# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 1884749'
loop_
_audit_author_name
_audit_author_address
'Zhenyu Li'
;Fujian Institute of Research on the Structure of Matter  Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-03-13 deposited with the CCDC.	2019-05-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H80 Bi7 K2 N4 O15 Rh3'
_chemical_formula_weight         2778.93

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.1779(6)
_cell_length_b                   14.2193(5)
_cell_length_c                   21.4955(11)
_cell_angle_alpha                99.2063(16)
_cell_angle_beta                 99.6216(19)
_cell_angle_gamma                117.2904(13)
_cell_volume                     3398.0(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9927
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      25.67

_exptl_crystal_description       Rod
_exptl_crystal_colour            Black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.716
_exptl_crystal_F_000             2516
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    18.941
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0096
_exptl_absorpt_correction_T_max  0.0443
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29882
_diffrn_reflns_av_unetI/netI     0.0764
_diffrn_reflns_av_R_equivalents  0.0535
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.293
_diffrn_reflns_theta_max         25.696
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             12751
_reflns_number_gt                10465
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²+0.1380P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12751
_refine_ls_number_parameters     695
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0557
_refine_ls_wR_factor_ref         0.1818
_refine_ls_wR_factor_gt          0.1647
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_restrained_S_all      1.155
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi6 Bi -0.00083(5) -0.08724(4) 0.10865(3) 0.03238(16) Uani 1 1 d . . . . .
Bi1 Bi 0.14017(5) 0.16074(5) 0.31425(3) 0.03324(16) Uani 1 1 d . . . . .
Bi3 Bi -0.04279(5) -0.10611(5) 0.24017(3) 0.03402(17) Uani 1 1 d . . . . .
Bi5 Bi 0.05220(5) 0.15903(4) 0.09257(3) 0.03224(16) Uani 1 1 d . . . . .
Bi2 Bi 0.03179(5) 0.28251(4) 0.21045(4) 0.03510(18) Uani 1 1 d . . . . .
Bi7 Bi 0.28990(6) 0.12758(5) 0.13687(4) 0.03505(17) Uani 1 1 d . . . . .
Bi4 Bi 0.39567(5) 0.21451(5) 0.28168(4) 0.03994(18) Uani 1 1 d . . . . .
Rh2 Rh -0.02527(10) 0.06695(9) 0.19294(6) 0.0269(3) Uani 1 1 d . . . . .
Rh3 Rh 0.17849(10) 0.02496(9) 0.22484(6) 0.0277(3) Uani 1 1 d . . . . .
Rh1 Rh 0.22248(10) 0.25036(9) 0.21546(6) 0.0267(3) Uani 1 1 d . . . . .
K1 K 0.7425(3) 0.2487(2) 0.49650(16) 0.0243(6) Uani 1 1 d . . . . .
K2 K 0.3352(3) 0.6443(2) 0.98429(18) 0.0279(7) Uani 1 1 d . . . . .
C2 C -0.1756(14) 0.0314(11) 0.1932(9) 0.031(4) Uani 1 1 d . . . . .
O2 O -0.2717(9) 0.0115(8) 0.1923(7) 0.041(3) Uani 1 1 d . . . . .
N2 N 0.7608(12) 0.1217(9) 0.3800(7) 0.030(3) Uani 1 1 d . . . . .
N1 N 0.7401(11) 0.3714(9) 0.6205(7) 0.031(3) Uani 1 1 d . . . . .
N4 N 0.3895(10) 0.7182(9) 1.1305(7) 0.030(3) Uani 1 1 d . . . . .
N3 N 0.2719(12) 0.5627(11) 0.8370(7) 0.034(3) Uani 1 1 d . . . . .
C1 C 0.3186(12) 0.3952(12) 0.2307(9) 0.032(4) Uani 1 1 d . . . . .
C3 C 0.2220(13) -0.0734(12) 0.2361(9) 0.033(4) Uani 1 1 d . . . . .
O3 O 0.2556(9) -0.1372(8) 0.2466(7) 0.037(3) Uani 1 1 d . . . . .
O1 O 0.3780(10) 0.4930(9) 0.2413(7) 0.042(3) Uani 1 1 d . . . . .
O7 O 0.8481(10) 0.3618(8) 0.4090(6) 0.031(2) Uani 1 1 d . . . . .
O4 O 0.5263(8) 0.1767(7) 0.5266(5) 0.025(2) Uani 1 1 d . . . . .
O6 O 0.7960(9) 0.4675(7) 0.5117(6) 0.027(2) Uani 1 1 d . . . . .
O5 O 0.5369(9) 0.0850(7) 0.4044(6) 0.030(2) Uani 1 1 d . . . . .
O8 O 0.9190(11) 0.3018(9) 0.6121(7) 0.050(4) Uani 1 1 d . . . . .
O9 O 0.8325(11) 0.0988(11) 0.5126(7) 0.046(3) Uani 1 1 d . . . . .
O11 O 0.1332(9) 0.4333(8) 0.9158(6) 0.032(2) Uani 1 1 d . . . . .
O10 O 0.1727(10) 0.5208(8) 1.0505(6) 0.034(2) Uani 1 1 d . . . . .
O13 O 0.2821(10) 0.7628(8) 0.9054(6) 0.036(3) Uani 1 1 d . . . . .
O12 O 0.3647(11) 0.8527(9) 1.0418(6) 0.038(3) Uani 1 1 d . . . . .
O14 O 0.5499(10) 0.6690(9) 1.0631(7) 0.039(3) Uani 1 1 d . . . . .
O15 O 0.5005(10) 0.6234(9) 0.9259(7) 0.041(3) Uani 1 1 d . . . . .
C36 C 0.0407(12) 0.3961(11) 0.9482(9) 0.035(4) Uani 1 1 d . . . . .
H36A H -0.019500 0.318272 0.926216 0.042 Uiso 1 1 calc R U . . .
H36B H 0.001099 0.440726 0.946945 0.042 Uiso 1 1 calc R U . . .
C37 C 0.0973(15) 0.4082(12) 1.0181(10) 0.040(4) Uani 1 1 d . . . . .
H37A H 0.035136 0.374902 1.040583 0.048 Uiso 1 1 calc R U . . .
H37B H 0.143674 0.369673 1.019002 0.048 Uiso 1 1 calc R U . . .
C19 C 0.4277(12) 0.1323(12) 0.4696(9) 0.031(3) Uani 1 1 d . . . . .
H19A H 0.434017 0.190700 0.448189 0.037 Uiso 1 1 calc R U . . .
H19B H 0.352450 0.103051 0.482360 0.037 Uiso 1 1 calc R U . . .
C18 C 0.4284(15) 0.0429(14) 0.4236(10) 0.039(4) Uani 1 1 d . . . . .
H18A H 0.420572 -0.015888 0.444983 0.046 Uiso 1 1 calc R U . . .
H18B H 0.359947 0.010695 0.384276 0.046 Uiso 1 1 calc R U . . .
C4 C 0.8441(10) 0.1997(11) 0.3515(8) 0.025(3) Uani 1 1 d . . . . .
H4A H 0.837517 0.160018 0.307396 0.029 Uiso 1 1 calc R U . . .
H4B H 0.925906 0.229193 0.378911 0.029 Uiso 1 1 calc R U . . .
C8 C 0.8360(15) 0.5341(12) 0.5764(10) 0.037(4) Uani 1 1 d . . . . .
H8A H 0.842775 0.606340 0.576219 0.045 Uiso 1 1 calc R U . . .
H8B H 0.915131 0.546502 0.598226 0.045 Uiso 1 1 calc R U . . .
C35 C 0.0874(14) 0.4182(12) 0.8491(8) 0.034(4) Uani 1 1 d . . . . .
H35A H 0.052806 0.466274 0.843973 0.041 Uiso 1 1 calc R U . . .
H35B H 0.023441 0.341033 0.829063 0.041 Uiso 1 1 calc R U . . .
C28 C 0.3815(15) 0.5781(15) 0.8184(10) 0.042(4) Uani 1 1 d . . . . .
H28A H 0.428135 0.655253 0.817016 0.050 Uiso 1 1 calc R U . . .
H28B H 0.358033 0.530395 0.773665 0.050 Uiso 1 1 calc R U . . .
C32 C 0.5885(15) 0.7414(14) 1.1282(10) 0.043(5) Uani 1 1 d . . . . .
H32A H 0.656686 0.740312 1.154885 0.052 Uiso 1 1 calc R U . . .
H32B H 0.615569 0.817535 1.125099 0.052 Uiso 1 1 calc R U . . .
C26 C 0.3471(18) 0.8642(13) 1.1071(9) 0.042(4) Uani 1 1 d . . . . .
H26A H 0.262201 0.816183 1.103839 0.050 Uiso 1 1 calc R U . . .
H26B H 0.368108 0.941098 1.126018 0.050 Uiso 1 1 calc R U . . .
C31 C 0.6424(13) 0.7057(13) 1.0306(10) 0.042(5) Uani 1 1 d . . . . .
H31A H 0.714863 0.711262 1.057325 0.051 Uiso 1 1 calc R U . . .
H31B H 0.662049 0.779151 1.024696 0.051 Uiso 1 1 calc R U . . .
C30 C 0.6001(14) 0.6250(12) 0.9657(10) 0.037(4) Uani 1 1 d . . . . .
H30A H 0.664693 0.645805 0.943807 0.044 Uiso 1 1 calc R U . . .
H30B H 0.576862 0.550911 0.971594 0.044 Uiso 1 1 calc R U . . .
C27 C 0.4200(14) 0.8348(12) 1.1512(9) 0.034(4) Uani 1 1 d . . . . .
H27A H 0.410523 0.850292 1.195760 0.041 Uiso 1 1 calc R U . . .
H27B H 0.504593 0.882286 1.153623 0.041 Uiso 1 1 calc R U . . .
C23 C 0.2947(17) 0.7486(14) 0.8405(10) 0.044(4) Uani 1 1 d . . . . .
H23A H 0.379607 0.780380 0.841664 0.053 Uiso 1 1 calc R U . . .
H23B H 0.261191 0.785831 0.815870 0.053 Uiso 1 1 calc R U . . .
C39 C 0.2901(14) 0.6540(14) 1.1523(9) 0.037(4) Uani 1 1 d . . . . .
