# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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. 
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data_mo_2020110901_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 2077551'
_audit_update_record             
;
2021-04-14 deposited with the CCDC.	2021-09-23 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            'C42 H48 K3 N0 Ni6 O24 Sb7'
_chemical_formula_weight         2258.61

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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   26.428(3)
_cell_length_b                   27.683(2)
_cell_length_c                   22.579(2)
_cell_angle_alpha                90
_cell_angle_beta                 111.038(3)
_cell_angle_gamma                90
_cell_volume                     15417(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9946
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      23.31

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.946
_exptl_crystal_F_000             8592
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    4.058
_shelx_estimated_absorpt_T_min   0.497
_shelx_estimated_absorpt_T_max   0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4230
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            45431
_diffrn_reflns_av_unetI/netI     0.0701
_diffrn_reflns_av_R_equivalents  0.0719
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.357
_diffrn_reflns_theta_max         23.334
_diffrn_reflns_theta_full        23.334
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             11299
_reflns_number_gt                6391
_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.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.500 371 83 ' '
2 0.111 0.500 0.344 94 -3 ' '
3 0.143 0.260 0.141 107 0 ' '
4 0.143 0.740 0.141 107 0 ' '
5 0.357 0.240 0.859 107 0 ' '
6 0.357 0.760 0.859 107 0 ' '
7 0.500 0.500 0.500 371 83 ' '
8 0.389 0.000 0.656 94 -3 ' '
9 0.611 0.000 0.344 94 -3 ' '
10 0.643 0.240 0.141 107 0 ' '
11 0.643 0.760 0.141 107 0 ' '
12 0.857 0.260 0.859 107 0 ' '
13 0.857 0.740 0.859 107 0 ' '
14 0.889 0.500 0.656 94 -3 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
The unit cell contains 0.5 ethylenediamine solvates which have been treated as 
a diffuse contribution to the overall scattering without specific atom 
positions by SQUEEZE/PLATON. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_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)+(0.1762P)²+1800.0000P] 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         11299
_refine_ls_number_parameters     946
_refine_ls_number_restraints     933
_refine_ls_R_factor_all          0.1565
_refine_ls_R_factor_gt           0.1144
_refine_ls_wR_factor_ref         0.3800
_refine_ls_wR_factor_gt          0.3327
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      0.994
_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
C1 C 0.2727(17) 0.3544(6) -0.024(2) 0.044(10) Uani 0.5 1 d D U P . .
Sb1 Sb 0.20624(6) 0.57615(5) 0.04820(8) 0.0425(5) Uani 1 1 d . . . . .
O1 O 0.2685(18) 0.3112(6) -0.023(2) 0.091(13) Uani 0.5 1 d D U P . .
Ni1 Ni 0.2695(2) 0.41627(18) -0.0217(3) 0.0390(13) Uani 0.5 1 d D . P . .
Ni4 Ni 0.15419(17) 0.500000 -0.0002(2) 0.0433(10) Uani 1 2 d S T P . .
Sb4 Sb 0.29476(12) 0.43211(10) -0.04918(13) 0.0299(7) Uani 0.5 1 d . . P . .
C2 C 0.2485(15) 0.500000 -0.184(2) 0.068(11) Uani 1 2 d S TU P . .
Sb2 Sb 0.17307(6) 0.44767(6) -0.09101(8) 0.0444(5) Uani 1 1 d . . . . .
O2 O 0.2430(11) 0.500000 -0.2366(13) 0.064(7) Uani 1 2 d S TU P . .
Ni2 Ni 0.2543(2) 0.48585(16) -0.1040(2) 0.0373(14) Uiso 0.5 1 d D . P . .
C3 C 0.4080(17) 0.500000 0.016(2) 0.073(12) Uani 1 2 d S TU P . .
Sb3 Sb 0.32491(6) 0.55222(6) 0.09374(7) 0.0416(5) Uani 1 1 d . . . . .
O3 O 0.4554(12) 0.500000 0.036(2) 0.105(12) Uani 1 2 d S TU P . .
Ni3 Ni 0.3394(2) 0.51503(16) -0.0006(2) 0.0330(14) Uani 0.5 1 d D . P . .
O4 O 0.3337(15) 0.4166(11) -0.0930(15) 0.071(10) Uani 0.5 1 d D U P . .
C4 C 0.3258(8) 0.4483(7) -0.0554(11) 0.082(15) Uani 0.5 1 d D U P . .
O5 O 0.0376(10) 0.500000 -0.0424(14) 0.071(7) Uani 1 2 d S TU P . .
Sb5 Sb 0.54554(12) 0.17489(10) 0.44832(14) 0.0367(7) Uani 0.5 1 d . . P . .
C5 C 0.0832(14) 0.500000 -0.0202(18) 0.055(9) Uani 1 2 d S TU P . .
Ni5 Ni 0.24486(16) 0.500000 0.11168(19) 0.0380(10) Uani 1 2 d S T P . .
Ni10 Ni 0.500000 0.26072(12) 0.500000 0.0302(9) Uani 1 2 d S T P . .
O10 O 0.5886(10) 0.1625(9) 0.4040(12) 0.035(6) Uani 0.5 1 d D U P . .
C10 C 0.5663(8) 0.1909(7) 0.4277(9) 0.042(7) Uani 0.5 1 d D U P . .
O6 O 0.7091(9) 0.2506(7) 0.5402(14) 0.089(8) Uani 1 1 d . U . . .
Sb6 Sb 0.42448(6) 0.19303(5) 0.40834(7) 0.0424(5) Uani 1 1 d . . . . .
Ni6 Ni 0.24808(16) 0.500000 0.0019(2) 0.0687(18) Uani 1 2 d S T P . .
C6 C 0.2434(13) 0.500000 0.1885(16) 0.037(7) Uani 1 2 d S TU P . .
Ni7 Ni 0.51878(17) 0.16645(15) 0.4787(2) 0.0196(10) Uani 0.5 1 d D U P . .
Sb7 Sb 0.57630(6) 0.29760(5) 0.59332(7) 0.0328(4) Uani 1 1 d . . . . .
O7 O 0.5226(17) 0.0621(6) 0.477(2) 0.077(11) Uani 0.5 1 d D U P . .
