.8 . . ?
C25 C26 H26B 108.8 . . ?
C27 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
C28 C27 C26 113.6(9) . . ?
C28 C27 H27A 108.8 . . ?
C26 C27 H27A 108.8 . . ?
C28 C27 H27B 108.8 . . ?
C26 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
C21 C28 C27 124.9(8) . . ?
C21 C28 Rh2 71.1(5) . . ?
C27 C28 Rh2 111.9(7) . . ?
C21 C28 H28 113.8 . . ?
C27 C28 H28 113.8 . . ?
Rh2 C28 H28 113.8 . . ?
C38 C31 C32 122.1(11) . . ?
C38 C31 Rh3 70.7(6) . . ?
C32 C31 Rh3 112.2(8) . . ?
C38 C31 H31 114.7 . . ?
C32 C31 H31 114.7 . . ?
Rh3 C31 H31 114.7 . . ?
C33 C32 C31 112.9(10) . . ?
C33 C32 H32A 109.0 . . ?
C31 C32 H32A 109.0 . . ?
C33 C32 H32B 109.0 . . ?
C31 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
C32 C33 C34 116.5(9) . . ?
C32 C33 H33A 108.2 . . ?
C34 C33 H33A 108.2 . . ?
C32 C33 H33B 108.2 . . ?
C34 C33 H33B 108.2 . . ?
H33A C33 H33B 107.3 . . ?
C35 C34 C33 124.2(10) . . ?
C35 C34 Rh3 71.2(5) . . ?
C33 C34 Rh3 108.8(7) . . ?
C35 C34 H34 114.7 . . ?
C33 C34 H34 114.7 . . ?
Rh3 C34 H34 114.7 . . ?
C34 C35 C36 124.4(10) . . ?
C34 C35 Rh3 70.8(6) . . ?
C36 C35 Rh3 112.2(7) . . ?
C34 C35 H35 113.9 . . ?
C36 C35 H35 113.9 . . ?
Rh3 C35 H35 113.9 . . ?
C37 C36 C35 113.8(9) . . ?
C37 C36 H36A 108.8 . . ?
C35 C36 H36A 108.8 . . ?
C37 C36 H36B 108.8 . . ?
C35 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?
C36 C37 C38 115.6(10) . . ?
C36 C37 H37A 108.4 . . ?
C38 C37 H37A 108.4 . . ?
C36 C37 H37B 108.4 . . ?
C38 C37 H37B 108.4 . . ?
H37A C37 H37B 107.4 . . ?
C31 C38 C37 126.7(10) . . ?
C31 C38 Rh3 72.3(6) . . ?
C37 C38 Rh3 108.8(7) . . ?
C31 C38 H38 113.7 . . ?
C37 C38 H38 113.7 . . ?
Rh3 C38 H38 113.7 . . ?
C48 C41 C42 124.3(9) . . ?
C48 C41 Rh4 69.9(5) . . ?
C42 C41 Rh4 109.8(7) . . ?
C48 C41 H41 114.7 . . ?
C42 C41 H41 114.7 . . ?
Rh4 C41 H41 114.7 . . ?
C41 C42 C43 113.3(8) . . ?
C41 C42 H42A 108.9 . . ?
C43 C42 H42A 108.9 . . ?
C41 C42 H42B 108.9 . . ?
C43 C42 H42B 108.9 . . ?
H42A C42 H42B 107.7 . . ?
C42 C43 C44 113.8(9) . . ?
C42 C43 H43A 108.8 . . ?
C44 C43 H43A 108.8 . . ?
C42 C43 H43B 108.8 . . ?
C44 C43 H43B 108.8 . . ?
H43A C43 H43B 107.7 . . ?
C45 C44 C43 124.1(9) . . ?
C45 C44 Rh4 73.0(6) . . ?
C43 C44 Rh4 112.7(7) . . ?
C45 C44 H44 113.5 . . ?
C43 C44 H44 113.5 . . ?
Rh4 C44 H44 113.5 . . ?
C44 C45 C46 125.4(9) . . ?
C44 C45 Rh4 69.9(6) . . ?
C46 C45 Rh4 109.9(7) . . ?
C44 C45 H45 114.3 . . ?
C46 C45 H45 114.3 . . ?
Rh4 C45 H45 114.3 . . ?
C45 C46 C47 113.2(9) . . ?
C45 C46 H46A 108.9 . . ?
C47 C46 H46A 108.9 . . ?
C45 C46 H46B 108.9 . . ?
C47 C46 H46B 108.9 . . ?
H46A C46 H46B 107.8 . . ?
C48 C47 C46 112.6(8) . . ?
C48 C47 H47A 109.1 . . ?
C46 C47 H47A 109.1 . . ?
C48 C47 H47B 109.1 . . ?
C46 C47 H47B 109.1 . . ?
H47A C47 H47B 107.8 . . ?
C41 C48 C47 123.8(9) . . ?
C41 C48 Rh4 72.4(5) . . ?
C47 C48 Rh4 113.6(6) . . ?
C41 C48 H48 113.5 . . ?
C47 C48 H48 113.5 . . ?
Rh4 C48 H48 113.5 . . ?
O4A K1A O13A 178.0(2) . . ?
O4A K1A O1A 61.4(2) . . ?
O13A K1A O1A 120.3(2) . . ?
O4A K1A O16A 121.6(2) . . ?
O13A K1A O16A 60.31(19) . . ?
O1A K1A O16A 61.1(2) . . ?
O4A K1A O7A 60.6(2) . . ?
O13A K1A O7A 117.54(19) . . ?
O1A K1A O7A 121.1(2) . . ?
O16A K1A O7A 177.8(2) . . ?
O4A K1A O10A 117.9(2) . . ?
O13A K1A O10A 60.63(18) . . ?
O1A K1A O10A 172.9(2) . . ?
O16A K1A O10A 117.86(19) . . ?
O7A K1A O10A 60.06(18) . . ?
O4A K1A N54B 93.5(6) . . ?
O13A K1A N54B 85.2(6) . . ?
O1A K1A N54B 95.6(8) . . ?
O16A K1A N54B 101.3(7) . . ?
O7A K1A N54B 78.4(7) . . ?
O10A K1A N54B 91.5(8) . . ?
O4A K1A N31A 95.7(4) . . ?
O13A K1A N31A 85.7(4) . . ?
O1A K1A N31A 80.6(5) . . ?
O16A K1A N31A 65.7(4) . . ?
O7A K1A N31A 114.5(4) . . ?
O10A K1A N31A 92.6(5) . . ?
N54B K1A N31A 166.7(8) . . ?
O4A K1A N64B 85.8(6) . . ?
O13A K1A N64B 92.9(6) . . ?
O1A K1A N64B 97.5(9) . . ?