H39A H 0.236398 0.685001 1.148195 0.044 Uiso 1 1 calc R U . . .
H39B H 0.318434 0.661395 1.199434 0.044 Uiso 1 1 calc R U . . .
C34 C 0.1829(16) 0.4448(12) 0.8144(10) 0.039(4) Uani 1 1 d . . . . .
H34A H 0.222129 0.401263 0.822610 0.046 Uiso 1 1 calc R U . . .
H34B H 0.146869 0.424291 0.766553 0.046 Uiso 1 1 calc R U . . .
C20 C 0.5240(15) 0.2554(12) 0.5774(10) 0.040(5) Uani 1 1 d . . . . .
H20A H 0.450067 0.218681 0.590844 0.048 Uiso 1 1 calc R U . . .
H20B H 0.523582 0.315409 0.559792 0.048 Uiso 1 1 calc R U . . .
C17 C 0.5462(15) 0.0041(12) 0.3628(9) 0.035(4) Uani 1 1 d . . . . .
H17A H 0.469479 -0.044664 0.329022 0.042 Uiso 1 1 calc R U . . .
H17B H 0.563184 -0.041311 0.388589 0.042 Uiso 1 1 calc R U . . .
C21 C 0.6291(13) 0.3031(12) 0.6363(8) 0.033(4) Uani 1 1 d . . . . .
H21A H 0.618946 0.348358 0.672109 0.039 Uiso 1 1 calc R U . . .
H21B H 0.633669 0.242814 0.651716 0.039 Uiso 1 1 calc R U . . .
C16 C 0.6412(12) 0.0534(12) 0.3303(9) 0.033(4) Uani 1 1 d . . . . .
H16A H 0.625369 0.100150 0.305269 0.040 Uiso 1 1 calc R U . . .
H16B H 0.641567 -0.005678 0.299099 0.040 Uiso 1 1 calc R U . . .
C10 C 0.8025(15) 0.0453(12) 0.3958(9) 0.036(4) Uani 1 1 d . . . . .
H10A H 0.839924 0.029976 0.362207 0.043 Uiso 1 1 calc R U . . .
H10B H 0.733664 -0.025145 0.394862 0.043 Uiso 1 1 calc R U . . .
C11 C 0.8901(16) 0.0927(14) 0.4619(11) 0.047(5) Uani 1 1 d . . . . .
H11A H 0.926214 0.046094 0.468206 0.056 Uiso 1 1 calc R U . . .
H11B H 0.954224 0.167113 0.464803 0.056 Uiso 1 1 calc R U . . .
C9 C 0.7489(14) 0.4771(11) 0.6122(9) 0.035(4) Uani 1 1 d . . . . .
H9A H 0.669662 0.462051 0.588352 0.042 Uiso 1 1 calc R U . . .
H9B H 0.771413 0.526996 0.656117 0.042 Uiso 1 1 calc R U . . .
C6 C 0.8275(13) 0.4509(12) 0.4049(9) 0.033(4) Uani 1 1 d . . . . .
H6A H 0.742172 0.422049 0.384370 0.040 Uiso 1 1 calc R U . . .
H6B H 0.873428 0.492759 0.377198 0.040 Uiso 1 1 calc R U . . .
C5 C 0.8244(14) 0.2941(13) 0.3454(9) 0.035(4) Uani 1 1 d . . . . .
H5A H 0.877271 0.338514 0.321108 0.043 Uiso 1 1 calc R U . . .
H5B H 0.741229 0.265700 0.320397 0.043 Uiso 1 1 calc R U . . .
C7 C 0.8633(15) 0.5244(12) 0.4710(9) 0.038(4) Uani 1 1 d . . . . .
H7A H 0.948765 0.553704 0.491311 0.045 Uiso 1 1 calc R U . . .
H7B H 0.851192 0.587333 0.467456 0.045 Uiso 1 1 calc R U . . .
C25 C 0.2969(19) 0.8848(16) 0.9991(10) 0.053(5) Uani 1 1 d . . . . .
H25A H 0.316236 0.960845 1.019090 0.063 Uiso 1 1 calc R U . . .
H25B H 0.210813 0.835221 0.991962 0.063 Uiso 1 1 calc R U . . .
C22 C 0.2281(19) 0.6264(15) 0.8080(10) 0.047(5) Uani 1 1 d . . . . .
H22A H 0.144129 0.597084 0.808411 0.057 Uiso 1 1 calc R U . . .
H22B H 0.229739 0.615170 0.761636 0.057 Uiso 1 1 calc R U . . .
C29 C 0.4597(17) 0.5527(16) 0.8639(10) 0.045(5) Uani 1 1 d . . . . .
H29A H 0.414202 0.475763 0.865961 0.054 Uiso 1 1 calc R U . . .
H29B H 0.527928 0.560750 0.847054 0.054 Uiso 1 1 calc R U . . .
C33 C 0.4960(14) 0.7098(14) 1.1598(10) 0.043(5) Uani 1 1 d . . . . .
H33A H 0.530332 0.755650 1.205788 0.052 Uiso 1 1 calc R U . . .
H33B H 0.468153 0.632696 1.160906 0.052 Uiso 1 1 calc R U . . .
C24 C 0.328(2) 0.8778(14) 0.9365(10) 0.051(5) Uani 1 1 d . . . . .
H24A H 0.291746 0.909175 0.908023 0.061 Uiso 1 1 calc R U . . .
H24B H 0.414924 0.919602 0.944204 0.061 Uiso 1 1 calc R U . . .
C38 C 0.2192(18) 0.5332(15) 1.1166(10) 0.047(5) Uani 1 1 d . . . . .
H38A H 0.270852 0.500102 1.120637 0.056 Uiso 1 1 calc R U . . .
H38B H 0.153775 0.495042 1.136147 0.056 Uiso 1 1 calc R U . . .
C15 C 0.8426(18) 0.3922(16) 0.6737(9) 0.048(5) Uani 1 1 d . . . . .
H15A H 0.824322 0.401126 0.716381 0.057 Uiso 1 1 calc R U . . .
H15B H 0.913559 0.461481 0.675299 0.057 Uiso 1 1 calc R U . . .
C12 C 0.9012(18) 0.1234(14) 0.5777(10) 0.049(5) Uani 1 1 d . . . . .
H12A H 0.847152 0.093261 0.605085 0.059 Uiso 1 1 calc R U . . .
H12B H 0.949591 0.086833 0.577056 0.059 Uiso 1 1 calc R U . . .
C14 C 0.8699(16) 0.2993(13) 0.6633(11) 0.050(5) Uani 1 1 d . . . . .
H14A H 0.925771 0.307310 0.703443 0.060 Uiso 1 1 calc R U . . .
H14B H 0.795986 0.227946 0.653689 0.060 Uiso 1 1 calc R U . . .
C13 C 0.9777(16) 0.2384(15) 0.6063(11) 0.048(5) Uani 1 1 d . U . . .
H13A H 1.033669 0.267030 0.579557 0.058 Uiso 1 1 calc R U . . .
H13B H 1.025161 0.249742 0.650484 0.058 Uiso 1 1 calc R U . . .
C46 C 0.683(2) 0.6907(18) 0.3054(12) 0.059(6) Uani 1 1 d . . . . .
H46A H 0.698030 0.637417 0.279381 0.089 Uiso 1 1 calc R U . . .
H46B H 0.746143 0.765413 0.309488 0.089 Uiso 1 1 calc R U . . .
H46C H 0.606301 0.681081 0.283515 0.089 Uiso 1 1 calc R U . . .
C44 C 0.6130(14) 0.5741(14) 0.3830(12) 0.047(5) Uani 1 1 d . . . . .
H44 H 0.568018 0.513143 0.345376 0.056 Uiso 1 1 calc R U . . .
C43 C 0.6020(18) 0.5544(17) 0.4406(12) 0.056(5) Uani 1 1 d . . . . .
H43 H 0.547048 0.484386 0.444145 0.067 Uiso 1 1 calc R U . . .
C42 C 0.675(2) 0.6420(19) 0.4948(13) 0.066(7) Uani 1 1 d . . . . .
H42 H 0.672967 0.632200 0.537293 0.079 Uiso 1 1 calc R U . . .
C40 C 0.7571(19) 0.7585(15) 0.4297(12) 0.055(6) Uani 1 1 d . . . . .
H40 H 0.812514 0.828651 0.426591 0.066 Uiso 1 1 calc R U . . .
C41 C 0.750(2) 0.7404(17) 0.4886(12) 0.054(5) Uani 1 1 d . . . . .
H41 H 0.798354 0.799343 0.526915 0.065 Uiso 1 1 calc R U . . .
C45 C 0.6822(17) 0.6727(17) 0.3727(12) 0.055(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Bi6 Rh3 2.7680(14) . ?
Bi6 Rh2 2.7866(12) . ?
Bi6 Bi3 2.9999(10) . ?
Bi6 Bi5 3.3309(8) . ?
Bi6 Bi7 3.5036(8) . ?
Bi1 Rh2 2.7661(15) . ?
Bi1 Rh1 2.7709(14) . ?
Bi1 Rh3 2.7762(13) . ?
Bi1 Bi4 3.3180(9) . ?
Bi1 Bi3 3.3377(8) . ?
Bi1 Bi2 3.5291(10) . ?
Bi3 Rh2 2.7379(14) . ?
Bi3 Rh3 2.7603(12) . ?
Bi5 Rh2 2.7976(14) . ?
Bi5 Rh1 2.8194(14) . ?
Bi5 Bi2 2.9687(9) . ?
Bi5 Bi7 3.3679(9) . ?
Bi2 Rh1 2.7412(13) . ?
Bi2 Rh2 2.7432(12) . ?
Bi7 Rh1 2.7697(12) . ?
Bi7 Rh3 2.7761(14) . ?
Bi7 Bi4 2.9831(11) . ?
Bi4 Rh3 2.7662(13) . ?
Bi4 Rh1 2.7763(14) . ?
Rh2 C2 1.807(15) . ?
Rh2 Rh1 2.9925(16) . ?
Rh2 Rh3 3.0037(17) . ?
Rh3 C3 1.772(17) . ?
Rh3 Rh1 3.0318(16) . ?
Rh1 C1 1.791(15) . ?
K1 O5 2.762(11) . ?