C7 C 0.5212(15) 0.1051(6) 0.4764(18) 0.028(6) Uani 0.5 1 d D U P . .
O8 O 0.4999(9) 0.2482(6) 0.2615(11) 0.068(6) Uani 1 1 d . U . . .
Sb8 Sb 0.54350(6) 0.32226(6) 0.45308(7) 0.0424(5) Uani 1 1 d . . . . .
C8 C 0.5027(12) 0.2466(8) 0.3132(14) 0.050(7) Uani 1 1 d . U . . .
Ni8 Ni 0.50487(13) 0.24265(13) 0.39276(17) 0.0566(10) Uani 1 1 d D U . . .
K1 K 0.500000 0.2533(2) 0.000000 0.084(4) Uani 1 2 d DS T P . .
K2 K 0.7330(3) 0.24597(18) 0.7018(5) 0.093(3) Uani 1 1 d D . . . .
K3 K -0.0233(4) 0.500000 0.1874(4) 0.063(2) Uani 1 2 d DS TU P . .
K4 K 0.7375(3) 0.000000 0.4902(3) 0.0418(16) Uani 1 2 d DS T P . .
K5 K 0.4888(3) 0.500000 0.2153(4) 0.056(2) Uani 1 2 d DS TU P . .
Ni9 Ni 0.59232(14) 0.24215(15) 0.50002(17) 0.0614(11) Uani 1 1 d D . . . .
C9 C 0.6615(12) 0.2469(9) 0.5177(14) 0.056(7) Uani 1 1 d . U . . .
O9 O 0.2449(10) 0.500000 0.2407(12) 0.055(6) Uani 1 2 d S TU P . .
O11 O 0.0796(8) 0.500000 0.1721(13) 0.074(7) Uani 1 2 d DS TU P . .
C11 C 0.0225(17) 0.3832(15) 0.218(2) 0.24(2) Uani 1 1 d D U . . .
H11A H 0.040152 0.352042 0.215372 0.285 Uiso 1 1 calc DR U . . .
H11B H 0.037641 0.394024 0.262347 0.285 Uiso 1 1 calc DR U . . .
O12 O 0.4763(12) 0.3459(8) 0.0370(15) 0.035(6) Uani 0.5 1 d D U P . .
C12 C 0.0885(17) 0.4008(18) 0.177(3) 0.22(2) Uani 1 1 d D U . . .
H12A H 0.084381 0.373862 0.146862 0.259 Uiso 1 1 calc R U . . .
H12B H 0.116262 0.393585 0.219148 0.259 Uiso 1 1 calc R U . . .
O13 O 0.4157(9) 0.2321(11) 0.0421(14) 0.042(6) Uani 0.5 1 d D U P . .
C13 C 0.0944(16) 0.5433(10) 0.1476(18) 0.110(11) Uani 1 1 d D U . . .
H13A H 0.072864 0.544087 0.101574 0.132 Uiso 1 1 calc R U . . .
H13B H 0.132839 0.539620 0.151770 0.132 Uiso 1 1 calc R U . . .
O14 O 0.4417(12) 0.1780(9) 0.0349(16) 0.045(6) Uani 0.5 1 d D U P . .
C14 C -0.048(2) 0.5788(7) 0.2960(18) 0.25(2) Uani 1 1 d D U . . .
H14A H -0.059695 0.609203 0.310004 0.295 Uiso 1 1 calc DR U . . .
H14B H -0.012162 0.570899 0.328569 0.295 Uiso 1 1 calc R U . . .
O15 O 0.4910(12) 0.1553(7) 0.0327(15) 0.048(7) Uani 0.5 1 d D U P . .
C15 C 0.7247(16) 0.1329(14) 0.7874(16) 0.122(11) Uani 1 1 d D U . . .
H15A H 0.755343 0.142901 0.825847 0.146 Uiso 1 1 calc R U . . .
H15B H 0.719470 0.097504 0.788327 0.146 Uiso 1 1 calc R U . . .
O17 O 0.6890(13) -0.0750(8) 0.5340(16) 0.053(7) Uani 0.5 1 d D U P . .
C17 C 0.6390(10) 0.2359(11) 0.7801(15) 0.116(11) Uani 1 1 d D U . . .
H17A H 0.617281 0.220293 0.802537 0.139 Uiso 1 1 calc R U . . .
H17B H 0.617107 0.238092 0.734229 0.139 Uiso 1 1 calc R U . . .
C16 C 0.6722(14) 0.1611(10) 0.780(2) 0.122(11) Uani 1 1 d D U . . .
H16A H 0.645137 0.156698 0.736517 0.147 Uiso 1 1 calc R U . . .
H16B H 0.656394 0.149622 0.810900 0.147 Uiso 1 1 calc R U . . .
O19 O 0.7590(11) -0.0963(7) 0.4652(16) 0.048(7) Uani 0.5 1 d D U P . .
C19 C 0.7214(18) 0.3458(10) 0.7921(17) 0.181(15) Uani 1 1 d D U . . .
H19A H 0.758169 0.332211 0.812968 0.217 Uiso 1 1 calc R U . . .
H19B H 0.711485 0.365362 0.822974 0.217 Uiso 1 1 calc R U . . .
C18 C 0.6608(15) 0.2858(12) 0.8087(17) 0.101(9) Uani 1 1 d D U . . .
H18A H 0.631228 0.305461 0.813583 0.122 Uiso 1 1 calc R U . . .
H18B H 0.689636 0.281873 0.850945 0.122 Uiso 1 1 calc R U . . .
O20 O 0.7945(9) -0.0794(6) 0.4634(13) 0.030(6) Uani 0.5 1 d D U P . .
C20 C 0.7168(14) 0.3751(14) 0.7323(19) 0.124(11) Uani 1 1 d D U . . .
H20A H 0.682851 0.369564 0.695622 0.149 Uiso 1 1 calc R U . . .
H20B H 0.724593 0.409979 0.740002 0.149 Uiso 1 1 calc R U . . .
O21 O 0.8302(9) -0.0165(7) 0.4577(14) 0.037(6) Uani 0.5 1 d D U P . .
C21 C 0.8426(15) 0.2090(13) 0.6474(15) 0.106(10) Uani 1 1 d D U . . .