O16A K1A N64B 111.0(9) . . ?
O7A K1A N64B 68.8(9) . . ?
O10A K1A N64B 89.4(9) . . ?
O4A K1A C42A 77.8(10) . . ?
O13A K1A C42A 102.8(10) . . ?
O1A K1A C42A 95.5(9) . . ?
O16A K1A C42A 98.1(9) . . ?
O7A K1A C42A 82.1(9) . . ?
O10A K1A C42A 77.6(9) . . ?
N64B K1A C42A 150.9(12) . . ?
O4A K1A N41A 96.0(10) . . ?
O13A K1A N41A 85.3(10) . . ?
O1A K1A N41A 84.9(12) . . ?
O16A K1A N41A 69.5(9) . . ?
O7A K1A N41A 110.5(9) . . ?
O10A K1A N41A 88.3(12) . . ?
N64B K1A N41A 177.5(15) . . ?
C42A K1A N41A 28.8(5) . . ?
C2A O1A C18A 113.5(8) . . ?
C2A O1A K1A 111.3(5) . . ?
C18A O1A K1A 112.5(6) . . ?
O1A C2A C3A 109.6(9) . . ?
O1A C2A H2A1 109.8 . . ?
C3A C2A H2A1 109.8 . . ?
O1A C2A H2A2 109.8 . . ?
C3A C2A H2A2 109.8 . . ?
H2A1 C2A H2A2 108.2 . . ?
O4A C3A C2A 107.7(8) . . ?
O4A C3A H3A1 110.2 . . ?
C2A C3A H3A1 110.2 . . ?
O4A C3A H3A2 110.2 . . ?
C2A C3A H3A2 110.2 . . ?
H3A1 C3A H3A2 108.5 . . ?
C5A O4A C3A 111.7(7) . . ?
C5A O4A K1A 112.7(6) . . ?
C3A O4A K1A 115.6(5) . . ?
O4A C5A C6A 109.3(8) . . ?
O4A C5A H5A1 109.8 . . ?
C6A C5A H5A1 109.8 . . ?
O4A C5A H5A2 109.8 . . ?
C6A C5A H5A2 109.8 . . ?
H5A1 C5A H5A2 108.3 . . ?
O7A C6A C5A 109.3(9) . . ?
O7A C6A H6A1 109.8 . . ?
C5A C6A H6A1 109.8 . . ?
O7A C6A H6A2 109.8 . . ?
C5A C6A H6A2 109.8 . . ?
H6A1 C6A H6A2 108.3 . . ?
C8A O7A C6A 111.6(7) . . ?
C8A O7A K1A 113.8(5) . . ?
C6A O7A K1A 114.8(6) . . ?
O7A C8A C9A 110.6(8) . . ?
O7A C8A H8A1 109.5 . . ?
C9A C8A H8A1 109.5 . . ?
O7A C8A H8A2 109.5 . . ?
C9A C8A H8A2 109.5 . . ?
H8A1 C8A H8A2 108.1 . . ?
O10A C9A C8A 109.1(8) . . ?
O10A C9A H9A1 109.9 . . ?
C8A C9A H9A1 109.9 . . ?
O10A C9A H9A2 109.9 . . ?
C8A C9A H9A2 109.9 . . ?
H9A1 C9A H9A2 108.3 . . ?
C11A O10A C9A 111.1(7) . . ?
C11A O10A K1A 114.3(5) . . ?
C9A O10A K1A 116.3(5) . . ?
O10A C11A C12A 109.5(8) . . ?
O10A C11A H11A 109.8 . . ?
C12A C11A H11A 109.8 . . ?
O10A C11A H11B 109.8 . . ?
C12A C11A H11B 109.8 . . ?
H11A C11A H11B 108.2 . . ?
O13A C12A C11A 109.3(8) . . ?
O13A C12A H12C 109.8 . . ?
C11A C12A H12C 109.8 . . ?
O13A C12A H12D 109.8 . . ?
C11A C12A H12D 109.8 . . ?
H12C C12A H12D 108.3 . . ?
C14A O13A C12A 112.6(7) . . ?
C14A O13A K1A 116.1(6) . . ?
C12A O13A K1A 114.1(5) . . ?
O13A C14A C15A 109.1(8) . . ?
O13A C14A H14A 109.9 . . ?
C15A C14A H14A 109.9 . . ?
O13A C14A H14B 109.9 . . ?
C15A C14A H14B 109.9 . . ?
H14A C14A H14B 108.3 . . ?
O16A C15A C14A 108.6(8) . . ?
O16A C15A H15A 110.0 . . ?
C14A C15A H15A 110.0 . . ?
O16A C15A H15B 110.0 . . ?
C14A C15A H15B 110.0 . . ?
H15A C15A H15B 108.4 . . ?
C15A O16A C17A 112.4(8) . . ?
C15A O16A K1A 111.5(5) . . ?
C17A O16A K1A 112.9(5) . . ?
O16A C17A C18A 110.0(8) . . ?
O16A C17A H17C 109.7 . . ?
C18A C17A H17C 109.7 . . ?
O16A C17A H17D 109.7 . . ?
C18A C17A H17D 109.7 . . ?
H17C C17A H17D 108.2 . . ?
O1A C18A C17A 108.4(8) . . ?
O1A C18A H18C 110.0 . . ?
C17A C18A H18C 110.0 . . ?
O1A C18A H18D 110.0 . . ?
C17A C18A H18D 110.0 . . ?
H18C C18A H18D 108.4 . . ?
O13B K1B O10B 62.0(4) . . ?
O27B K1B O24B 60.6(3) . . ?
O13B K1B O16B 61.0(4) . . ?
O10B K1B O16B 120.2(5) . . ?
O13B K1B O7B 122.5(4) . . ?
O10B K1B O7B 61.0(4) . . ?
O16B K1B O7B 170.8(8) . . ?
O27B K1B O30B 61.1(3) . . ?
O24B K1B O30B 119.5(4) . . ?
O27B K1B O21B 120.6(4) . . ?
O24B K1B O21B 60.6(3) . . ?
O30B K1B O21B 172.8(7) . . ?
O27B K1B O33B 120.8(4) . . ?
O24B K1B O33B 173.8(6) . . ?
O30B K1B O33B 60.5(3) . . ?
O21B K1B O33B 118.5(4) . . ?
O27B K1B O36B 172.0(7) . . ?
O24B K1B O36B 118.5(4) . . ?
O30B K1B O36B 116.9(4) . . ?
O21B K1B O36B 60.3(3) . . ?
O33B K1B O36B 59.2(3) . . ?
O27B K1B N61B 90.2(8) . . ?
O24B K1B N61B 69.3(8) . . ?
O30B K1B N61B 96.3(8) . . ?