K1 O4 2.781(10) . ?
K1 O7 2.803(11) . ?
K1 O6 2.805(9) . ?
K1 O8 2.831(14) . ?
K1 O9 2.913(11) . ?
K1 N1 2.956(13) . ?
K1 N2 2.957(13) . ?
K2 O15 2.792(11) . ?
K2 O13 2.793(13) . ?
K2 O10 2.840(12) . ?
K2 O12 2.841(10) . ?
K2 O11 2.865(11) . ?
K2 O14 2.880(13) . ?
K2 N4 2.999(15) . ?
K2 N3 3.020(15) . ?
C2 O2 1.161(18) . ?
N2 C4 1.463(19) . ?
N2 C10 1.48(2) . ?
N2 C16 1.51(2) . ?
N1 C21 1.472(19) . ?
N1 C15 1.49(2) . ?
N1 C9 1.50(2) . ?
N4 C39 1.42(2) . ?
N4 C27 1.484(18) . ?
N4 C33 1.504(18) . ?
N3 C22 1.44(2) . ?
N3 C34 1.47(2) . ?
N3 C28 1.49(2) . ?
C1 O1 1.199(18) . ?
C3 O3 1.212(19) . ?
O7 C6 1.424(16) . ?
O7 C5 1.43(2) . ?
O4 C19 1.434(19) . ?
O4 C20 1.448(16) . ?
O6 C8 1.41(2) . ?
O6 C7 1.426(18) . ?
O5 C17 1.405(17) . ?
O5 C18 1.436(17) . ?
O8 C14 1.36(2) . ?
O8 C13 1.44(2) . ?
O9 C12 1.42(2) . ?
O9 C11 1.44(2) . ?
O11 C35 1.40(2) . ?
O11 C36 1.436(19) . ?
O10 C38 1.40(2) . ?
O10 C37 1.410(19) . ?
O13 C23 1.43(2) . ?
O13 C24 1.449(19) . ?
O12 C25 1.44(2) . ?
O12 C26 1.46(2) . ?
O14 C31 1.44(2) . ?
O14 C32 1.45(2) . ?
O15 C29 1.38(2) . ?
O15 C30 1.43(2) . ?
C36 C37 1.51(3) . ?
C19 C18 1.49(2) . ?
C4 C5 1.50(2) . ?
C8 C9 1.49(2) . ?
C35 C34 1.50(2) . ?
C28 C29 1.51(3) . ?
C32 C33 1.42(3) . ?
C26 C27 1.48(2) . ?
C31 C30 1.49(2) . ?
C23 C22 1.51(2) . ?
C39 C38 1.51(2) . ?
C20 C21 1.50(2) . ?
C17 C16 1.48(2) . ?
C10 C11 1.50(3) . ?
C6 C7 1.48(2) . ?
C25 C24 1.47(3) . ?
C15 C14 1.51(3) . ?
C12 C13 1.42(2) . ?
C46 C45 1.51(3) . ?
C44 C43 1.33(3) . ?
C44 C45 1.36(3) . ?
C43 C42 1.38(3) . ?
C42 C41 1.33(3) . ?
C40 C41 1.34(3) . ?
C40 C45 1.41(3) . ?

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
Rh3 Bi6 Rh2 65.47(4) . . ?
Rh3 Bi6 Bi3 57.01(3) . . ?
Rh2 Bi6 Bi3 56.33(3) . . ?
Rh3 Bi6 Bi5 86.25(3) . . ?
Rh2 Bi6 Bi5 53.53(3) . . ?
Bi3 Bi6 Bi5 109.23(2) . . ?
Rh3 Bi6 Bi7 50.91(3) . . ?
Rh2 Bi6 Bi7 84.50(3) . . ?
Bi3 Bi6 Bi7 107.08(2) . . ?
Bi5 Bi6 Bi7 58.982(17) . . ?
Rh2 Bi1 Rh1 65.43(4) . . ?
Rh2 Bi1 Rh3 65.63(4) . . ?
Rh1 Bi1 Rh3 66.26(4) . . ?
Rh2 Bi1 Bi4 104.71(3) . . ?
Rh1 Bi1 Bi4 53.34(3) . . ?
Rh3 Bi1 Bi4 53.09(3) . . ?
Rh2 Bi1 Bi3 52.29(3) . . ?
Rh1 Bi1 Bi3 104.43(3) . . ?
Rh3 Bi1 Bi3 52.71(3) . . ?
Bi4 Bi1 Bi3 104.74(2) . . ?
Rh2 Bi1 Bi2 49.88(3) . . ?
Rh1 Bi1 Bi2 49.82(3) . . ?
Rh3 Bi1 Bi2 101.00(3) . . ?
Bi4 Bi1 Bi2 102.53(2) . . ?
Bi3 Bi1 Bi2 101.45(2) . . ?
Rh2 Bi3 Rh3 66.22(4) . . ?
Rh2 Bi3 Bi6 57.89(3) . . ?
Rh3 Bi3 Bi6 57.26(3) . . ?
Rh2 Bi3 Bi1 53.05(3) . . ?
Rh3 Bi3 Bi1 53.14(3) . . ?
Bi6 Bi3 Bi1 94.40(2) . . ?
Rh2 Bi5 Rh1 64.38(4) . . ?
Rh2 Bi5 Bi2 56.72(3) . . ?
Rh1 Bi5 Bi2 56.46(3) . . ?
Rh2 Bi5 Bi6 53.23(3) . . ?
Rh1 Bi5 Bi6 87.54(3) . . ?
Bi2 Bi5 Bi6 109.61(3) . . ?
Rh2 Bi5 Bi7 86.95(3) . . ?
Rh1 Bi5 Bi7 52.27(3) . . ?
Bi2 Bi5 Bi7 108.43(3) . . ?
Bi6 Bi5 Bi7 63.067(18) . . ?
Rh1 Bi2 Rh2 66.14(3) . . ?
Rh1 Bi2 Bi5 59.02(3) . . ?
Rh2 Bi2 Bi5 58.49(3) . . ?
Rh1 Bi2 Bi1 50.56(3) . . ?
Rh2 Bi2 Bi1 50.45(3) . . ?
Bi5 Bi2 Bi1 92.39(2) . . ?
Rh1 Bi7 Rh3 66.28(4) . . ?
Rh1 Bi7 Bi4 57.57(3) . . ?
Rh3 Bi7 Bi4 57.28(3) . . ?
Rh1 Bi7 Bi5 53.62(3) . . ?
Rh3 Bi7 Bi5 85.40(3) . . ?
Bi4 Bi7 Bi5 110.21(2) . . ?
Rh1 Bi7 Bi6 84.94(3) . . ?
Rh3 Bi7 Bi6 50.70(3) . . ?
Bi4 Bi7 Bi6 107.28(2) . . ?
Bi5 Bi7 Bi6 57.951(17) . . ?
Rh3 Bi4 Rh1 66.32(4) . . ?
Rh3 Bi4 Bi7 57.60(3) . . ?
Rh1 Bi4 Bi7 57.35(3) . . ?
Rh3 Bi4 Bi1 53.36(3) . . ?
Rh1 Bi4 Bi1 53.19(3) . . ?
Bi7 Bi4 Bi1 94.46(2) . . ?
C2 Rh2 Bi3 91.9(5) . . ?
C2 Rh2 Bi2 89.1(4) . . ?
Bi3 Rh2 Bi2 151.88(6) . . ?
C2 Rh2 Bi1 116.0(6) . . ?
Bi3 Rh2 Bi1 74.66(4) . . ?
Bi2 Rh2 Bi1 79.67(4) . . ?
C2 Rh2 Bi6 115.9(4) . . ?
Bi3 Rh2 Bi6 65.77(3) . . ?
Bi2 Rh2 Bi6 137.42(5) . . ?
Bi1 Rh2 Bi6 113.96(4) . . ?
C2 Rh2 Bi5 115.3(6) . . ?
Bi3 Rh2 Bi5 137.82(4) . . ?
Bi2 Rh2 Bi5 64.79(3) . . ?
Bi1 Rh2 Bi5 115.50(4) . . ?
Bi6 Rh2 Bi5 73.24(3) . . ?
C2 Rh2 Rh1 145.6(4) . . ?
Bi3 Rh2 Rh1 115.20(5) . . ?
Bi2 Rh2 Rh1 56.90(3) . . ?
Bi1 Rh2 Rh1 57.36(4) . . ?
Bi6 Rh2 Rh1 95.22(4) . . ?
Bi5 Rh2 Rh1 58.16(4) . . ?
C2 Rh2 Rh3 149.0(5) . . ?
Bi3 Rh2 Rh3 57.24(3) . . ?
Bi2 Rh2 Rh3 116.50(4) . . ?
Bi1 Rh2 Rh3 57.35(4) . . ?
Bi6 Rh2 Rh3 56.97(3) . . ?
Bi5 Rh2 Rh3 92.39(4) . . ?
Rh1 Rh2 Rh3 60.74(4) . . ?
C3 Rh3 Bi3 91.5(5) . . ?
C3 Rh3 Bi4 99.0(5) . . ?
Bi3 Rh3 Bi4 145.03(5) . . ?
C3 Rh3 Bi6 101.6(5) . . ?
Bi3 Rh3 Bi6 65.73(3) . . ?
Bi4 Rh3 Bi6 142.01(5) . . ?
C3 Rh3 Bi7 107.2(5) . . ?
Bi3 Rh3 Bi7 142.28(6) . . ?
Bi4 Rh3 Bi7 65.13(3) . . ?
Bi6 Rh3 Bi7 78.39(4) . . ?
C3 Rh3 Bi1 130.0(6) . . ?
Bi3 Rh3 Bi1 74.15(3) . . ?
Bi4 Rh3 Bi1 73.55(3) . . ?
Bi6 Rh3 Bi1 114.23(4) . . ?
Bi7 Rh3 Bi1 113.03(4) . . ?
C3 Rh3 Rh2 146.2(5) . . ?
Bi3 Rh3 Rh2 56.53(3) . . ?
Bi4 Rh3 Rh2 113.57(4) . . ?
Bi6 Rh3 Rh2 57.56(3) . . ?
Bi7 Rh3 Rh2 94.95(5) . . ?
Bi1 Rh3 Rh2 57.02(3) . . ?