H21A H 0.813321 0.210810 0.605202 0.127 Uiso 1 1 calc R U . . .
H21B H 0.870104 0.186019 0.643926 0.127 Uiso 1 1 calc R U . . .
O22 O 0.6562(11) -0.0219(11) 0.5413(16) 0.048(7) Uani 0.5 1 d D U P . .
C22 C 0.7981(14) 0.1424(8) 0.6768(18) 0.120(11) Uani 1 1 d D U . . .
H22A H 0.826606 0.121180 0.672157 0.145 Uiso 1 1 calc R U . . .
H22B H 0.768280 0.143805 0.634957 0.145 Uiso 1 1 calc R U . . .
O23 O 0.8200(10) 0.1894(9) 0.6920(14) 0.133(9) Uani 1 1 d D U . . .
C23 C 0.7761(16) 0.1186(12) 0.725(2) 0.130(12) Uani 1 1 d D U . . .
H23A H 0.762487 0.085794 0.709706 0.156 Uiso 1 1 calc R U . . .
H23B H 0.805655 0.115556 0.766408 0.156 Uiso 1 1 calc R U . . .
O24 O 0.8201(9) 0.2773(10) 0.6663(13) 0.161(11) Uani 1 1 d D U . . .
C24 C 0.8693(13) 0.2594(14) 0.663(3) 0.179(16) Uani 1 1 d D U . . .
H24A H 0.900050 0.260723 0.704482 0.215 Uiso 1 1 calc R U . . .
H24B H 0.879229 0.273740 0.628979 0.215 Uiso 1 1 calc R U . . .
C26 C 0.7821(13) 0.3599(7) 0.6833(16) 0.142(12) Uani 1 1 d D U . . .
H26A H 0.793644 0.394170 0.689417 0.170 Uiso 1 1 calc R U . . .
H26B H 0.752299 0.357271 0.641604 0.170 Uiso 1 1 calc R U . . .
C25 C 0.8304(11) 0.3287(12) 0.6822(18) 0.141(12) Uani 1 1 d D U . . .
H25A H 0.844630 0.343280 0.651191 0.169 Uiso 1 1 calc R U . . .
H25B H 0.859524 0.330970 0.724458 0.169 Uiso 1 1 calc R U . . .
O28 O 0.7320(11) 0.1479(6) 0.7310(11) 0.109(8) Uani 1 1 d D U . . .
C28 C -0.033(2) 0.3738(7) 0.203(3) 0.26(3) Uani 1 1 d D U . . .
H28 H -0.055114 0.379241 0.158086 0.314 Uiso 1 1 calc R U . . .
H1 H -0.039917 0.341353 0.217066 0.314 Uiso 1 1 calc DR U . . .
O27 O 0.6882(9) 0.2118(8) 0.7912(10) 0.105(7) Uani 1 1 d D U . . .
C27 C 0.385(2) 0.1902(16) 0.029(3) 0.051(9) Uani 0.5 1 d . U P . .
O31 O 0.4328(8) 0.4506(7) 0.2788(11) 0.096(7) Uani 1 1 d D U . . .
C30 C 0.4203(11) 0.4025(8) 0.2810(19) 0.130(12) Uani 1 1 d D U . . .
H30A H 0.388817 0.392373 0.243574 0.156 Uiso 1 1 calc R U . . .
H30B H 0.414177 0.393953 0.320445 0.156 Uiso 1 1 calc R U . . .
O30 O 0.6826(11) 0.3092(9) 0.7643(12) 0.140(10) Uani 1 1 d D U . . .
C31 C 0.8439(18) -0.0145(9) 0.424(2) 0.048(10) Uani 0.5 1 d D U P . .
O32 O 0.5684(8) 0.5528(8) 0.1827(12) 0.100(7) Uani 1 1 d D U . . .
C32 C 0.8403(10) -0.0662(6) 0.4475(15) 0.068(6) Uani 1 1 d D U . . .
O33 O 0.4944(8) 0.3990(5) 0.2315(9) 0.087(6) Uani 1 1 d D U . . .
C33 C 0.8151(13) -0.1065(12) 0.475(2) 0.054(9) Uani 0.5 1 d D U P . .
C35 C 0.7999(10) -0.1240(12) 0.4990(19) 0.037(8) Uani 0.5 1 d D U P . .
C34 C -0.0859(17) 0.5408(13) 0.303(2) 0.26(2) Uani 1 1 d D U . . .
H34A H -0.090128 0.541894 0.344555 0.315 Uiso 1 1 calc R U . . .
H34B H -0.121802 0.541925 0.268230 0.315 Uiso 1 1 calc DR U . . .
O35 O -0.0369(16) 0.5910(8) 0.2411(15) 0.194(15) Uani 1 1 d D U . . .
O36 O 0.7624(10) 0.3466(7) 0.7313(12) 0.139(9) Uani 1 1 d D U . . .
C36 C 0.4746(12) 0.3818(10) 0.2797(15) 0.123(12) Uani 1 1 d D U . . .
H36A H 0.502983 0.388392 0.321577 0.147 Uiso 1 1 calc R U . . .
H36B H 0.470695 0.346312 0.275328 0.147 Uiso 1 1 calc R U . . .
O37 O -0.053(3) 0.500000 0.297(2) 0.27(3) Uani 1 2 d DS TU P . .
C37 C 0.7434(9) -0.1323(9) 0.5026(12) 0.059(6) Uani 1 1 d D U . . .
O38 O 0.7257(12) -0.0949(6) 0.5349(14) 0.051(7) Uani 0.5 1 d D U P . .
C39 C 0.6734(16) -0.1066(12) 0.538(3) 0.067(10) Uani 0.5 1 d D U P . .
O39 O 0.4091(9) 0.2723(11) 0.0388(15) 0.039(6) Uani 0.5 1 d D U P . .
C40 C 0.6519(13) -0.0624(11) 0.5639(18) 0.092(8) Uani 1 1 d D U . . .
O40 O 0.4501(11) 0.3312(8) 0.0354(14) 0.039(6) Uani 0.5 1 d D U P . .
C41 C 0.6390(18) 0.000000 0.568(2) 0.083(10) Uani 1 2 d S TU P . .