O21B K1B N61B 77.0(8) . . ?
O33B K1B N61B 104.6(8) . . ?
O36B K1B N61B 82.3(9) . . ?
O13B K1B O4B 172.1(8) . . ?
O10B K1B O4B 117.2(5) . . ?
O16B K1B O4B 116.7(4) . . ?
O7B K1B O4B 58.6(4) . . ?
C2B O1B C18B 111.7(14) . . ?
C2B O1B K1B 114.4(11) . . ?
C18B O1B K1B 111.5(11) . . ?
O1B C2B C3B 108.4(14) . . ?
O1B C2B H2B1 110.0 . . ?
C3B C2B H2B1 110.0 . . ?
O1B C2B H2B2 110.0 . . ?
C3B C2B H2B2 110.0 . . ?
H2B1 C2B H2B2 108.4 . . ?
O4B C3B C2B 106.6(14) . . ?
O4B C3B H3B1 110.4 . . ?
C2B C3B H3B1 110.4 . . ?
O4B C3B H3B2 110.4 . . ?
C2B C3B H3B2 110.4 . . ?
H3B1 C3B H3B2 108.6 . . ?
C5B O4B C3B 111.1(13) . . ?
C5B O4B K1B 114.2(12) . . ?
C3B O4B K1B 113.8(12) . . ?
O4B C5B C6B 109.1(14) . . ?
O4B C5B H5B1 109.9 . . ?
C6B C5B H5B1 109.9 . . ?
O4B C5B H5B2 109.9 . . ?
C6B C5B H5B2 109.9 . . ?
H5B1 C5B H5B2 108.3 . . ?
O7B C6B C5B 109.7(14) . . ?
O7B C6B H6B1 109.7 . . ?
C5B C6B H6B1 109.7 . . ?
O7B C6B H6B2 109.7 . . ?
C5B C6B H6B2 109.7 . . ?
H6B1 C6B H6B2 108.2 . . ?
C8B O7B C6B 115.0(13) . . ?
C8B O7B K1B 114.8(11) . . ?
C6B O7B K1B 118.7(11) . . ?
O7B C8B C9B 109.8(15) . . ?
O7B C8B H8B1 109.7 . . ?
C9B C8B H8B1 109.7 . . ?
O7B C8B H8B2 109.7 . . ?
C9B C8B H8B2 109.7 . . ?
H8B1 C8B H8B2 108.2 . . ?
O10B C9B C8B 108.7(14) . . ?
O10B C9B H9B1 109.9 . . ?
C8B C9B H9B1 109.9 . . ?
O10B C9B H9B2 109.9 . . ?
C8B C9B H9B2 109.9 . . ?
H9B1 C9B H9B2 108.3 . . ?
C11B O10B C9B 111.6(13) . . ?
C11B O10B K1B 112.4(12) . . ?
C9B O10B K1B 110.3(12) . . ?
O10B C11B C12B 108.6(14) . . ?
O10B C11B H11C 110.0 . . ?
C12B C11B H11C 110.0 . . ?
O10B C11B H11D 110.0 . . ?
C12B C11B H11D 110.0 . . ?
H11C C11B H11D 108.4 . . ?
O13B C12B C11B 109.0(14) . . ?
O13B C12B H12E 109.9 . . ?
C11B C12B H12E 109.9 . . ?
O13B C12B H12F 109.9 . . ?
C11B C12B H12F 109.9 . . ?
H12E C12B H12F 108.3 . . ?
C14B O13B C12B 112.3(13) . . ?
C14B O13B K1B 116.6(11) . . ?
C12B O13B K1B 114.5(11) . . ?
O13B C14B C15B 109.4(14) . . ?
O13B C14B H14C 109.8 . . ?
C15B C14B H14C 109.8 . . ?
O13B C14B H14D 109.8 . . ?
C15B C14B H14D 109.8 . . ?
H14C C14B H14D 108.2 . . ?
O16B C15B C14B 108.6(13) . . ?
O16B C15B H15C 110.0 . . ?
C14B C15B H15C 110.0 . . ?
O16B C15B H15D 110.0 . . ?
C14B C15B H15D 110.0 . . ?
H15C C15B H15D 108.4 . . ?
C15B O16B C17B 114.0(13) . . ?
C15B O16B K1B 113.0(12) . . ?
C17B O16B K1B 115.8(11) . . ?
O16B C17B C18B 110.1(14) . . ?
O16B C17B H17E 109.6 . . ?
C18B C17B H17E 109.6 . . ?
O16B C17B H17F 109.6 . . ?
C18B C17B H17F 109.6 . . ?
H17E C17B H17F 108.2 . . ?
O1B C18B C17B 110.3(14) . . ?
O1B C18B H18E 109.6 . . ?
C17B C18B H18E 109.6 . . ?
O1B C18B H18F 109.6 . . ?
C17B C18B H18F 109.6 . . ?
H18E C18B H18F 108.1 . . ?
C22B O21B C38B 112.0(12) . . ?
C22B O21B K1B 114.1(10) . . ?
C38B O21B K1B 112.7(10) . . ?
O21B C22B C23B 109.7(13) . . ?
O21B C22B H22C 109.7 . . ?
C23B C22B H22C 109.7 . . ?
O21B C22B H22D 109.7 . . ?
C23B C22B H22D 109.7 . . ?
H22C C22B H22D 108.2 . . ?
O24B C23B C22B 107.1(13) . . ?
O24B C23B H23C 110.3 . . ?
C22B C23B H23C 110.3 . . ?
O24B C23B H23D 110.3 . . ?
C22B C23B H23D 110.3 . . ?
H23C C23B H23D 108.5 . . ?
C25B O24B C23B 110.6(12) . . ?
C25B O24B K1B 114.6(10) . . ?
C23B O24B K1B 114.2(10) . . ?
O24B C25B C26B 108.8(13) . . ?
O24B C25B H25A 109.9 . . ?
C26B C25B H25A 109.9 . . ?
O24B C25B H25B 109.9 . . ?
C26B C25B H25B 109.9 . . ?
H25A C25B H25B 108.3 . . ?
O27B C26B C25B 109.9(13) . . ?
O27B C26B H26C 109.7 . . ?
C25B C26B H26C 109.7 . . ?
O27B C26B H26D 109.7 . . ?
C25B C26B H26D 109.7 . . ?
H26C C26B H26D 108.2 . . ?
C28B O27B C26B 114.6(12) . . ?
C28B O27B K1B 116.3(9) . . ?
C26B O27B K1B 115.9(10) . . ?
O27B C28B C29B 110.1(13) . . ?
O27B C28B H28A 109.6 . . ?
C29B C28B H28A 109.6 . . ?
O27B C28B H28B 109.6 . . ?
C29B C28B H28B 109.6 . . ?