C3 Rh3 Rh1 154.4(5) . . ?
Bi3 Rh3 Rh1 113.29(4) . . ?
Bi4 Rh3 Rh1 57.00(3) . . ?
Bi6 Rh3 Rh1 94.73(5) . . ?
Bi7 Rh3 Rh1 56.76(3) . . ?
Bi1 Rh3 Rh1 56.79(3) . . ?
Rh2 Rh3 Rh1 59.45(4) . . ?
C1 Rh1 Bi2 90.0(4) . . ?
C1 Rh1 Bi7 112.4(5) . . ?
Bi2 Rh1 Bi7 138.05(5) . . ?
C1 Rh1 Bi1 121.1(6) . . ?
Bi2 Rh1 Bi1 79.62(4) . . ?
Bi7 Rh1 Bi1 113.40(4) . . ?
C1 Rh1 Bi4 94.9(5) . . ?
Bi2 Rh1 Bi4 151.07(6) . . ?
Bi7 Rh1 Bi4 65.08(3) . . ?
Bi1 Rh1 Bi4 73.47(4) . . ?
C1 Rh1 Bi5 111.9(6) . . ?
Bi2 Rh1 Bi5 64.52(3) . . ?
Bi7 Rh1 Bi5 74.10(4) . . ?
Bi1 Rh1 Bi5 114.64(4) . . ?
Bi4 Rh1 Bi5 137.42(4) . . ?
C1 Rh1 Rh2 146.9(4) . . ?
Bi2 Rh1 Rh2 56.96(3) . . ?
Bi7 Rh1 Rh2 95.34(4) . . ?
Bi1 Rh1 Rh2 57.21(4) . . ?
Bi4 Rh1 Rh2 113.62(5) . . ?
Bi5 Rh1 Rh2 57.46(4) . . ?
C1 Rh1 Rh3 151.5(5) . . ?
Bi2 Rh1 Rh3 115.65(4) . . ?
Bi7 Rh1 Rh3 56.96(3) . . ?
Bi1 Rh1 Rh3 56.95(3) . . ?
Bi4 Rh1 Rh3 56.68(3) . . ?
Bi5 Rh1 Rh3 91.38(4) . . ?
Rh2 Rh1 Rh3 59.81(4) . . ?
O5 K1 O4 60.6(3) . . ?
O5 K1 O7 96.6(3) . . ?
O4 K1 O7 135.9(3) . . ?
O5 K1 O6 118.5(3) . . ?
O4 K1 O6 95.7(3) . . ?
O7 K1 O6 60.6(3) . . ?
O5 K1 O8 146.2(4) . . ?
O4 K1 O8 108.2(4) . . ?
O7 K1 O8 109.7(4) . . ?
O6 K1 O8 93.3(3) . . ?
O5 K1 O9 92.2(4) . . ?
O4 K1 O9 110.9(4) . . ?
O7 K1 O9 106.9(3) . . ?
O6 K1 O9 147.0(4) . . ?
O8 K1 O9 60.6(3) . . ?
O5 K1 N1 122.4(3) . . ?
O4 K1 N1 62.3(3) . . ?
O7 K1 N1 119.9(3) . . ?
O6 K1 N1 60.9(3) . . ?
O8 K1 N1 61.6(4) . . ?
O9 K1 N1 114.2(4) . . ?
O5 K1 N2 61.0(3) . . ?
O4 K1 N2 120.3(3) . . ?
O7 K1 N2 62.1(3) . . ?
O6 K1 N2 122.1(3) . . ?
O8 K1 N2 113.1(4) . . ?
O9 K1 N2 60.7(4) . . ?
N1 K1 N2 174.6(4) . . ?
O15 K2 O13 97.0(4) . . ?
O15 K2 O10 136.1(3) . . ?
O13 K2 O10 121.0(3) . . ?
O15 K2 O12 122.0(4) . . ?
O13 K2 O12 59.7(3) . . ?
O10 K2 O12 97.4(3) . . ?
O15 K2 O11 98.0(3) . . ?
O13 K2 O11 96.8(4) . . ?
O10 K2 O11 59.3(3) . . ?
O12 K2 O11 134.0(3) . . ?
O15 K2 O14 59.4(4) . . ?
O13 K2 O14 135.1(4) . . ?
O10 K2 O14 99.2(4) . . ?
O12 K2 O14 98.7(4) . . ?
O11 K2 O14 122.3(3) . . ?
O15 K2 N4 120.7(4) . . ?
O13 K2 N4 120.6(3) . . ?
O10 K2 N4 59.7(3) . . ?
O12 K2 N4 61.5(3) . . ?
O11 K2 N4 118.4(4) . . ?
O14 K2 N4 61.7(3) . . ?
O15 K2 N3 60.6(4) . . ?
O13 K2 N3 60.1(3) . . ?
O10 K2 N3 118.2(4) . . ?
O12 K2 N3 119.5(4) . . ?
O11 K2 N3 59.5(4) . . ?
O14 K2 N3 119.4(4) . . ?
N4 K2 N3 177.9(4) . . ?
O2 C2 Rh2 177.6(14) . . ?
C4 N2 C10 109.3(11) . . ?
C4 N2 C16 109.4(13) . . ?
C10 N2 C16 107.2(11) . . ?
C4 N2 K1 108.0(8) . . ?
C10 N2 K1 112.8(10) . . ?
C16 N2 K1 110.2(8) . . ?
C21 N1 C15 108.8(14) . . ?
C21 N1 C9 111.0(12) . . ?
C15 N1 C9 110.9(13) . . ?
C21 N1 K1 108.6(8) . . ?
C15 N1 K1 108.5(10) . . ?
C9 N1 K1 108.9(9) . . ?
C39 N4 C27 108.3(12) . . ?
C39 N4 C33 111.7(14) . . ?
C27 N4 C33 108.3(11) . . ?
C39 N4 K2 110.9(9) . . ?
C27 N4 K2 109.9(10) . . ?
C33 N4 K2 107.6(10) . . ?
C22 N3 C34 111.0(15) . . ?
C22 N3 C28 110.0(14) . . ?
C34 N3 C28 108.3(12) . . ?
C22 N3 K2 108.6(10) . . ?
C34 N3 K2 110.7(10) . . ?
C28 N3 K2 108.2(11) . . ?
O1 C1 Rh1 176.5(12) . . ?
O3 C3 Rh3 176.9(15) . . ?
C6 O7 C5 111.8(13) . . ?
C6 O7 K1 112.9(8) . . ?
C5 O7 K1 115.3(8) . . ?
C19 O4 C20 112.3(11) . . ?
C19 O4 K1 112.8(8) . . ?
C20 O4 K1 114.7(8) . . ?
C8 O6 C7 111.6(11) . . ?
C8 O6 K1 116.8(9) . . ?
C7 O6 K1 116.4(8) . . ?
C17 O5 C18 113.6(11) . . ?
C17 O5 K1 116.9(9) . . ?
C18 O5 K1 117.9(10) . . ?
C14 O8 C13 116.0(16) . . ?
C14 O8 K1 107.9(11) . . ?
C13 O8 K1 113.2(11) . . ?
C12 O9 C11 115.5(14) . . ?
C12 O9 K1 113.3(10) . . ?
C11 O9 K1 108.1(10) . . ?
C35 O11 C36 111.5(12) . . ?
C35 O11 K2 115.8(9) . . ?
C36 O11 K2 114.4(8) . . ?
C38 O10 C37 109.6(13) . . ?
C38 O10 K2 116.8(11) . . ?
C37 O10 K2 115.6(10) . . ?
C23 O13 C24 110.4(13) . . ?
C23 O13 K2 118.9(9) . . ?
C24 O13 K2 116.1(11) . . ?
C25 O12 C26 112.2(13) . . ?
C25 O12 K2 112.9(10) . . ?
C26 O12 K2 113.9(8) . . ?
C31 O14 C32 111.0(12) . . ?
C31 O14 K2 110.6(11) . . ?
C32 O14 K2 112.4(8) . . ?
C29 O15 C30 112.1(13) . . ?
C29 O15 K2 118.4(10) . . ?
C30 O15 K2 119.2(10) . . ?
O11 C36 C37 107.5(12) . . ?
O10 C37 C36 109.2(13) . . ?
O4 C19 C18 108.8(12) . . ?
O5 C18 C19 110.3(13) . . ?
N2 C4 C5 114.0(11) . . ?
O6 C8 C9 108.2(12) . . ?
O11 C35 C34 110.8(14) . . ?
N3 C28 C29 114.4(15) . . ?
C33 C32 O14 111.8(14) . . ?
O12 C26 C27 111.9(13) . . ?
O14 C31 C30 108.5(12) . . ?
O15 C30 C31 109.4(13) . . ?
C26 C27 N4 114.1(13) . . ?
O13 C23 C22 107.1(14) . . ?
N4 C39 C38 115.7(14) . . ?
N3 C34 C35 110.9(12) . . ?
O4 C20 C21 111.8(12) . . ?
O5 C17 C16 111.6(12) . . ?
N1 C21 C20 111.0(15) . . ?
C17 C16 N2 110.8(15) . . ?
N2 C10 C11 111.3(12) . . ?
O9 C11 C10 110.4(14) . . ?
C8 C9 N1 114.2(12) . . ?
O7 C6 C7 110.2(14) . . ?
O7 C5 C4 110.4(14) . . ?
O6 C7 C6 111.1(12) . . ?
O12 C25 C24 107.7(16) . . ?
N3 C22 C23 116.1(17) . . ?
O15 C29 C28 110.0(14) . . ?
C32 C33 N4 117.2(17) . . ?
O13 C24 C25 107.5(15) . . ?
O10 C38 C39 109.3(15) . . ?
N1 C15 C14 111.9(16) . . ?
C13 C12 O9 112.4(17) . . ?
O8 C14 C15 109.2(15) . . ?
C12 C13 O8 115.3(15) . . ?
C43 C44 C45 127(2) . . ?
C44 C43 C42 116(2) . . ?
C41 C42 C43 121(3) . . ?
C41 C40 C45 119(2) . . ?
C42 C41 C40 122(2) . . ?
C44 C45 C40 115(2) . . ?
C44 C45 C46 124(2) . . ?
C40 C45 C46 121(2) . . ?