C42 C 0.5495(19) 0.3721(16) -0.001(2) 0.039(10) Uani 0.5 1 d . U P . .
C43 C 0.500000 0.3850(13) 0.000000 0.065(9) Uani 1 2 d S TU P . .
C45 C 0.4235(19) 0.3576(18) 0.040(2) 0.052(9) Uani 0.5 1 d . U P . .
C46 C 0.4097(18) 0.3146(17) 0.075(2) 0.039(8) Uani 0.5 1 d . U P . .
C48 C 0.3898(18) 0.2408(17) 0.068(2) 0.037(7) Uani 0.5 1 d . U P . .
C47 C 0.4052(17) 0.3169(16) 0.042(2) 0.029(6) Uani 0.5 1 d . U P . .
C49 C 0.436(2) 0.150(2) 0.032(3) 0.050(9) Uani 0.5 1 d . U P . .
C50 C 0.4404(19) 0.1310(17) 0.005(3) 0.046(9) Uani 0.5 1 d . U P . .
C51 C 0.500000 0.1219(15) 0.000000 0.075(11) Uani 1 2 d S TU P . .
C53 C 0.4084(18) 0.2704(17) 0.073(2) 0.032(6) Uani 0.5 1 d . U P . .
C54 C 0.5507(13) 0.3936(7) 0.1816(15) 0.115(12) Uani 1 1 d D U . . .
H54A H 0.517888 0.389682 0.142992 0.139 Uiso 1 1 calc R U . . .
H54B H 0.579481 0.373999 0.174984 0.139 Uiso 1 1 calc R U . . .
C56 C 0.5378(13) 0.3692(12) 0.2365(16) 0.123(10) Uani 1 1 d D U . . .
H56A H 0.527173 0.334940 0.227772 0.148 Uiso 1 1 calc R U . . .
H56B H 0.567866 0.372334 0.277952 0.148 Uiso 1 1 calc R U . . .
C55 C 0.3932(11) 0.4759(9) 0.2925(15) 0.102(11) Uani 1 1 d D U . . .
H55 H 0.357709 0.465272 0.261721 0.123 Uiso 1 1 calc R U . . .
H2 H 0.394706 0.465273 0.334940 0.123 Uiso 1 1 calc R U . . .
C57 C 0.6023(15) 0.5250(8) 0.160(2) 0.123(11) Uani 1 1 d D U . . .
H57A H 0.594475 0.535171 0.115454 0.148 Uiso 1 1 calc R U . . .
H57B H 0.639948 0.535172 0.184279 0.148 Uiso 1 1 calc R U . . .
C58 C 0.421(2) 0.1869(17) 0.071(2) 0.045(8) Uani 0.5 1 d . U P . .
C38 C 0.6860(11) -0.1200(12) 0.502(2) 0.057(10) Uani 0.5 1 d D U P . .
O29 O 0.0397(13) 0.4189(9) 0.1790(19) 0.205(16) Uani 1 1 d D U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.202(17) . ?
C1 Ni1 1.717(16) . ?
C1 Sb4 2.35(2) . ?
Sb1 Ni4 2.540(3) . ?
Sb1 Ni5 2.548(3) . ?
Sb1 Ni1 2.688(6) 6_565 ?
Sb1 Ni6 2.756(3) . ?
Sb1 Sb3 3.003(2) . ?
Sb1 Sb2 3.018(2) 6_565 ?
Ni1 Sb4 1.149(6) . ?
Ni1 C4 2.10(2) . ?
Ni1 Ni6 2.488(5) . ?
Ni1 Ni3 2.573(8) 6_565 ?
Ni1 Ni2 2.606(7) . ?
Ni1 Sb2 2.614(6) . ?
Ni1 Sb3 2.638(6) 6_565 ?
Ni4 C5 1.76(3) . ?
Ni4 Ni6 2.465(6) . ?
Ni4 Sb2 2.698(4) 6_565 ?
Ni4 Sb2 2.698(4) . ?
Ni4 Ni5 2.789(6) . ?
Sb4 C4 0.988(19) . ?
Sb4 O4 1.72(3) . ?
Sb4 Ni3 1.951(6) 6_565 ?
Sb4 Ni2 1.985(6) . ?
Sb4 Ni2 2.624(5) 6_565 ?
Sb4 Ni3 2.633(5) . ?
Sb4 Ni6 2.721(4) . ?
Sb4 Sb2 3.040(3) . ?
Sb4 Sb3 3.064(3) 6_565 ?
C2 O2 1.14(4) . ?
C2 Ni2 1.81(4) . ?
C2 Ni2 1.81(4) 6_565 ?
Sb2 Ni2 2.503(5) . ?
Sb2 Ni6 2.728(4) . ?
Sb2 Sb2 2.897(3) 6_565 ?
Sb2 Ni2 2.921(5) 6_565 ?
Sb2 K3 4.040(9) 5_565 ?
Ni2 Ni2 0.784(9) 6_565 ?
Ni2 C4 2.089(19) . ?
Ni2 Ni6 2.486(7) . ?
Ni2 Ni3 2.596(7) 6_565 ?
Ni2 Ni3 2.719(7) . ?
C3 O3 1.17(5) . ?
C3 Ni3 1.77(4) . ?
C3 Ni3 1.77(4) 6_565 ?
Sb3 Ni3 2.516(5) . ?
Sb3 Ni5 2.710(3) . ?
Sb3 Ni6 2.737(4) . ?
Sb3 Sb3 2.891(3) 6_565 ?
Sb3 Ni3 2.955(5) 6_565 ?
Ni3 Ni3 0.832(9) 6_565 ?
Ni3 C4 1.54(2) 6_565 ?
Ni3 C4 2.179(19) . ?
Ni3 Ni6 2.468(6) . ?
O4 C4 1.290(19) . ?
O5 C5 1.13(4) . ?
O5 K3 3.16(3) 5_565 ?
Sb5 C10 0.948(19) . ?
Sb5 Ni7 1.173(5) . ?
Sb5 O10 1.80(2) . ?
Sb5 C7 2.20(2) . ?
Sb5 Ni8 2.298(5) . ?