H28A C28B H28B 108.2 . . ?
O30B C29B C28B 109.2(13) . . ?
O30B C29B H29A 109.8 . . ?
C28B C29B H29A 109.8 . . ?
O30B C29B H29B 109.8 . . ?
C28B C29B H29B 109.8 . . ?
H29A C29B H29B 108.3 . . ?
C31B O30B C29B 112.1(12) . . ?
C31B O30B K1B 113.2(11) . . ?
C29B O30B K1B 110.1(11) . . ?
O30B C31B C32B 109.9(13) . . ?
O30B C31B H31A 109.7 . . ?
C32B C31B H31A 109.7 . . ?
O30B C31B H31B 109.7 . . ?
C32B C31B H31B 109.7 . . ?
H31A C31B H31B 108.2 . . ?
O33B C32B C31B 108.2(13) . . ?
O33B C32B H32C 110.1 . . ?
C31B C32B H32C 110.1 . . ?
O33B C32B H32D 110.1 . . ?
C31B C32B H32D 110.1 . . ?
H32C C32B H32D 108.4 . . ?
C34B O33B C32B 112.7(12) . . ?
C34B O33B K1B 116.3(9) . . ?
C32B O33B K1B 114.3(10) . . ?
O33B C34B C35B 108.8(12) . . ?
O33B C34B H34A 109.9 . . ?
C35B C34B H34A 109.9 . . ?
O33B C34B H34B 109.9 . . ?
C35B C34B H34B 109.9 . . ?
H34A C34B H34B 108.3 . . ?
O36B C35B C34B 108.2(12) . . ?
O36B C35B H35A 110.1 . . ?
C34B C35B H35A 110.1 . . ?
O36B C35B H35B 110.1 . . ?
C34B C35B H35B 110.1 . . ?
H35A C35B H35B 108.4 . . ?
C35B O36B C37B 113.5(11) . . ?
C35B O36B K1B 114.1(11) . . ?
C37B O36B K1B 114.7(10) . . ?
O36B C37B C38B 110.5(12) . . ?
O36B C37B H37C 109.6 . . ?
C38B C37B H37C 109.6 . . ?
O36B C37B H37D 109.6 . . ?
C38B C37B H37D 109.6 . . ?
H37C C37B H37D 108.1 . . ?
O21B C38B C37B 110.1(12) . . ?
O21B C38B H38A 109.6 . . ?
C37B C38B H38A 109.6 . . ?
O21B C38B H38B 109.6 . . ?
C37B C38B H38B 109.6 . . ?
H38A C38B H38B 108.2 . . ?
C32A N31A K1A 132.7(13) . . ?
C32A N31A H31C 104.1 . . ?
K1A N31A H31C 104.1 . . ?
C32A N31A H31D 104.1 . . ?
K1A N31A H31D 104.1 . . ?
H31C N31A H31D 105.5 . . ?
C33A C32A N31A 113.7(17) . . ?
C33A C32A H32E 108.8 . . ?
N31A C32A H32E 108.8 . . ?
C33A C32A H32F 108.8 . . ?
N31A C32A H32F 108.8 . . ?
H32E C32A H32F 107.7 . . ?
C32A C33A N34A 112.0(15) . . ?
C32A C33A H33C 109.2 . . ?
N34A C33A H33C 109.2 . . ?
C32A C33A H33D 109.2 . . ?
N34A C33A H33D 109.2 . . ?
H33C C33A H33D 107.9 . . ?
C33A N34A K1B 112.0(14) . 1_455 ?
C33A N34A H34C 109.2 . . ?
K1B N34A H34C 109.2 1_455 . ?
C33A N34A H34D 109.2 . . ?
K1B N34A H34D 109.2 1_455 . ?
H34C N34A H34D 107.9 . . ?
C42A N41A K1A 74(3) . . ?
C42A N41A H41A 116.2 . . ?
K1A N41A H41A 116.2 . . ?
C42A N41A H41B 116.2 . . ?
K1A N41A H41B 116.2 . . ?
H41A N41A H41B 113.2 . . ?
C43A C42A N41A 115(3) . . ?
C43A C42A K1A 123(4) . . ?
N41A C42A K1A 78(3) . . ?
C43A C42A H42C 108.5 . . ?
N41A C42A H42C 108.5 . . ?
K1A C42A H42C 30.9 . . ?
C43A C42A H42D 108.5 . . ?
N41A C42A H42D 108.5 . . ?
K1A C42A H42D 119.8 . . ?
H42C C42A H42D 107.5 . . ?
C42A C43A N44A 118(3) . . ?
C42A C43A H43C 107.9 . . ?
N44A C43A H43C 107.9 . . ?
C42A C43A H43D 107.9 . . ?
N44A C43A H43D 107.9 . . ?
H43C C43A H43D 107.2 . . ?
C43A N44A H44A 109.3 . . ?
K1B N44A H44A 109.3 1_455 . ?
C43A N44A H44B 109.3 . . ?
K1B N44A H44B 109.3 1_455 . ?
H44A N44A H44B 108.0 . . ?
C52B N51B K1B 109.9(19) . . ?
C52B N51B H51C 109.7 . . ?
K1B N51B H51C 109.7 . . ?
C52B N51B H51D 109.7 . . ?
K1B N51B H51D 109.7 . . ?
H51C N51B H51D 108.2 . . ?
C53B C52B N51B 110(2) . . ?
C53B C52B H52E 109.6 . . ?
N51B C52B H52E 109.6 . . ?
C53B C52B H52F 109.6 . . ?
N51B C52B H52F 109.6 . . ?
H52E C52B H52F 108.1 . . ?
C52B C53B N54B 121(2) . . ?
C52B C53B H53E 107.0 . . ?
N54B C53B H53E 107.0 . . ?
C52B C53B H53F 107.0 . . ?
N54B C53B H53F 107.0 . . ?
H53E C53B H53F 106.7 . . ?
C53B N54B K1A 112.2(18) . . ?
C53B N54B H54C 109.2 . . ?
K1A N54B H54C 109.2 . . ?
C53B N54B H54D 109.2 . . ?
K1A N54B H54D 109.2 . . ?
H54C N54B H54D 107.9 . . ?
C62B N61B K1B 123(2) . . ?
C62B N61B H61C 106.6 . . ?
K1B N61B H61C 106.6 . . ?
C62B N61B H61D 106.6 . . ?
K1B N61B H61D 106.6 . . ?
H61C N61B H61D 106.5 . . ?
C63B C62B N61B 107(2) . . ?
C63B C62B H62E 110.4 . . ?
N61B C62B H62E 110.4 . . ?
C63B C62B H62F 110.4 . . ?
N61B C62B H62F 110.4 . . ?
H62E C62B H62F 108.6 . . ?