_refine_diff_density_max         2.335
_refine_diff_density_min         -2.260
_refine_diff_density_rms         0.341



_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1885341'
loop_
_audit_author_name
_audit_author_address
'Zhenyu Li'
;Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-03-13 deposited with the CCDC.	2019-05-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H80 Bi7 Co3 K2 N4 O15'
_chemical_formula_weight         2646.99

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'
Co Co 0.3494 0.9721 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.1230(5)
_cell_length_b                   14.1602(6)
_cell_length_c                   21.3908(9)
_cell_angle_alpha                99.458(2)
_cell_angle_beta                 99.3650(10)
_cell_angle_gamma                117.5120(10)
_cell_volume                     3345.6(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9988
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      25.35

_exptl_crystal_description       Rod
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.628
_exptl_crystal_F_000             2408
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    19.242
_shelx_estimated_absorpt_T_min   0.086
_shelx_estimated_absorpt_T_max   0.446
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0085
_exptl_absorpt_correction_T_max  0.0502
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46504
_diffrn_reflns_av_unetI/netI     0.0501
_diffrn_reflns_av_R_equivalents  0.0533
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.185
_diffrn_reflns_theta_max         25.363
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             12205
_reflns_number_gt                11097
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0600P)²+28.2469P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12205
_refine_ls_number_parameters     695
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0411
_refine_ls_wR_factor_ref         0.1204
_refine_ls_wR_factor_gt          0.1126
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_restrained_S_all      1.127
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Co1 Co 0.21328(11) 0.74240(11) 0.71241(6) 0.0214(3) Uani 1 1 d . . . . .
Co2 Co -0.01780(11) 0.57043(10) 0.69161(6) 0.0205(3) Uani 1 1 d . . . . .
Co3 Co 0.17211(11) 0.53311(11) 0.72271(6) 0.0225(3) Uani 1 1 d . . . . .
Bi1 Bi 0.13634(3) 0.66486(3) 0.81107(2) 0.02709(11) Uani 1 1 d . . . . .
Bi2 Bi 0.03355(3) 0.77945(3) 0.71342(2) 0.02746(11) Uani 1 1 d . . . . .
Bi3 Bi -0.03952(3) 0.40553(3) 0.74156(2) 0.02736(10) Uani 1 1 d . . . . .
Bi4 Bi 0.38396(3) 0.71491(4) 0.78025(2) 0.03377(11) Uani 1 1 d . . . . .
Bi5 Bi 0.04913(3) 0.65762(3) 0.59272(2) 0.02501(10) Uani 1 1 d . . . . .
Bi6 Bi 0.00195(3) 0.41866(3) 0.60915(2) 0.02549(10) Uani 1 1 d . . . . .
Bi7 Bi 0.27933(3) 0.62609(3) 0.63486(2) 0.02868(11) Uani 1 1 d . . . . .
C1 C 0.3044(8) 0.8722(8) 0.7235(4) 0.0208(19) Uani 1 1 d . U . . .
O1 O 0.3692(6) 0.9772(6) 0.7395(3) 0.0304(16) Uani 1 1 d . . . . .
C2 C -0.1628(9) 0.5338(8) 0.6882(5) 0.027(2) Uani 1 1 d . . . . .
O2 O -0.2600(6) 0.5126(6) 0.6886(4) 0.0329(17) Uani 1 1 d . . . . .
C3 C 0.2189(8) 0.4441(9) 0.7375(5) 0.026(2) Uani 1 1 d . . . . .
O3 O 0.2508(7) 0.3798(7) 0.7467(4) 0.0347(17) Uani 1 1 d . . . . .
K1 K 0.66429(17) 0.85494(17) 0.51309(10) 0.0212(4) Uani 1 1 d . . . . .
K2 K 0.25660(16) 0.25097(16) 0.00371(9) 0.0177(4) Uani 1 1 d . . . . .
N1 N 0.7238(8) 0.9382(7) 0.6604(4) 0.0271(18) Uani 1 1 d . . . . .
N2 N 0.6085(7) 0.7769(7) 0.3661(4) 0.0262(18) Uani 1 1 d . . . . .
N3 N 0.2408(7) 0.3809(6) 0.1225(4) 0.0212(17) Uani 1 1 d . . . . .
N4 N 0.2619(7) 0.1252(7) -0.1208(4) 0.0234(17) Uani 1 1 d . . . . .
O4 O 0.7167(7) 0.7379(6) 0.5937(3) 0.0306(16) Uani 1 1 d . . . . .
O5 O 0.6336(6) 0.6454(6) 0.4557(3) 0.0286(16) Uani 1 1 d . . . . .
O6 O 0.8658(6) 1.0697(6) 0.5820(3) 0.0262(15) Uani 1 1 d . . . . .
O7 O 0.8298(6) 0.9785(5) 0.4473(3) 0.0233(14) Uani 1 1 d . . . . .
O8 O 0.4969(6) 0.8746(6) 0.5697(4) 0.0329(17) Uani 1 1 d . . . . .
O9 O 0.4504(6) 0.8281(6) 0.4330(4) 0.0289(16) Uani 1 1 d . . . . .
O10 O 0.1519(6) 0.1376(6) 0.0933(3) 0.0248(15) Uani 1 1 d . . . . .
O11 O 0.2034(6) 0.0315(5) -0.0097(3) 0.0230(14) Uani 1 1 d . . . . .
O12 O 0.4637(5) 0.4144(5) 0.0970(3) 0.0224(14) Uani 1 1 d . . . . .
O13 O 0.4751(5) 0.3231(5) -0.0270(3) 0.0234(14) Uani 1 1 d . . . . .
O14 O 0.1571(9) 0.3924(8) -0.0118(4) 0.052(3) Uani 1 1 d . . . . .
O15 O 0.0872(9) 0.2017(8) -0.1161(4) 0.051(2) Uani 1 1 d . . . . .
C4 C 0.7725(11) 0.8772(10) 0.6909(5) 0.037(3) Uani 1 1 d . . . . .
H01X H 0.772634 0.890159 0.737799 0.044 Uiso 1 1 calc R U . . .
H01Y H 0.856411 0.907271 0.689260 0.044 Uiso 1 1 calc R U . . .
C5 C 0.7043(11) 0.7534(9) 0.6586(5) 0.035(3) Uani 1 1 d . . . . .
H01C H 0.737547 0.716210 0.683522 0.042 Uiso 1 1 calc R U . . .
H01D H 0.618997 0.721871 0.657533 0.042 Uiso 1 1 calc R U . . .
C6 C 0.6714(13) 0.6217(10) 0.5632(6) 0.043(3) Uani 1 1 d . . . . .
H02K H 0.584241 0.579001 0.557568 0.052 Uiso 1 1 calc R U . . .
H02L H 0.710355 0.592495 0.591608 0.052 Uiso 1 1 calc R U . . .
C7 C 0.6969(12) 0.6097(11) 0.4973(6) 0.042(3) Uani 1 1 d . . . . .
H01Z H 0.783686 0.655080 0.502701 0.050 Uiso 1 1 calc R U . . .
H010 H 0.671399 0.531429 0.477178 0.050 Uiso 1 1 calc R U . . .
C8 C 0.6494(9) 0.6290(9) 0.3908(5) 0.030(2) Uani 1 1 d . . . . .
H01M H 0.626601 0.550816 0.372845 0.036 Uiso 1 1 calc R U . . .
H01N H 0.734268 0.676397 0.392649 0.036 Uiso 1 1 calc R U . . .
C9 C 0.5728(9) 0.6580(9) 0.3471(5) 0.032(2) Uani 1 1 d . . . . .
H01Q H 0.576214 0.637573 0.301273 0.038 Uiso 1 1 calc R U . . .
H01R H 0.488909 0.613246 0.348066 0.038 Uiso 1 1 calc R U . . .
C10 C 0.8128(10) 1.0568(9) 0.6831(5) 0.034(2) Uani 1 1 d . . . . .
H020 H 0.846348 1.077464 0.731364 0.041 Uiso 1 1 calc R U . . .
H021 H 0.772380 1.099279 0.674034 0.041 Uiso 1 1 calc R U . . .
C11 C 0.9138(10) 1.0894(9) 0.6510(5) 0.034(2) Uani 1 1 d . . . . .
H026 H 0.974059 1.168715 0.670869 0.041 Uiso 1 1 calc R U . . .
H027 H 0.952990 1.045267 0.657796 0.041 Uiso 1 1 calc R U . . .
C12 C 0.9592(8) 1.1078(8) 0.5501(5) 0.026(2) Uani 1 1 d . . . . .
H01S H 1.000440 1.064504 0.552649 0.031 Uiso 1 1 calc R U . . .
H01T H 1.018431 1.186707 0.572196 0.031 Uiso 1 1 calc R U . . .
C13 C 0.9058(9) 1.0942(8) 0.4801(5) 0.028(2) Uani 1 1 d . . . . .
H024 H 0.858977 1.132426 0.477610 0.033 Uiso 1 1 calc R U . . .
H025 H 0.969878 1.127492 0.458234 0.033 Uiso 1 1 calc R U . . .
C14 C 0.7816(10) 0.9621(10) 0.3785(6) 0.038(3) Uani 1 1 d . . . . .
H015 H 0.847105 1.001271 0.358737 0.045 Uiso 1 1 calc R U . . .
H016 H 0.727336 0.992671 0.373227 0.045 Uiso 1 1 calc R U . . .
C15 C 0.7144(10) 0.8406(10) 0.3443(5) 0.034(2) Uani 1 1 d . . . . .
H01O H 0.689201 0.830190 0.296273 0.041 Uiso 1 1 calc R U . . .
H01P H 0.768763 0.810668 0.351951 0.041 Uiso 1 1 calc R U . . .
C16 C 0.6143(11) 0.9186(10) 0.6791(6) 0.036(3) Uani 1 1 d . . . . .
H02O H 0.636426 0.963451 0.724910 0.043 Uiso 1 1 calc R U . . .
H02P H 0.567527 0.839647 0.678097 0.043 Uiso 1 1 calc R U . . .
C17 C 0.5368(10) 0.9469(10) 0.6346(6) 0.036(3) Uani 1 1 d . . . . .
H018 H 0.467357 0.937300 0.651122 0.043 Uiso 1 1 calc R U . . .