Sb5 Ni9 2.307(5) . ?
Sb5 Ni7 2.769(5) 2_656 ?
Sb5 Sb6 3.038(3) . ?
Sb5 Ni10 3.076(4) . ?
Sb5 Sb6 3.084(3) 2_656 ?
C5 K3 3.53(4) 5_565 ?
Ni5 C6 1.75(3) . ?
Ni5 Ni6 2.512(6) . ?
Ni10 Ni9 2.493(3) . ?
Ni10 Ni9 2.493(3) 2_656 ?
Ni10 Sb8 2.494(3) . ?
Ni10 Sb8 2.494(3) 2_656 ?
Ni10 Ni8 2.521(3) . ?
Ni10 Ni8 2.521(3) 2_656 ?
Ni10 Sb7 2.5490(19) 2_656 ?
Ni10 Sb7 2.549(2) . ?
Ni10 Ni7 2.731(5) . ?
Ni10 Ni7 2.731(5) 2_656 ?
Ni10 Sb6 2.969(3) 2_656 ?
Ni10 Sb6 2.969(3) . ?
O10 C10 1.215(17) . ?
C10 Ni9 2.085(18) . ?
C10 Ni8 2.095(18) . ?
C10 Ni7 2.099(19) . ?
O6 C9 1.18(3) . ?
Sb6 Ni7 2.537(5) . ?
Sb6 Ni7 2.559(5) 2_656 ?
Sb6 Ni9 2.643(4) 2_656 ?
Sb6 Ni8 2.657(4) . ?
Sb6 Sb7 2.895(2) 2_656 ?
C6 O9 1.17(4) . ?
Ni7 Ni7 1.610(8) 2_656 ?
Ni7 C7 1.702(15) . ?
Ni7 C7 2.41(3) 2_656 ?
Ni7 Ni9 2.780(6) . ?
Ni7 Ni8 2.800(6) . ?
Sb7 Ni8 2.738(3) 2_656 ?
Sb7 Ni9 2.759(3) . ?
Sb7 Sb8 3.034(2) 2_656 ?
Sb7 Sb8 3.045(2) . ?
O7 C7 1.190(16) . ?
C7 C7 1.80(7) 2_656 ?
O8 C8 1.14(3) . ?
Sb8 Ni9 2.593(4) . ?
Sb8 Ni8 2.599(4) . ?
C8 Ni8 1.78(3) . ?
Ni8 Ni9 2.681(5) . ?
K1 O13 2.779(17) . ?
K1 O13 2.779(17) 2_655 ?
K1 O40 2.790(18) 2_655 ?
K1 O40 2.790(18) . ?
K1 O12 2.835(17) 2_655 ?
K1 O12 2.835(17) . ?
K1 O15 2.844(17) 2_655 ?
K1 O15 2.844(17) . ?
K1 O14 2.866(18) . ?
K1 O14 2.866(18) 2_655 ?
K1 O39 2.885(17) 2_655 ?
K1 O39 2.885(17) . ?
K2 O28 2.796(14) . ?
K2 O24 2.831(17) . ?
K2 O27 2.843(16) . ?
K2 O23 2.855(17) . ?
K2 O30 2.859(17) . ?
K2 O36 2.905(18) . ?
K2 C22 3.493(18) . ?
K2 C26 3.493(18) . ?
K2 C19 3.51(2) . ?
K2 C17 3.539(18) . ?
K3 O29 2.842(18) 6_565 ?
K3 O29 2.842(18) . ?
K3 O37 2.86(2) . ?
K3 O11 2.862(16) . ?
K3 O35 2.874(19) . ?
K3 O35 2.874(19) 6_565 ?
K3 C11 3.43(4) . ?
K3 C11 3.43(4) 6_565 ?
K3 C14 3.511(19) 6_565 ?
K3 C14 3.511(19) . ?
K3 C28 3.53(2) 6_565 ?
K4 O17 2.799(17) 6 ?
K4 O17 2.799(17) . ?
K4 O19 2.826(17) . ?
K4 O19 2.826(17) 6 ?
K4 O21 2.836(16) 6 ?
K4 O21 2.836(16) . ?
K4 O22 2.843(17) . ?
K4 O22 2.843(17) 6 ?
K4 O20 2.850(16) 6 ?
K4 O20 2.850(16) . ?
K4 O38 2.871(17) . ?
K4 O38 2.871(17) 6 ?
K5 O31 2.764(13) 6_565 ?
K5 O31 2.764(13) . ?
K5 O33 2.816(14) 6_565 ?
K5 O33 2.817(14) . ?
K5 O32 2.866(15) . ?
K5 O32 2.866(15) 6_565 ?
Ni9 C9 1.73(3) . ?
O11 C13 1.433(18) . ?
O11 C13 1.433(18) 6_565 ?
C11 C28 1.403(14) . ?
C11 O29 1.495(19) . ?
O12 O40 0.79(3) . ?
O12 C42 1.12(5) 2_655 ?
O12 C45 1.46(5) . ?
O12 C43 1.63(4) . ?
C12 O29 1.398(19) . ?
C12 C13 1.71(5) 6_565 ?
O13 C48 1.07(5) . ?
O13 O39 1.12(4) . ?
O13 C53 1.32(5) . ?
O13 C27 1.39(5) . ?
O13 C58 1.39(5) . ?
O13 O14 1.68(4) . ?
O14 C49 0.79(6) . ?
O14 C58 1.15(5) . ?
O14 C50 1.46(6) . ?
O14 O15 1.46(4) . ?
O14 C27 1.50(6) . ?
C14 O35 1.411(18) . ?
C14 C34 1.500(16) . ?
O15 C51 1.26(4) . ?
O15 C50 1.42(5) . ?
O15 C49 1.44(6) . ?
O15 O15 1.71(6) 2_655 ?
C15 O28 1.417(19) . ?
C15 C16 1.547(10) . ?
O17 C39 0.98(4) . ?
O17 O38 1.11(3) . ?
O17 C40 1.420(18) . ?
O17 C38 1.43(2) . ?
O17 O22 1.74(4) . ?
C17 O27 1.401(18) . ?
C17 C18 1.546(10) . ?
C16 O27 1.462(19) . ?
O19 O20 1.06(3) . ?