C62B C63B N64B 119(3) . . ?
C62B C63B H63E 107.6 . . ?
N64B C63B H63E 107.6 . . ?
C62B C63B H63F 107.7 . . ?
N64B C63B H63F 107.7 . . ?
H63E C63B H63F 107.1 . . ?
C63B N64B K1A 97(2) . . ?
C63B N64B H64C 112.3 . . ?
K1A N64B H64C 112.3 . . ?
C63B N64B H64D 112.3 . . ?
K1A N64B H64D 112.3 . . ?
H64C N64B H64D 109.9 . . ?
C2C C1C H1C1 109.5 . . ?
C2C C1C H1C2 109.5 . . ?
H1C1 C1C H1C2 109.5 . . ?
C2C C1C H1C3 109.5 . . ?
H1C1 C1C H1C3 109.5 . . ?
H1C2 C1C H1C3 109.5 . . ?
C3C C2C C7C 120.0 . . ?
C3C C2C C1C 120.8(9) . . ?
C7C C2C C1C 119.2(9) . . ?
C4C C3C C2C 120.0 . . ?
C4C C3C H3C 120.0 . . ?
C2C C3C H3C 120.0 . . ?
C5C C4C C3C 120.0 . . ?
C5C C4C H4C 120.0 . . ?
C3C C4C H4C 120.0 . . ?
C4C C5C C6C 120.0 . . ?
C4C C5C H5C 120.0 . . ?
C6C C5C H5C 120.0 . . ?
C5C C6C C7C 120.0 . . ?
C5C C6C H6C 120.0 . . ?
C7C C6C H6C 120.0 . . ?
C6C C7C C2C 120.0 . . ?
C6C C7C H7C 120.0 . . ?
C2C C7C H7C 120.0 . . ?
C2D C1D H1D1 109.5 . . ?
C2D C1D H1D2 109.5 . . ?
H1D1 C1D H1D2 109.5 . . ?
C2D C1D H1D3 109.5 . . ?
H1D1 C1D H1D3 109.5 . . ?
H1D2 C1D H1D3 109.5 . . ?
C3D C2D C7D 120.0 . . ?
C3D C2D C1D 117.9(13) . . ?
C7D C2D C1D 122.0(13) . . ?
C4D C3D C2D 120.0 . . ?
C4D C3D H3D 120.0 . . ?
C2D C3D H3D 120.0 . . ?
C3D C4D C5D 120.0 . . ?
C3D C4D H4D 120.0 . . ?
C5D C4D H4D 120.0 . . ?
C6D C5D C4D 120.0 . . ?
C6D C5D H5D 120.0 . . ?
C4D C5D H5D 120.0 . . ?
C7D C6D C5D 120.0 . . ?
C7D C6D H6D 120.0 . . ?
C5D C6D H6D 120.0 . . ?
C6D C7D C2D 120.0 . . ?
C6D C7D H7D 120.0 . . ?
C2D C7D H7D 120.0 . . ?
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
Bi1 Rh2 2.7012(8) . ?
Bi1 Rh1 2.7420(8) . ?
Bi1 Rh4 2.9117(8) . ?
Bi1 Bi4 3.1663(5) . ?
Bi1 Bi3 3.2693(4) . ?
Bi2 Rh1 2.7170(8) . ?
Bi2 Rh2 2.7362(8) . ?
Bi2 Rh3 2.9552(8) . ?
Bi2 Bi3 3.1620(4) . ?
Bi2 Bi4 3.2289(5) . ?
Bi3 Rh4 2.7196(8) . ?
Bi3 Rh3 2.7292(7) . ?
Bi3 Rh2 2.9373(7) . ?
Bi4 Rh3 2.7082(8) . ?
Bi4 Rh4 2.7419(7) . ?
Bi4 Rh1 2.9116(8) . ?
Rh1 C14 2.155(9) . ?
Rh1 C18 2.158(10) . ?
Rh1 C11 2.181(9) . ?
Rh1 C15 2.183(10) . ?
Rh1 Rh2 3.0798(10) . ?
Rh2 C25 2.154(9) . ?
Rh2 C21 2.167(9) . ?
Rh2 C28 2.170(10) . ?
Rh2 C24 2.182(8) . ?
Rh3 C38 2.170(10) . ?
Rh3 C34 2.179(9) . ?
Rh3 C35 2.183(9) . ?
Rh3 C31 2.190(10) . ?
Rh3 Rh4 3.0607(10) . ?
Rh4 C44 2.136(10) . ?
Rh4 C48 2.158(9) . ?
Rh4 C45 2.176(11) . ?
Rh4 C41 2.190(9) . ?
C11 C18 1.413(14) . ?
C11 C12 1.519(14) . ?
C11 H11 1.0000 . ?
C12 C13 1.502(16) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.499(15) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.403(15) . ?
C14 H14 1.0000 . ?
C15 C16 1.528(15) . ?
C15 H15 1.0000 . ?
C16 C17 1.562(16) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.495(14) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18 1.0000 . ?
C21 C28 1.394(13) . ?
C21 C22 1.504(12) . ?
C21 H21 1.0000 . ?
C22 C23 1.525(14) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.509(14) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.403(13) . ?
C24 H24 1.0000 . ?
C25 C26 1.510(15) . ?
C25 H25 1.0000 . ?
C26 C27 1.530(17) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.523(14) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28 1.0000 . ?
C31 C38 1.386(16) . ?
C31 C32 1.533(14) . ?
C31 H31 1.0000 . ?
C32 C33 1.496(17) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.513(15) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.420(15) . ?
C34 H34 1.0000 . ?
C35 C36 1.514(15) . ?
C35 H35 1.0000 . ?
C36 C37 1.490(16) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.515(16) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38 1.0000 . ?
C41 C48 1.407(13) . ?
C41 C42 1.491(13) . ?
C41 H41 1.0000 . ?
C42 C43 1.531(15) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.531(16) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.372(15) . ?
C44 H44 1.0000 . ?
C45 C46 1.505(14) . ?
C45 H45 1.0000 . ?
C46 C47 1.527(15) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.513(14) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48 1.0000 . ?
K1A O4A 2.753(7) . ?
K1A O13A 2.799(7) . ?
K1A O1A 2.803(7) . ?
K1A O16A 2.810(6) . ?
K1A O7A 2.810(6) . ?
K1A O10A 2.818(6) . ?
K1A N54B 2.87(4) . ?
K1A N31A 2.95(2) . ?
K1A N64B 2.99(5) . ?
K1A C42A 3.14(5) . ?
K1A N41A 3.20(7) . ?
O1A C2A 1.414(11) . ?
O1A C18A 1.429(11) . ?
C2A C3A 1.507(14) . ?
C2A H2A1 0.9900 . ?