H019 H 0.583112 1.024920 0.633757 0.043 Uiso 1 1 calc R U . . .
C18 C 0.3980(10) 0.8734(10) 0.5297(6) 0.038(3) Uani 1 1 d . . . . .
H01A H 0.422465 0.947989 0.523662 0.046 Uiso 1 1 calc R U . . .
H01B H 0.332812 0.853233 0.551563 0.046 Uiso 1 1 calc R U . . .
C19 C 0.3555(9) 0.7923(10) 0.4651(7) 0.042(3) Uani 1 1 d . . . . .
H02G H 0.333768 0.718087 0.471025 0.050 Uiso 1 1 calc R U . . .
H02H H 0.283884 0.787672 0.437806 0.050 Uiso 1 1 calc R U . . .
C20 C 0.4110(9) 0.7569(10) 0.3686(6) 0.040(3) Uani 1 1 d . . . . .
H02A H 0.343216 0.759025 0.342121 0.048 Uiso 1 1 calc R U . . .
H02B H 0.382896 0.679964 0.371062 0.048 Uiso 1 1 calc R U . . .
C21 C 0.5112(10) 0.7920(10) 0.3357(5) 0.039(3) Uani 1 1 d . . . . .
H02T H 0.478390 0.748758 0.288859 0.047 Uiso 1 1 calc R U . . .
H02U H 0.543464 0.871083 0.337197 0.047 Uiso 1 1 calc R U . . .
C22 C 0.1740(9) 0.2043(9) 0.1559(5) 0.027(2) Uani 1 1 d . . . . .
H2A H 0.257306 0.233456 0.181465 0.033 Uiso 1 1 calc R U . . .
H2B H 0.120003 0.159403 0.179927 0.033 Uiso 1 1 calc R U . . .
C23 C 0.1537(8) 0.3004(8) 0.1491(5) 0.025(2) Uani 1 1 d . . . . .
H02I H 0.072595 0.270267 0.119985 0.030 Uiso 1 1 calc R U . . .
H02J H 0.156906 0.339176 0.193002 0.030 Uiso 1 1 calc R U . . .
C24 C 0.1756(9) 0.0504(8) 0.0981(5) 0.025(2) Uani 1 1 d . . . . .
H012 H 0.132303 0.009310 0.127264 0.030 Uiso 1 1 calc R U . . .
H013 H 0.262148 0.081081 0.117087 0.030 Uiso 1 1 calc R U . . .
C25 C 0.1347(9) -0.0269(8) 0.0295(5) 0.026(2) Uani 1 1 d . . . . .
H02R H 0.144930 -0.091283 0.032115 0.031 Uiso 1 1 calc R U . . .
H02S H 0.049076 -0.054483 0.009632 0.031 Uiso 1 1 calc R U . . .
C26 C 0.1630(9) -0.0358(8) -0.0767(5) 0.029(2) Uani 1 1 d . . . . .
H02M H 0.085301 -0.045444 -0.099190 0.035 Uiso 1 1 calc R U . . .
H02N H 0.152608 -0.109794 -0.077295 0.035 Uiso 1 1 calc R U . . .
C27 C 0.2549(10) 0.0213(8) -0.1114(5) 0.031(2) Uani 1 1 d . . . . .
H01G H 0.333930 0.038179 -0.085530 0.038 Uiso 1 1 calc R U . . .
H01H H 0.235265 -0.029339 -0.154967 0.038 Uiso 1 1 calc R U . . .
C28 C 0.3588(8) 0.4465(8) 0.1709(5) 0.028(2) Uani 1 1 d . . . . .
H02E H 0.373097 0.397707 0.194802 0.033 Uiso 1 1 calc R U . . .
H02F H 0.358407 0.504694 0.203396 0.033 Uiso 1 1 calc R U . . .
C29 C 0.4593(9) 0.5001(8) 0.1409(5) 0.027(2) Uani 1 1 d . . . . .
H01U H 0.446209 0.548805 0.116284 0.033 Uiso 1 1 calc R U . . .
H01V H 0.535699 0.545794 0.175792 0.033 Uiso 1 1 calc R U . . .
C30 C 0.5712(8) 0.4588(9) 0.0773(5) 0.025(2) Uani 1 1 d . . . . .
H02C H 0.640907 0.493735 0.116426 0.030 Uiso 1 1 calc R U . . .
H02D H 0.576227 0.516151 0.054908 0.030 Uiso 1 1 calc R U . . .
C31 C 0.5721(8) 0.3665(9) 0.0309(5) 0.027(2) Uani 1 1 d . . . . .
H028 H 0.648731 0.395139 0.019058 0.032 Uiso 1 1 calc R U . . .
H029 H 0.563163 0.307377 0.052436 0.032 Uiso 1 1 calc R U . . .
C32 C 0.4839(8) 0.2476(8) -0.0759(5) 0.025(2) Uani 1 1 d . . . . .
H01I H 0.487716 0.189047 -0.057601 0.030 Uiso 1 1 calc R U . . .
H01J H 0.557631 0.287167 -0.089497 0.030 Uiso 1 1 calc R U . . .
C33 C 0.3745(9) 0.1955(8) -0.1354(5) 0.026(2) Uani 1 1 d . . . . .
H3A H 0.368868 0.255182 -0.151305 0.032 Uiso 1 1 calc R U . . .
H3B H 0.385511 0.150308 -0.171342 0.032 Uiso 1 1 calc R U . . .
C34 C 0.1959(9) 0.4543(8) 0.1040(6) 0.031(2) Uani 1 1 d . . . . .
H00A H 0.161521 0.473394 0.138529 0.038 Uiso 1 1 calc R U . . .
H00B H 0.263991 0.523889 0.102202 0.038 Uiso 1 1 calc R U . . .
C35 C 0.1043(10) 0.4036(10) 0.0396(6) 0.037(3) Uani 1 1 d . . . . .
H01K H 0.039863 0.329910 0.039034 0.045 Uiso 1 1 calc R U . . .
H01L H 0.068601 0.450632 0.033079 0.045 Uiso 1 1 calc R U . . .
C38 C 0.1339(11) 0.1942(11) -0.1710(7) 0.050(4) Uani 1 1 d . . . . .
H022 H 0.207596 0.264845 -0.165594 0.060 Uiso 1 1 calc R U . . .
H023 H 0.074921 0.179112 -0.212029 0.060 Uiso 1 1 calc R U . . .
C39 C 0.1611(9) 0.1016(10) -0.1746(5) 0.037(3) Uani 1 1 d . . . . .
H01E H 0.089142 0.034125 -0.173987 0.044 Uiso 1 1 calc R U . . .
H01F H 0.178924 0.086007 -0.217101 0.044 Uiso 1 1 calc R U . . .
C40 C 0.3188(10) 0.8289(10) 0.1275(6) 0.034(2) Uani 1 1 d . . . . .
C41 C 0.3929(10) 0.9309(9) 0.1192(6) 0.035(3) Uani 1 1 d . . . . .
H02Q H 0.441601 0.991899 0.157090 0.043 Uiso 1 1 calc R U . . .
C42 C 0.3987(12) 0.9473(12) 0.0587(6) 0.045(3) Uani 1 1 d . . . . .
H017 H 0.451973 1.018469 0.055063 0.055 Uiso 1 1 calc R U . . .
C43 C 0.3264(12) 0.8597(12) 0.0014(6) 0.047(3) Uani 1 1 d . . . . .
H01W H 0.329958 0.870206 -0.041058 0.056 Uiso 1 1 calc R U . . .
C44 C 0.2497(12) 0.7574(12) 0.0090(6) 0.047(3) Uani 1 1 d . . . . .
H011 H 0.199420 0.696924 -0.028920 0.056 Uiso 1 1 calc R U . . .
C45 C 0.2453(10) 0.7424(10) 0.0695(6) 0.036(3) Uani 1 1 d . . . . .
H014 H 0.191083 0.671547 0.073004 0.043 Uiso 1 1 calc R U . . .
C46 C 0.3154(11) 0.8077(12) 0.1921(7) 0.047(3) Uani 1 1 d . . . . .
H7A H 0.249266 0.812282 0.205114 0.070 Uiso 1 1 calc R U . . .
H7B H 0.390911 0.862955 0.224793 0.070 Uiso 1 1 calc R U . . .
H7C H 0.303916 0.733535 0.189727 0.070 Uiso 1 1 calc R U . . .
C36 C 0.0188(16) 0.2598(14) -0.1105(9) 0.077(5) Uani 1 1 d D U . . .
H36A H -0.021810 0.254448 -0.155281 0.092 Uiso 1 1 calc R U . . .
H36B H -0.043507 0.222217 -0.088490 0.092 Uiso 1 1 calc R U . . .
C37 C 0.089(2) 0.3697(16) -0.0758(8) 0.109(9) Uani 1 1 d D . . . .
H37A H 0.035880 0.401625 -0.072809 0.130 Uiso 1 1 calc R U . . .
H37B H 0.143419 0.408575 -0.101328 0.130 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C1 1.612(10) . ?
Co1 Bi2 2.6448(13) . ?
Co1 Bi7 2.6655(13) . ?
Co1 Bi1 2.6664(13) . ?
Co1 Bi4 2.6847(14) . ?
Co1 Bi5 2.7282(13) . ?
Co1 Co2 2.7760(18) . ?
Co1 Co3 2.810(2) . ?
Co2 C2 1.711(10) . ?
Co2 Bi3 2.6418(14) . ?
Co2 Bi2 2.6521(13) . ?
Co2 Bi1 2.6656(13) . ?
Co2 Bi6 2.6859(12) . ?
Co2 Bi5 2.6892(14) . ?
Co2 Co3 2.7794(18) . ?
Co3 C3 1.688(11) . ?
Co3 Bi4 2.6654(13) . ?
Co3 Bi3 2.6659(13) . ?
Co3 Bi6 2.6667(13) . ?
Co3 Bi7 2.6846(14) . ?
Co3 Bi1 2.6856(13) . ?
Bi1 Bi4 3.1968(6) . ?
Bi1 Bi3 3.2064(6) . ?
Bi1 Bi2 3.3219(6) . ?
Bi2 Bi5 2.9527(5) . ?
Bi3 Bi6 2.9890(6) . ?