O19 C35 1.32(4) . ?
O19 C33 1.444(19) . ?
O19 C37 1.46(4) . ?
C19 O30 1.417(19) . ?
C19 C20 1.543(10) . ?
C18 O30 1.475(19) . ?
O20 C33 0.91(3) . ?
O20 C32 1.428(18) . ?
O20 C35 1.451(19) . ?
C20 O36 1.447(19) . ?
O21 O21 0.91(4) 6 ?
O21 C31 0.95(4) . ?
O21 C31 1.28(4) 6 ?
O21 C32 1.437(17) . ?
C21 O23 1.448(19) . ?
C21 C24 1.546(10) . ?
O22 C41 1.06(4) . ?
O22 O22 1.21(6) 6 ?
O22 C40 1.26(4) . ?
C22 O23 1.416(19) . ?
C22 C23 1.546(10) . ?
C23 O28 1.468(19) . ?
O24 C24 1.41(2) . ?
O24 C25 1.470(19) . ?
C26 O36 1.410(18) . ?
C26 C25 1.549(10) . ?
C28 O35 1.33(5) 6_565 ?
C27 C58 1.09(6) . ?
C27 C48 1.63(7) . ?
C27 C49 1.75(8) . ?
O31 C30 1.378(18) . ?
O31 C55 1.382(16) . ?
C30 C36 1.553(10) . ?
C31 C31 0.80(5) 6 ?
C31 C32 1.540(10) . ?
O32 C57 1.410(19) . ?
O32 C54 1.55(3) 6_565 ?
C32 C33 1.543(10) . ?
O33 C56 1.384(17) . ?
O33 C36 1.447(17) . ?
C33 C35 0.91(3) . ?
C35 C37 1.544(10) . ?
C34 O37 1.45(2) . ?
C37 O38 1.438(14) . ?
C37 C38 1.546(10) . ?
O38 C38 1.26(4) . ?
O38 C39 1.444(19) . ?
C39 C38 1.06(5) . ?
C39 C40 1.550(10) . ?
O39 C53 0.77(4) . ?
O39 C47 1.24(5) . ?
O39 C48 1.30(5) . ?
O39 C46 1.43(6) . ?
C40 C41 1.77(3) . ?
O40 C45 1.05(4) . ?
O40 C47 1.31(5) . ?
O40 C42 1.37(5) 2_655 ?
O40 C46 1.69(5) . ?
C42 C43 1.37(4) . ?
C42 C45 1.38(6) 2_655 ?
C45 C47 1.23(7) . ?
C45 C46 1.55(7) . ?
C46 C47 0.73(5) . ?
C46 C53 1.22(6) . ?
C48 C53 0.94(6) . ?
C48 C58 1.70(7) . ?
C47 C53 1.45(7) . ?
C49 C50 0.85(6) . ?
C49 C58 1.49(8) . ?
C50 C51 1.64(5) . ?
C54 C56 1.552(10) . ?
C55 C55 1.34(5) 6_565 ?
C57 C57 1.38(5) 6_565 ?

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
O1 C1 Ni1 170(4) . . ?
O1 C1 Sb4 161(4) . . ?
Ni1 C1 Sb4 27.6(5) . . ?
Ni4 Sb1 Ni5 66.49(12) . . ?
Ni4 Sb1 Ni1 99.59(15) . 6_565 ?
Ni5 Sb1 Ni1 100.78(15) . 6_565 ?
Ni4 Sb1 Ni6 55.30(11) . . ?
Ni5 Sb1 Ni6 56.37(11) . . ?
Ni1 Sb1 Ni6 54.39(13) 6_565 . ?
Ni4 Sb1 Sb3 107.57(10) . . ?
Ni5 Sb1 Sb3 57.76(9) . . ?
Ni1 Sb1 Sb3 54.90(13) 6_565 . ?
Ni6 Sb1 Sb3 56.57(9) . . ?
Ni4 Sb1 Sb2 57.32(10) . 6_565 ?
Ni5 Sb1 Sb2 108.24(10) . 6_565 ?
Ni1 Sb1 Sb2 54.17(13) 6_565 6_565 ?
Ni6 Sb1 Sb2 56.17(9) . 6_565 ?
Sb3 Sb1 Sb2 100.70(6) . 6_565 ?
Sb4 Ni1 C1 108.6(15) . . ?
Sb4 Ni1 C4 10.5(7) . . ?
C1 Ni1 C4 111.2(15) . . ?
Sb4 Ni1 Ni6 88.9(3) . . ?
C1 Ni1 Ni6 162.5(14) . . ?
C4 Ni1 Ni6 85.9(5) . . ?
Sb4 Ni1 Ni3 45.6(3) . 6_565 ?
C1 Ni1 Ni3 134.6(14) . 6_565 ?
C4 Ni1 Ni3 36.7(6) . 6_565 ?
Ni6 Ni1 Ni3 58.34(18) . 6_565 ?
Sb4 Ni1 Ni2 45.9(3) . . ?
C1 Ni1 Ni2 135.4(16) . . ?
C4 Ni1 Ni2 51.4(6) . . ?
Ni6 Ni1 Ni2 58.36(18) . . ?
Ni3 Ni1 Ni2 60.2(2) 6_565 . ?
Sb4 Ni1 Sb2 100.4(4) . . ?
C1 Ni1 Sb2 111.2(15) . . ?
C4 Ni1 Sb2 108.0(6) . . ?
Ni6 Ni1 Sb2 64.57(16) . . ?
Ni3 Ni1 Sb2 110.2(2) 6_565 . ?
Ni2 Ni1 Sb2 57.29(16) . . ?
Sb4 Ni1 Sb3 100.5(4) . 6_565 ?
C1 Ni1 Sb3 110.1(16) . 6_565 ?
C4 Ni1 Sb3 90.2(7) . 6_565 ?
Ni6 Ni1 Sb3 64.46(16) . 6_565 ?
Ni3 Ni1 Sb3 57.71(17) 6_565 6_565 ?
Ni2 Ni1 Sb3 110.4(2) . 6_565 ?
Sb2 Ni1 Sb3 123.9(2) . 6_565 ?
Sb4 Ni1 Sb1 153.1(4) . 6_565 ?