C2A H2A2 0.9900 . ?
C3A O4A 1.426(10) . ?
C3A H3A1 0.9900 . ?
C3A H3A2 0.9900 . ?
O4A C5A 1.419(11) . ?
C5A C6A 1.465(13) . ?
C5A H5A1 0.9900 . ?
C5A H5A2 0.9900 . ?
C6A O7A 1.424(11) . ?
C6A H6A1 0.9900 . ?
C6A H6A2 0.9900 . ?
O7A C8A 1.417(10) . ?
C8A C9A 1.474(13) . ?
C8A H8A1 0.9900 . ?
C8A H8A2 0.9900 . ?
C9A O10A 1.439(10) . ?
C9A H9A1 0.9900 . ?
C9A H9A2 0.9900 . ?
O10A C11A 1.433(11) . ?
C11A C12A 1.469(13) . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
C12A O13A 1.450(11) . ?
C12A H12C 0.9900 . ?
C12A H12D 0.9900 . ?
O13A C14A 1.419(10) . ?
C14A C15A 1.498(13) . ?
C14A H14A 0.9900 . ?
C14A H14B 0.9900 . ?
C15A O16A 1.406(11) . ?
C15A H15A 0.9900 . ?
C15A H15B 0.9900 . ?
O16A C17A 1.431(10) . ?
C17A C18A 1.472(14) . ?
C17A H17C 0.9900 . ?
C17A H17D 0.9900 . ?
C18A H18C 0.9900 . ?
C18A H18D 0.9900 . ?
K1B O13B 2.728(14) . ?
K1B O27B 2.756(12) . ?
K1B O10B 2.762(15) . ?
K1B O24B 2.768(13) . ?
K1B O16B 2.792(15) . ?
K1B O7B 2.804(14) . ?
K1B O30B 2.804(13) . ?
K1B O21B 2.833(13) . ?
K1B O33B 2.835(12) . ?
K1B O36B 2.841(13) . ?
K1B N61B 2.86(3) . ?
K1B O4B 2.875(15) . ?
O1B C2B 1.423(14) . ?
O1B C18B 1.428(14) . ?
C2B C3B 1.514(16) . ?
C2B H2B1 0.9900 . ?
C2B H2B2 0.9900 . ?
C3B O4B 1.430(14) . ?
C3B H3B1 0.9900 . ?
C3B H3B2 0.9900 . ?
O4B C5B 1.426(14) . ?
C5B C6B 1.468(16) . ?
C5B H5B1 0.9900 . ?
C5B H5B2 0.9900 . ?
C6B O7B 1.419(14) . ?
C6B H6B1 0.9900 . ?
C6B H6B2 0.9900 . ?
O7B C8B 1.403(14) . ?
C8B C9B 1.469(16) . ?
C8B H8B1 0.9900 . ?
C8B H8B2 0.9900 . ?
C9B O10B 1.439(14) . ?
C9B H9B1 0.9900 . ?
C9B H9B2 0.9900 . ?
O10B C11B 1.437(14) . ?
C11B C12B 1.473(16) . ?
C11B H11C 0.9900 . ?
C11B H11D 0.9900 . ?
C12B O13B 1.451(14) . ?
C12B H12E 0.9900 . ?
C12B H12F 0.9900 . ?
O13B C14B 1.422(14) . ?
C14B C15B 1.497(15) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
C15B O16B 1.407(13) . ?
C15B H15C 0.9900 . ?
C15B H15D 0.9900 . ?
O16B C17B 1.424(13) . ?
C17B C18B 1.465(16) . ?
C17B H17E 0.9900 . ?
C17B H17F 0.9900 . ?
C18B H18E 0.9900 . ?
C18B H18F 0.9900 . ?
O21B C22B 1.421(13) . ?
O21B C38B 1.433(13) . ?
C22B C23B 1.509(16) . ?
C22B H22C 0.9900 . ?
C22B H22D 0.9900 . ?
C23B O24B 1.435(14) . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
O24B C25B 1.427(14) . ?
C25B C26B 1.467(16) . ?
C25B H25A 0.9900 . ?
C25B H25B 0.9900 . ?
C26B O27B 1.420(14) . ?
C26B H26C 0.9900 . ?
C26B H26D 0.9900 . ?
O27B C28B 1.405(14) . ?
C28B C29B 1.469(16) . ?
C28B H28A 0.9900 . ?
C28B H28B 0.9900 . ?
C29B O30B 1.437(13) . ?
C29B H29A 0.9900 . ?
C29B H29B 0.9900 . ?
O30B C31B 1.431(14) . ?
C31B C32B 1.475(16) . ?
C31B H31A 0.9900 . ?
C31B H31B 0.9900 . ?
C32B O33B 1.448(14) . ?
C32B H32C 0.9900 . ?
C32B H32D 0.9900 . ?
O33B C34B 1.427(13) . ?
C34B C35B 1.498(15) . ?
C34B H34A 0.9900 . ?
C34B H34B 0.9900 . ?
C35B O36B 1.404(13) . ?
C35B H35A 0.9900 . ?
C35B H35B 0.9900 . ?
O36B C37B 1.428(13) . ?
C37B C38B 1.466(15) . ?
C37B H37C 0.9900 . ?
C37B H37D 0.9900 . ?
C38B H38A 0.9900 . ?
C38B H38B 0.9900 . ?
N31A C32A 1.59(2) . ?
N31A H31C 0.9100 . ?
N31A H31D 0.9100 . ?
C32A C33A 1.35(2) . ?
C32A H32E 0.9900 . ?
C32A H32F 0.9900 . ?
C33A N34A 1.533(18) . ?
C33A H33C 0.9900 . ?
C33A H33D 0.9900 . ?
N34A H34C 0.9100 . ?
N34A H34D 0.9100 . ?
N41A C42A 1.58(2) . ?
N41A H41A 0.9100 . ?
N41A H41B 0.9100 . ?
C42A C43A 1.33(3) . ?
C42A H42C 0.9900 . ?
C42A H42D 0.9900 . ?
C43A N44A 1.57(2) . ?
C43A H43C 0.9900 . ?
C43A H43D 0.9900 . ?
N44A H44A 0.9100 . ?
N44A H44B 0.9100 . ?
N51B C52B 1.60(2) . ?
N51B H51C 0.9100 . ?
N51B H51D 0.9100 . ?
C52B C53B 1.33(2) . ?
C52B H52E 0.9900 . ?
C52B H52F 0.9900 . ?
C53B N54B 1.58(2) . ?
C53B H53E 0.9900 . ?
C53B H53F 0.9900 . ?
N54B H54C 0.9100 . ?
N54B H54D 0.9100 . ?
N61B C62B 1.60(2) . ?
N61B H61C 0.9100 . ?
N61B H61D 0.9100 . ?