Bi4 Bi7 2.9781(6) . ?
Bi5 Bi6 3.2376(6) . ?
Bi5 Bi7 3.2602(6) . ?
Bi6 Bi7 3.3346(6) . ?
C1 O1 1.273(12) . ?
C2 O2 1.169(12) . ?
C3 O3 1.194(13) . ?
K1 O8 2.773(7) . ?
K1 O4 2.793(8) . ?
K1 O5 2.831(7) . ?
K1 O7 2.837(7) . ?
K1 O9 2.862(7) . ?
K1 O6 2.871(7) . ?
K1 N2 3.001(8) . ?
K1 N1 3.009(8) . ?
K2 O12 2.762(6) . ?
K2 O13 2.797(7) . ?
K2 O11 2.804(7) . ?
K2 O10 2.823(7) . ?
K2 O15 2.850(8) . ?
K2 O14 2.885(8) . ?
K2 N3 2.978(7) . ?
K2 N4 2.981(8) . ?
N1 C4 1.461(14) . ?
N1 C10 1.468(14) . ?
N1 C16 1.469(14) . ?
N2 C21 1.459(13) . ?
N2 C15 1.467(14) . ?
N2 C9 1.485(13) . ?
N3 C23 1.467(12) . ?
N3 C28 1.471(12) . ?
N3 C34 1.487(14) . ?
N4 C39 1.469(13) . ?
N4 C33 1.472(12) . ?
N4 C27 1.480(14) . ?
O4 C5 1.416(13) . ?
O4 C6 1.450(13) . ?
O5 C7 1.425(13) . ?
O5 C8 1.432(12) . ?
O6 C12 1.428(11) . ?
O6 C11 1.433(13) . ?
O7 C13 1.434(12) . ?
O7 C14 1.440(13) . ?
O8 C18 1.425(14) . ?
O8 C17 1.431(14) . ?
O9 C20 1.417(13) . ?
O9 C19 1.446(14) . ?
O10 C22 1.404(11) . ?
O10 C24 1.421(12) . ?
O11 C25 1.408(12) . ?
O11 C26 1.443(11) . ?
O12 C30 1.422(11) . ?
O12 C29 1.438(11) . ?
O13 C32 1.427(11) . ?
O13 C31 1.430(11) . ?
O14 C37 1.404(16) . ?
O14 C35 1.418(15) . ?
O15 C38 1.422(18) . ?
O15 C36 1.48(2) . ?
C4 C5 1.518(15) . ?
C6 C7 1.502(17) . ?
C8 C9 1.502(15) . ?
C10 C11 1.508(16) . ?
C12 C13 1.487(15) . ?
C14 C15 1.500(16) . ?
C16 C17 1.514(16) . ?
C18 C19 1.476(18) . ?
C20 C21 1.510(18) . ?
C22 C23 1.526(15) . ?
C24 C25 1.521(14) . ?
C26 C27 1.498(14) . ?
C28 C29 1.496(14) . ?
C30 C31 1.512(14) . ?
C32 C33 1.531(14) . ?
C34 C35 1.481(16) . ?
C38 C39 1.503(19) . ?
C40 C41 1.381(17) . ?
C40 C45 1.412(15) . ?
C40 C46 1.465(18) . ?
C41 C42 1.360(18) . ?
C42 C43 1.405(19) . ?
C43 C44 1.39(2) . ?
C44 C45 1.351(18) . ?
C36 C37 1.376(16) . ?

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
C1 Co1 Bi2 91.0(3) . . ?
C1 Co1 Bi7 108.4(3) . . ?
Bi2 Co1 Bi7 140.50(5) . . ?
C1 Co1 Bi1 121.2(3) . . ?
Bi2 Co1 Bi1 77.43(4) . . ?
Bi7 Co1 Bi1 116.71(5) . . ?
C1 Co1 Bi4 92.3(3) . . ?
Bi2 Co1 Bi4 147.64(5) . . ?
Bi7 Co1 Bi4 67.64(3) . . ?
Bi1 Co1 Bi4 73.37(4) . . ?
C1 Co1 Bi5 109.9(3) . . ?
Bi2 Co1 Bi5 66.65(3) . . ?
Bi7 Co1 Bi5 74.37(3) . . ?
Bi1 Co1 Bi5 116.88(5) . . ?
Bi4 Co1 Bi5 140.53(5) . . ?
C1 Co1 Co2 149.5(3) . . ?
Bi2 Co1 Co2 58.52(4) . . ?
Bi7 Co1 Co2 95.83(5) . . ?
Bi1 Co1 Co2 58.61(4) . . ?
Bi4 Co1 Co2 114.45(6) . . ?
Bi5 Co1 Co2 58.49(4) . . ?
C1 Co1 Co3 149.9(3) . . ?
Bi2 Co1 Co3 116.32(5) . . ?
Bi7 Co1 Co3 58.65(4) . . ?
Bi1 Co1 Co3 58.66(4) . . ?
Bi4 Co1 Co3 57.98(4) . . ?
Bi5 Co1 Co3 93.31(5) . . ?
Co2 Co1 Co3 59.67(5) . . ?
C2 Co2 Bi3 90.7(4) . . ?
C2 Co2 Bi2 88.2(3) . . ?
Bi3 Co2 Bi2 147.73(5) . . ?
C2 Co2 Bi1 116.3(3) . . ?
Bi3 Co2 Bi1 74.33(4) . . ?
Bi2 Co2 Bi1 77.32(3) . . ?
C2 Co2 Bi6 113.0(3) . . ?
Bi3 Co2 Bi6 68.25(3) . . ?
Bi2 Co2 Bi6 140.52(5) . . ?
Bi1 Co2 Bi6 116.96(5) . . ?
C2 Co2 Bi5 111.3(4) . . ?
Bi3 Co2 Bi5 141.54(5) . . ?
Bi2 Co2 Bi5 67.12(3) . . ?
Bi1 Co2 Bi5 118.29(5) . . ?
Bi6 Co2 Bi5 74.07(3) . . ?
C2 Co2 Co1 146.5(3) . . ?
Bi3 Co2 Co1 116.28(5) . . ?
Bi2 Co2 Co1 58.27(4) . . ?
Bi1 Co2 Co1 58.64(4) . . ?
Bi6 Co2 Co1 96.15(5) . . ?
Bi5 Co2 Co1 59.87(4) . . ?
C2 Co2 Co3 149.5(4) . . ?
Bi3 Co2 Co3 58.85(4) . . ?
Bi2 Co2 Co3 117.14(5) . . ?
Bi1 Co2 Co3 59.06(4) . . ?
Bi6 Co2 Co3 58.38(4) . . ?
Bi5 Co2 Co3 94.86(5) . . ?
Co1 Co2 Co3 60.78(5) . . ?
C3 Co3 Bi4 95.2(3) . . ?
C3 Co3 Bi3 91.6(3) . . ?
Bi4 Co3 Bi3 143.12(5) . . ?
C3 Co3 Bi6 102.8(3) . . ?
Bi4 Co3 Bi6 143.74(6) . . ?
Bi3 Co3 Bi6 68.18(3) . . ?
C3 Co3 Bi7 106.5(3) . . ?
Bi4 Co3 Bi7 67.65(3) . . ?
Bi3 Co3 Bi7 143.69(5) . . ?
Bi6 Co3 Bi7 77.09(4) . . ?
C3 Co3 Bi1 126.8(3) . . ?
Bi4 Co3 Bi1 73.37(3) . . ?
Bi3 Co3 Bi1 73.62(3) . . ?
Bi6 Co3 Bi1 116.94(5) . . ?
Bi7 Co3 Bi1 115.40(5) . . ?
C3 Co3 Co2 148.0(3) . . ?
Bi4 Co3 Co2 114.97(5) . . ?
Bi3 Co3 Co2 58.00(4) . . ?
Bi6 Co3 Co2 59.06(4) . . ?
Bi7 Co3 Co2 95.31(5) . . ?
Bi1 Co3 Co2 58.36(4) . . ?
C3 Co3 Co1 152.4(3) . . ?
Bi4 Co3 Co1 58.65(4) . . ?
Bi3 Co3 Co1 114.33(5) . . ?
Bi6 Co3 Co1 95.78(5) . . ?
Bi7 Co3 Co1 57.98(4) . . ?
Bi1 Co3 Co1 57.99(4) . . ?
Co2 Co3 Co1 59.55(5) . . ?
Co2 Bi1 Co1 62.75(4) . . ?
Co2 Bi1 Co3 62.58(4) . . ?
Co1 Bi1 Co3 63.35(4) . . ?
Co2 Bi1 Bi4 102.74(3) . . ?
Co1 Bi1 Bi4 53.58(3) . . ?
Co3 Bi1 Bi4 53.02(3) . . ?
Co2 Bi1 Bi3 52.50(3) . . ?
Co1 Bi1 Bi3 102.80(3) . . ?
Co3 Bi1 Bi3 52.91(3) . . ?
Bi4 Bi1 Bi3 104.345(15) . . ?
Co2 Bi1 Bi2 51.16(3) . . ?
Co1 Bi1 Bi2 50.99(3) . . ?
Co3 Bi1 Bi2 100.45(3) . . ?
Bi4 Bi1 Bi2 103.458(15) . . ?
Bi3 Bi1 Bi2 102.321(14) . . ?
Co1 Bi2 Co2 63.21(4) . . ?
Co1 Bi2 Bi5 58.03(3) . . ?
Co2 Bi2 Bi5 57.04(3) . . ?
Co1 Bi2 Bi1 51.58(3) . . ?
Co2 Bi2 Bi1 51.52(3) . . ?
Bi5 Bi2 Bi1 94.026(14) . . ?
Co2 Bi3 Co3 63.15(4) . . ?
Co2 Bi3 Bi6 56.58(3) . . ?
Co3 Bi3 Bi6 55.92(3) . . ?
Co2 Bi3 Bi1 53.17(3) . . ?
Co3 Bi3 Bi1 53.47(3) . . ?
Bi6 Bi3 Bi1 94.779(14) . . ?
Co3 Bi4 Co1 63.37(4) . . ?
Co3 Bi4 Bi7 56.48(3) . . ?
Co1 Bi4 Bi7 55.87(3) . . ?
Co3 Bi4 Bi1 53.60(3) . . ?