C1 Ni1 Sb1 98.3(14) . 6_565 ?
C4 Ni1 Sb1 148.4(6) . 6_565 ?
Ni6 Ni1 Sb1 64.19(15) . 6_565 ?
Ni3 Ni1 Sb1 112.9(2) 6_565 6_565 ?
Ni2 Ni1 Sb1 113.1(2) . 6_565 ?
Sb2 Ni1 Sb1 69.36(15) . 6_565 ?
Sb3 Ni1 Sb1 68.63(14) 6_565 6_565 ?
C5 Ni4 Ni6 167.2(13) . . ?
C5 Ni4 Sb1 118.1(4) . . ?
Ni6 Ni4 Sb1 66.79(10) . . ?
C5 Ni4 Sb1 118.1(4) . 6_565 ?
Ni6 Ni4 Sb1 66.79(10) . 6_565 ?
Sb1 Ni4 Sb1 112.18(18) . 6_565 ?
C5 Ni4 Sb2 106.0(10) . 6_565 ?
Ni6 Ni4 Sb2 63.59(12) . 6_565 ?
Sb1 Ni4 Sb2 70.27(7) . 6_565 ?
Sb1 Ni4 Sb2 123.59(15) 6_565 6_565 ?
C5 Ni4 Sb2 106.0(10) . . ?
Ni6 Ni4 Sb2 63.59(12) . . ?
Sb1 Ni4 Sb2 123.60(15) . . ?
Sb1 Ni4 Sb2 70.26(7) 6_565 . ?
Sb2 Ni4 Sb2 64.93(12) 6_565 . ?
C5 Ni4 Ni5 136.1(13) . . ?
Ni6 Ni4 Ni5 56.71(15) . . ?
Sb1 Ni4 Ni5 56.88(9) . . ?
Sb1 Ni4 Ni5 56.88(9) 6_565 . ?
Sb2 Ni4 Ni5 110.81(14) 6_565 . ?
Sb2 Ni4 Ni5 110.81(14) . . ?
C4 Sb4 Ni1 157.4(14) . . ?
C4 Sb4 O4 48.1(14) . . ?
Ni1 Sb4 O4 143.1(11) . . ?
C4 Sb4 Ni3 51.2(12) . 6_565 ?
Ni1 Sb4 Ni3 109.5(4) . 6_565 ?
O4 Sb4 Ni3 98.3(11) . 6_565 ?
C4 Sb4 Ni2 81.9(12) . . ?
Ni1 Sb4 Ni2 109.6(4) . . ?
O4 Sb4 Ni2 97.3(12) . . ?
Ni3 Sb4 Ni2 82.5(2) 6_565 . ?
C4 Sb4 C1 137.8(15) . . ?
Ni1 Sb4 C1 43.8(10) . . ?
O4 Sb4 C1 99.3(14) . . ?
Ni3 Sb4 C1 134.6(11) 6_565 . ?
Ni2 Sb4 C1 135.4(11) . . ?
C4 Sb4 Ni2 76.0(11) . 6_565 ?
Ni1 Sb4 Ni2 111.6(3) . 6_565 ?
O4 Sb4 Ni2 99.8(12) . 6_565 ?
Ni3 Sb4 Ni2 71.2(2) 6_565 6_565 ?
Ni2 Sb4 Ni2 11.40(14) . 6_565 ?
C1 Sb4 Ni2 144.3(11) . 6_565 ?
C4 Sb4 Ni3 52.6(11) . . ?
Ni1 Sb4 Ni3 111.6(3) . . ?
O4 Sb4 Ni3 100.7(11) . . ?
Ni3 Sb4 Ni3 12.06(14) 6_565 . ?
Ni2 Sb4 Ni3 70.6(2) . . ?
C1 Sb4 Ni3 144.1(11) . . ?
Ni2 Sb4 Ni3 59.19(17) 6_565 . ?
C4 Sb4 Ni6 105.8(11) . . ?
Ni1 Sb4 Ni6 66.1(3) . . ?
O4 Sb4 Ni6 150.7(11) . . ?
Ni3 Sb4 Ni6 61.20(17) 6_565 . ?
Ni2 Sb4 Ni6 61.44(18) . . ?
C1 Sb4 Ni6 109.9(10) . . ?
Ni2 Sb4 Ni6 55.39(14) 6_565 . ?
Ni3 Sb4 Ni6 54.88(14) . . ?
C4 Sb4 Sb2 136.9(12) . . ?
Ni1 Sb4 Sb2 57.8(3) . . ?
O4 Sb4 Sb2 130.0(12) . . ?
Ni3 Sb4 Sb2 115.27(18) 6_565 . ?
Ni2 Sb4 Sb2 55.03(16) . . ?
C1 Sb4 Sb2 83.0(10) . . ?
Ni2 Sb4 Sb2 61.58(13) 6_565 . ?
Ni3 Sb4 Sb2 105.75(14) . . ?
Ni6 Sb4 Sb2 56.20(10) . . ?
C4 Sb4 Sb3 99.8(14) . 6_565 ?
Ni1 Sb4 Sb3 57.8(3) . 6_565 ?
O4 Sb4 Sb3 131.2(12) . 6_565 ?
Ni3 Sb4 Sb3 54.95(16) 6_565 6_565 ?
Ni2 Sb4 Sb3 115.42(18) . 6_565 ?
C1 Sb4 Sb3 82.4(11) . 6_565 ?
Ni2 Sb4 Sb3 106.41(14) 6_565 6_565 ?
Ni3 Sb4 Sb3 61.95(13) . 6_565 ?
Ni6 Sb4 Sb3 56.10(10) . 6_565 ?
Sb2 Sb4 Sb3 98.82(9) . 6_565 ?
O2 C2 Ni2 167.3(8) . . ?
O2 C2 Ni2 167.3(8) . 6_565 ?
Ni2 C2 Ni2 25.0(6) . 6_565 ?
Ni2 Sb2 Ni1 61.18(17) . . ?
Ni2 Sb2 Ni4 105.24(14) . . ?
Ni1 Sb2 Ni4 97.48(16) . . ?
Ni2 Sb2 Ni6 56.55(15) . . ?