C62B C63B 1.34(3) . ?
C62B H62E 0.9900 . ?
C62B H62F 0.9900 . ?
C63B N64B 1.58(2) . ?
C63B H63E 0.9900 . ?
C63B H63F 0.9900 . ?
N64B H64C 0.9100 . ?
N64B H64D 0.9100 . ?
C1C C2C 1.439(15) . ?
C1C H1C1 0.9800 . ?
C1C H1C2 0.9800 . ?
C1C H1C3 0.9800 . ?
C2C C3C 1.3900 . ?
C2C C7C 1.3900 . ?
C3C C4C 1.3900 . ?
C3C H3C 0.9500 . ?
C4C C5C 1.3900 . ?
C4C H4C 0.9500 . ?
C5C C6C 1.3900 . ?
C5C H5C 0.9500 . ?
C6C C7C 1.3900 . ?
C6C H6C 0.9500 . ?
C7C H7C 0.9500 . ?
C1D C2D 1.406(18) . ?
C1D H1D1 0.9800 . ?
C1D H1D2 0.9800 . ?
C1D H1D3 0.9800 . ?
C2D C3D 1.3900 . ?
C2D C7D 1.3900 . ?
C3D C4D 1.3900 . ?
C3D H3D 0.9500 . ?
C4D C5D 1.3900 . ?
C4D H4D 0.9500 . ?
C5D C6D 1.3900 . ?
C5D H5D 0.9500 . ?
C6D C7D 1.3900 . ?
C6D H6D 0.9500 . ?
C7D H7D 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N31A^a H31D^a O16A 0.91 2.63 3.12(2) 115.2 . yes
N41A^b H41A^b O21B^b 0.91 2.21 3.05(7) 153.4 1_455 yes
N64B^b H64D^b O30B^b 0.91 2.58 3.38(5) 147.1 . yes
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
C18 C11 C12 C13 -91.2(13) . . . . ?
Rh1 C11 C12 C13 -11.5(12) . . . . ?
C11 C12 C13 C14 30.7(15) . . . . ?
C12 C13 C14 C15 47.5(16) . . . . ?
C12 C13 C14 Rh1 -34.4(13) . . . . ?
C13 C14 C15 C16 3.2(17) . . . . ?
Rh1 C14 C15 C16 105.4(10) . . . . ?
C13 C14 C15 Rh1 -102.2(10) . . . . ?
C14 C15 C16 C17 -90.8(13) . . . . ?
Rh1 C15 C16 C17 -10.3(12) . . . . ?
C15 C16 C17 C18 26.8(13) . . . . ?
C12 C11 C18 C17 -1.8(15) . . . . ?
Rh1 C11 C18 C17 -105.4(10) . . . . ?
C12 C11 C18 Rh1 103.7(9) . . . . ?
C16 C17 C18 C11 52.2(13) . . . . ?
C16 C17 C18 Rh1 -30.7(11) . . . . ?
C28 C21 C22 C23 44.6(14) . . . . ?
Rh2 C21 C22 C23 -36.1(11) . . . . ?
C21 C22 C23 C24 33.5(13) . . . . ?
C22 C23 C24 C25 -94.2(11) . . . . ?
C22 C23 C24 Rh2 -14.1(11) . . . . ?
C23 C24 C25 C26 2.4(14) . . . . ?
Rh2 C24 C25 C26 -101.9(10) . . . . ?
C23 C24 C25 Rh2 104.3(8) . . . . ?
C24 C25 C26 C27 47.8(13) . . . . ?
Rh2 C25 C26 C27 -33.7(10) . . . . ?
C25 C26 C27 C28 28.2(12) . . . . ?
C22 C21 C28 C27 2.7(16) . . . . ?
Rh2 C21 C28 C27 104.0(10) . . . . ?
C22 C21 C28 Rh2 -101.3(9) . . . . ?
C26 C27 C28 C21 -90.1(12) . . . . ?
C26 C27 C28 Rh2 -8.5(10) . . . . ?
C38 C31 C32 C33 90.2(15) . . . . ?
Rh3 C31 C32 C33 9.8(15) . . . . ?
C31 C32 C33 C34 -28.2(18) . . . . ?
C32 C33 C34 C35 -47.6(16) . . . . ?
C32 C33 C34 Rh3 32.0(14) . . . . ?
C33 C34 C35 C36 -3.9(16) . . . . ?
Rh3 C34 C35 C36 -104.3(9) . . . . ?
C33 C34 C35 Rh3 100.4(10) . . . . ?
C34 C35 C36 C37 88.6(13) . . . . ?
Rh3 C35 C36 C37 7.2(13) . . . . ?
C35 C36 C37 C38 -27.1(15) . . . . ?
C32 C31 C38 C37 -4.1(17) . . . . ?
Rh3 C31 C38 C37 100.5(10) . . . . ?
C32 C31 C38 Rh3 -104.6(11) . . . . ?
C36 C37 C38 C31 -48.6(16) . . . . ?
C36 C37 C38 Rh3 32.9(12) . . . . ?
C48 C41 C42 C43 -45.3(14) . . . . ?
Rh4 C41 C42 C43 33.3(11) . . . . ?
C41 C42 C43 C44 -28.8(13) . . . . ?
C42 C43 C44 C45 93.7(12) . . . . ?
C42 C43 C44 Rh4 9.4(11) . . . . ?
C43 C44 C45 C46 -5.7(17) . . . . ?
Rh4 C44 C45 C46 100.6(11) . . . . ?
C43 C44 C45 Rh4 -106.3(10) . . . . ?
C44 C45 C46 C47 -43.9(15) . . . . ?
Rh4 C45 C46 C47 35.0(11) . . . . ?
C45 C46 C47 C48 -31.3(12) . . . . ?
C42 C41 C48 C47 -6.3(15) . . . . ?
Rh4 C41 C48 C47 -107.0(9) . . . . ?
C42 C41 C48 Rh4 100.7(10) . . . . ?
C46 C47 C48 C41 96.0(11) . . . . ?
C46 C47 C48 Rh4 12.0(10) . . . . ?
C18A O1A C2A C3A 178.8(9) . . . . ?
K1A O1A C2A C3A -53.1(10) . . . . ?
O1A C2A C3A O4A 67.3(12) . . . . ?
C2A C3A O4A C5A -176.7(10) . . . . ?
C2A C3A O4A K1A -46.2(11) . . . . ?
C3A O4A C5A C6A -171.4(10) . . . . ?
K1A O4A C5A C6A 56.6(11) . . . . ?
O4A C5A C6A O7A -65.4(13) . . . . ?
C5A C6A O7A C8A 172.1(9) . . . . ?
C5A C6A O7A K1A 40.7(12) . . . . ?