Co1 Bi4 Bi1 53.05(3) . . ?
Bi7 Bi4 Bi1 94.564(14) . . ?
Co2 Bi5 Co1 61.65(4) . . ?
Co2 Bi5 Bi2 55.84(3) . . ?
Co1 Bi5 Bi2 55.32(3) . . ?
Co2 Bi5 Bi6 52.92(3) . . ?
Co1 Bi5 Bi6 85.43(3) . . ?
Bi2 Bi5 Bi6 108.426(16) . . ?
Co2 Bi5 Bi7 84.94(3) . . ?
Co1 Bi5 Bi7 51.94(3) . . ?
Bi2 Bi5 Bi7 107.006(15) . . ?
Bi6 Bi5 Bi7 61.751(12) . . ?
Co3 Bi6 Co2 62.57(4) . . ?
Co3 Bi6 Bi3 55.90(3) . . ?
Co2 Bi6 Bi3 55.18(3) . . ?
Co3 Bi6 Bi5 85.45(3) . . ?
Co2 Bi6 Bi5 53.01(3) . . ?
Bi3 Bi6 Bi5 107.813(15) . . ?
Co3 Bi6 Bi7 51.70(3) . . ?
Co2 Bi6 Bi7 83.53(3) . . ?
Bi3 Bi6 Bi7 106.901(14) . . ?
Bi5 Bi6 Bi7 59.459(12) . . ?
Co1 Bi7 Co3 63.37(4) . . ?
Co1 Bi7 Bi4 56.48(3) . . ?
Co3 Bi7 Bi4 55.87(3) . . ?
Co1 Bi7 Bi5 53.69(3) . . ?
Co3 Bi7 Bi5 84.72(3) . . ?
Bi4 Bi7 Bi5 109.430(15) . . ?
Co1 Bi7 Bi6 84.49(3) . . ?
Co3 Bi7 Bi6 51.21(3) . . ?
Bi4 Bi7 Bi6 106.649(15) . . ?
Bi5 Bi7 Bi6 58.790(12) . . ?
O1 C1 Co1 171.1(8) . . ?
O2 C2 Co2 176.9(9) . . ?
O3 C3 Co3 178.8(10) . . ?
O8 K1 O4 96.8(2) . . ?
O8 K1 O5 121.5(2) . . ?
O4 K1 O5 60.3(2) . . ?
O8 K1 O7 136.5(2) . . ?
O4 K1 O7 120.8(2) . . ?
O5 K1 O7 97.3(2) . . ?
O8 K1 O9 59.3(2) . . ?
O4 K1 O9 135.1(2) . . ?
O5 K1 O9 98.1(2) . . ?
O7 K1 O9 99.4(2) . . ?
O8 K1 O6 97.9(2) . . ?
O4 K1 O6 97.1(2) . . ?
O5 K1 O6 135.0(2) . . ?
O7 K1 O6 59.23(19) . . ?
O9 K1 O6 121.9(2) . . ?
O8 K1 N2 119.9(2) . . ?
O4 K1 N2 120.8(2) . . ?
O5 K1 N2 61.0(2) . . ?
O7 K1 N2 60.5(2) . . ?
O9 K1 N2 61.1(2) . . ?
O6 K1 N2 119.0(2) . . ?
O8 K1 N1 60.4(2) . . ?
O4 K1 N1 60.1(2) . . ?
O5 K1 N1 120.0(2) . . ?
O7 K1 N1 118.4(2) . . ?
O9 K1 N1 119.1(2) . . ?
O6 K1 N1 59.7(2) . . ?
N2 K1 N1 178.8(3) . . ?
O12 K2 O13 60.76(18) . . ?
O12 K2 O11 117.1(2) . . ?
O13 K2 O11 95.6(2) . . ?
O12 K2 O10 95.5(2) . . ?
O13 K2 O10 135.2(2) . . ?
O11 K2 O10 59.95(19) . . ?
O12 K2 O15 145.1(3) . . ?
O13 K2 O15 105.4(3) . . ?
O11 K2 O15 95.0(2) . . ?
O10 K2 O15 113.2(3) . . ?
O12 K2 O14 94.7(2) . . ?
O13 K2 O14 113.6(3) . . ?
O11 K2 O14 144.9(3) . . ?
O10 K2 O14 105.2(3) . . ?
O15 K2 O14 59.8(2) . . ?
O12 K2 N3 60.5(2) . . ?
O13 K2 N3 119.9(2) . . ?
O11 K2 N3 121.3(2) . . ?
O10 K2 N3 62.0(2) . . ?
O15 K2 N3 115.2(2) . . ?
O14 K2 N3 60.7(2) . . ?
O12 K2 N4 121.7(2) . . ?
O13 K2 N4 61.6(2) . . ?
O11 K2 N4 61.2(2) . . ?
O10 K2 N4 119.8(2) . . ?
O15 K2 N4 61.0(2) . . ?
O14 K2 N4 115.5(2) . . ?
N3 K2 N4 176.1(2) . . ?
C4 N1 C10 109.1(9) . . ?
C4 N1 C16 109.3(9) . . ?
C10 N1 C16 110.0(8) . . ?
C4 N1 K1 108.7(6) . . ?
C10 N1 K1 110.6(6) . . ?
C16 N1 K1 109.1(6) . . ?
C21 N2 C15 109.7(9) . . ?
C21 N2 C9 110.1(8) . . ?
C15 N2 C9 109.2(8) . . ?
C21 N2 K1 109.0(6) . . ?
C15 N2 K1 110.0(5) . . ?
C9 N2 K1 108.9(6) . . ?
C23 N3 C28 111.1(8) . . ?
C23 N3 C34 108.4(8) . . ?
C28 N3 C34 110.4(8) . . ?
C23 N3 K2 106.6(5) . . ?
C28 N3 K2 109.8(5) . . ?
C34 N3 K2 110.4(6) . . ?
C39 N4 C33 109.1(8) . . ?
C39 N4 C27 110.8(8) . . ?
C33 N4 C27 110.9(8) . . ?
C39 N4 K2 109.3(6) . . ?
C33 N4 K2 107.7(5) . . ?
C27 N4 K2 108.8(5) . . ?
C5 O4 C6 110.5(9) . . ?
C5 O4 K1 119.2(6) . . ?
C6 O4 K1 116.2(6) . . ?
C7 O5 C8 111.0(8) . . ?
C7 O5 K1 114.5(6) . . ?
C8 O5 K1 116.0(6) . . ?
C12 O6 C11 110.7(8) . . ?
C12 O6 K1 114.6(5) . . ?
C11 O6 K1 117.1(6) . . ?
C13 O7 C14 110.4(8) . . ?
C13 O7 K1 115.6(5) . . ?
C14 O7 K1 115.9(6) . . ?
C18 O8 C17 111.6(8) . . ?
C18 O8 K1 119.6(6) . . ?
C17 O8 K1 118.8(6) . . ?
C20 O9 C19 110.4(8) . . ?
C20 O9 K1 114.0(6) . . ?
C19 O9 K1 111.3(6) . . ?
C22 O10 C24 111.3(8) . . ?
C22 O10 K2 115.9(6) . . ?
C24 O10 K2 112.6(5) . . ?
C25 O11 C26 111.3(7) . . ?
C25 O11 K2 117.8(5) . . ?
C26 O11 K2 115.0(6) . . ?
C30 O12 C29 110.6(7) . . ?
C30 O12 K2 117.8(5) . . ?
C29 O12 K2 118.7(5) . . ?
C32 O13 C31 109.8(7) . . ?
C32 O13 K2 117.6(5) . . ?
C31 O13 K2 111.5(5) . . ?
C37 O14 C35 116.0(12) . . ?
C37 O14 K2 115.1(7) . . ?
C35 O14 K2 110.5(7) . . ?
C38 O15 C36 120.9(11) . . ?
C38 O15 K2 111.1(7) . . ?
C36 O15 K2 113.8(8) . . ?
N1 C4 C5 114.2(9) . . ?
O4 C5 C4 107.0(9) . . ?
O4 C6 C7 109.0(10) . . ?
O5 C7 C6 109.0(10) . . ?
O5 C8 C9 109.3(8) . . ?
N2 C9 C8 113.9(8) . . ?
N1 C10 C11 113.7(8) . . ?
O6 C11 C10 108.5(9) . . ?
O6 C12 C13 108.5(8) . . ?
O7 C13 C12 109.0(8) . . ?
O7 C14 C15 109.1(9) . . ?
N2 C15 C14 113.8(9) . . ?
N1 C16 C17 113.3(9) . . ?
O8 C17 C16 108.3(9) . . ?
O8 C18 C19 109.4(9) . . ?
O9 C19 C18 108.2(9) . . ?
O9 C20 C21 110.5(9) . . ?
N2 C21 C20 113.6(10) . . ?
O10 C22 C23 110.1(8) . . ?
N3 C23 C22 113.9(8) . . ?
O10 C24 C25 108.6(8) . . ?
O11 C25 C24 108.9(8) . . ?
O11 C26 C27 108.2(8) . . ?
N4 C27 C26 112.6(9) . . ?
N3 C28 C29 113.7(8) . . ?
O12 C29 C28 108.2(8) . . ?
O12 C30 C31 109.0(8) . . ?
O13 C31 C30 108.4(8) . . ?
O13 C32 C33 109.1(8) . . ?
N4 C33 C32 113.2(8) . . ?
C35 C34 N3 113.2(8) . . ?
O14 C35 C34 109.8(9) . . ?
O15 C38 C39 108.0(9) . . ?
N4 C39 C38 113.9(9) . . ?
C41 C40 C45 116.3(11) . . ?
C41 C40 C46 123.5(11) . . ?
C45 C40 C46 120.2(11) . . ?
C42 C41 C40 122.4(12) . . ?
C41 C42 C43 120.5(14) . . ?
C44 C43 C42 117.8(13) . . ?
C45 C44 C43 121.0(12) . . ?
C44 C45 C40 122.0(12) . . ?
C37 C36 O15 113.3(14) . . ?
C36 C37 O14 116.3(16) . . ?

_refine_diff_density_max         5.896
_refine_diff_density_min         -2.764
_refine_diff_density_rms         0.408



_chemical_properties_physical    Air-sensitive,Moisture-sensitive