C6A O7A C8A C9A 175.8(9) . . . . ?
K1A O7A C8A C9A -52.3(9) . . . . ?
O7A C8A C9A O10A 62.8(11) . . . . ?
C8A C9A O10A C11A -174.8(8) . . . . ?
C8A C9A O10A K1A -41.9(10) . . . . ?
C9A O10A C11A C12A -178.0(9) . . . . ?
K1A O10A C11A C12A 48.1(10) . . . . ?
O10A C11A C12A O13A -65.3(12) . . . . ?
C11A C12A O13A C14A -175.6(9) . . . . ?
C11A C12A O13A K1A 49.4(10) . . . . ?
C12A O13A C14A C15A -174.4(9) . . . . ?
K1A O13A C14A C15A -40.4(10) . . . . ?
O13A C14A C15A O16A 66.2(11) . . . . ?
C14A C15A O16A C17A 174.6(8) . . . . ?
C14A C15A O16A K1A -57.6(9) . . . . ?
C15A O16A C17A C18A 175.0(9) . . . . ?
K1A O16A C17A C18A 47.9(10) . . . . ?
C2A O1A C18A C17A -180.0(9) . . . . ?
K1A O1A C18A C17A 52.6(10) . . . . ?
O16A C17A C18A O1A -68.6(12) . . . . ?
C18B O1B C2B C3B -177.2(19) . . . . ?
K1B O1B C2B C3B -49(2) . . . . ?
O1B C2B C3B O4B 70(2) . . . . ?
C2B C3B O4B C5B 175(2) . . . . ?
C2B C3B O4B K1B -55(2) . . . . ?
C3B O4B C5B C6B -179(2) . . . . ?
K1B O4B C5B C6B 51(2) . . . . ?
O4B C5B C6B O7B -62(3) . . . . ?
C5B C6B O7B C8B -175(2) . . . . ?
C5B C6B O7B K1B 44(2) . . . . ?
C6B O7B C8B C9B 177(2) . . . . ?
K1B O7B C8B C9B -40(2) . . . . ?
O7B C8B C9B O10B 67(3) . . . . ?
C8B C9B O10B C11B 176(2) . . . . ?
C8B C9B O10B K1B -59(2) . . . . ?
C9B O10B C11B C12B 177(2) . . . . ?
K1B O10B C11B C12B 52(2) . . . . ?
O10B C11B C12B O13B -66(3) . . . . ?
C11B C12B O13B C14B -178(2) . . . . ?
C11B C12B O13B K1B 46(2) . . . . ?
C12B O13B C14B C15B -179(2) . . . . ?
K1B O13B C14B C15B -44(2) . . . . ?
O13B C14B C15B O16B 64(3) . . . . ?
C14B C15B O16B C17B 174(2) . . . . ?
C14B C15B O16B K1B -52(2) . . . . ?
C15B O16B C17B C18B -179(2) . . . . ?
K1B O16B C17B C18B 47(2) . . . . ?
C2B O1B C18B C17B 179.0(19) . . . . ?
K1B O1B C18B C17B 49(2) . . . . ?
O16B C17B C18B O1B -66(3) . . . . ?
C38B O21B C22B C23B -174.0(18) . . . . ?
K1B O21B C22B C23B -44(2) . . . . ?
O21B C22B C23B O24B 66(2) . . . . ?
C22B C23B O24B C25B 174.4(18) . . . . ?
C22B C23B O24B K1B -54.7(19) . . . . ?
C23B O24B C25B C26B -179.8(18) . . . . ?
K1B O24B C25B C26B 49(2) . . . . ?
O24B C25B C26B O27B -63(2) . . . . ?
C25B C26B O27B C28B -174.9(18) . . . . ?
C25B C26B O27B K1B 45(2) . . . . ?
C26B O27B C28B C29B 178.8(18) . . . . ?
K1B O27B C28B C29B -41(2) . . . . ?
O27B C28B C29B O30B 66(2) . . . . ?
C28B C29B O30B C31B 177.9(17) . . . . ?
C28B C29B O30B K1B -55.1(19) . . . . ?
C29B O30B C31B C32B 178.5(18) . . . . ?
K1B O30B C31B C32B 53.2(19) . . . . ?
O30B C31B C32B O33B -67(2) . . . . ?
C31B C32B O33B C34B -178.3(17) . . . . ?
C31B C32B O33B K1B 45.9(19) . . . . ?
C32B O33B C34B C35B -178.6(17) . . . . ?
K1B O33B C34B C35B -43.7(19) . . . . ?
O33B C34B C35B O36B 65(2) . . . . ?
C34B C35B O36B C37B 171.5(17) . . . . ?
C34B C35B O36B K1B -54.5(19) . . . . ?
C35B O36B C37B C38B 177.4(18) . . . . ?
K1B O36B C37B C38B 44(2) . . . . ?
C22B O21B C38B C37B -177.6(17) . . . . ?
K1B O21B C38B C37B 52(2) . . . . ?
O36B C37B C38B O21B -65(2) . . . . ?
K1A N31A C32A C33A 44(2) . . . . ?
N31A C32A C33A N34A 59(3) . . . . ?
C32A C33A N34A K1B 48(3) . . . 1_455 ?
K1A N41A C42A C43A -121(4) . . . . ?
N41A C42A C43A N44A -63(7) . . . . ?
K1A C42A C43A N44A -154(4) . . . . ?
C42A C43A N44A K1B -26(6) . . . 1_455 ?
K1B N51B C52B C53B 81(3) . . . . ?
N51B C52B C53B N54B 25(5) . . . . ?
C52B C53B N54B K1A 156(3) . . . . ?
K1B N61B C62B C63B -98(3) . . . . ?
N61B C62B C63B N64B 82(5) . . . . ?
C62B C63B N64B K1A -177(3) . . . . ?
C7C C2C C3C C4C 0.0 . . . . ?
C1C C2C C3C C4C 178.4(10) . . . . ?
C2C C3C C4C C5C 0.0 . . . . ?
C3C C4C C5C C6C 0.0 . . . . ?
C4C C5C C6C C7C 0.0 . . . . ?
C5C C6C C7C C2C 0.0 . . . . ?
C3C C2C C7C C6C 0.0 . . . . ?
C1C C2C C7C C6C -178.5(10) . . . . ?
C7D C2D C3D C4D 0.0 . . . . ?
C1D C2D C3D C4D 178.2(12) . . . . ?
C2D C3D C4D C5D 0.0 . . . . ?
C3D C4D C5D C6D 0.0 . . . . ?
C4D C5D C6D C7D 0.0 . . . . ?
C5D C6D C7D C2D 0.0 . . . . ?
C3D C2D C7D C6D 0.0 . . . . ?
C1D C2D C7D C6D -178.1(13) . . . . ?