Ni1 Sb2 Ni6 55.48(13) . . ?
Ni4 Sb2 Ni6 54.03(12) . . ?
Ni2 Sb2 Sb2 65.02(11) . 6_565 ?
Ni1 Sb2 Sb2 109.42(12) . 6_565 ?
Ni4 Sb2 Sb2 57.53(6) . 6_565 ?
Ni6 Sb2 Sb2 57.93(6) . 6_565 ?
Ni2 Sb2 Ni2 14.07(16) . 6_565 ?
Ni1 Sb2 Ni2 71.11(16) . 6_565 ?
Ni4 Sb2 Ni2 94.65(12) . 6_565 ?
Ni6 Sb2 Ni2 52.07(13) . 6_565 ?
Sb2 Sb2 Ni2 50.95(10) 6_565 6_565 ?
Ni2 Sb2 Sb1 105.90(13) . 6_565 ?
Ni1 Sb2 Sb1 56.47(13) . 6_565 ?
Ni4 Sb2 Sb1 52.41(8) . 6_565 ?
Ni6 Sb2 Sb1 57.05(8) . 6_565 ?
Sb2 Sb2 Sb1 102.63(4) 6_565 6_565 ?
Ni2 Sb2 Sb1 107.06(11) 6_565 6_565 ?
Ni2 Sb2 Sb4 40.54(13) . . ?
Ni1 Sb2 Sb4 21.82(13) . . ?
Ni4 Sb2 Sb4 107.67(11) . . ?
Ni6 Sb2 Sb4 55.98(9) . . ?
Sb2 Sb2 Sb4 98.15(6) 6_565 . ?
Ni2 Sb2 Sb4 52.19(11) 6_565 . ?
Sb1 Sb2 Sb4 76.46(7) 6_565 . ?
Ni2 Sb2 K3 120.07(14) . 5_565 ?
Ni1 Sb2 K3 176.17(17) . 5_565 ?
Ni4 Sb2 K3 78.71(14) . 5_565 ?
Ni6 Sb2 K3 121.67(10) . 5_565 ?
Sb2 Sb2 K3 68.99(5) 6_565 5_565 ?
Ni2 Sb2 K3 109.46(12) 6_565 5_565 ?
Sb1 Sb2 K3 120.12(12) 6_565 5_565 ?
Sb4 Sb2 K3 160.23(11) . 5_565 ?
Ni2 Ni2 C2 77.5(3) 6_565 . ?
Ni2 Ni2 Sb4 138.54(16) 6_565 . ?
C2 Ni2 Sb4 128.4(7) . . ?
Ni2 Ni2 C4 119.8(5) 6_565 . ?
C2 Ni2 C4 111.7(12) . . ?
Sb4 Ni2 C4 27.9(6) . . ?
Ni2 Ni2 Ni6 80.93(11) 6_565 . ?
C2 Ni2 Ni6 156.9(5) . . ?
Sb4 Ni2 Ni6 74.02(19) . . ?
C4 Ni2 Ni6 86.1(6) . . ?
Ni2 Ni2 Sb2 114.97(11) 6_565 . ?
C2 Ni2 Sb2 116.3(11) . . ?
Sb4 Ni2 Sb2 84.43(19) . . ?
C4 Ni2 Sb2 112.4(6) . . ?
Ni6 Ni2 Sb2 66.30(15) . . ?
Ni2 Ni2 Ni3 90.54(14) 6_565 6_565 ?
C2 Ni2 Ni3 129.7(12) . 6_565 ?
Sb4 Ni2 Ni3 48.16(17) . 6_565 ?
C4 Ni2 Ni3 36.3(6) . 6_565 ?
Ni6 Ni2 Ni3 58.07(18) . 6_565 ?
Sb2 Ni2 Ni3 113.1(2) . 6_565 ?
Ni2 Ni2 Ni1 137.66(16) 6_565 . ?
C2 Ni2 Ni1 144.3(4) . . ?
Sb4 Ni2 Ni1 24.54(15) . . ?
C4 Ni2 Ni1 51.6(6) . . ?
Ni6 Ni2 Ni1 58.46(16) . . ?
Sb2 Ni2 Ni1 61.53(18) . . ?
Ni3 Ni2 Ni1 59.3(2) 6_565 . ?
Ni2 Ni2 Sb4 30.06(12) 6_565 6_565 ?
C2 Ni2 Sb4 99.2(6) . 6_565 ?
Sb4 Ni2 Sb4 108.5(3) . 6_565 ?
C4 Ni2 Sb4 92.5(6) . 6_565 ?
Ni6 Ni2 Sb4 64.27(14) . 6_565 ?
Sb2 Ni2 Sb4 122.1(2) . 6_565 ?
Ni3 Ni2 Sb4 60.58(16) 6_565 6_565 ?
Ni1 Ni2 Sb4 111.8(2) . 6_565 ?
Ni2 Ni2 Ni3 72.72(14) 6_565 . ?
C2 Ni2 Ni3 122.9(10) . . ?
Sb4 Ni2 Ni3 65.94(19) . . ?
C4 Ni2 Ni3 51.9(5) . . ?
Ni6 Ni2 Ni3 56.41(17) . . ?
Sb2 Ni2 Ni3 120.3(2) . . ?
Ni3 Ni2 Ni3 17.8(2) 6_565 . ?
Ni1 Ni2 Ni3 74.8(2) . . ?
Sb4 Ni2 Ni3 42.78(14) 6_565 . ?
Ni2 Ni2 Sb2 50.95(10) 6_565 6_565 ?
C2 Ni2 Sb2 99.5(8) . 6_565 ?
Sb4 Ni2 Sb2 131.3(2) . 6_565 ?
C4 Ni2 Sb2 145.0(6) . 6_565 ?
Ni6 Ni2 Sb2 59.96(13) . 6_565 ?
Sb2 Ni2 Sb2 64.03(13) . 6_565 ?
Ni3 Ni2 Sb2 110.2(2) 6_565 6_565 ?
Ni1 Ni2 Sb2 108.9(2) . 6_565 ?
Sb4 Ni2 Sb2 66.23(13) 6_565 6_565 ?
Ni3 Ni2 Sb2 97.90(18) . 6_565 ?
O3 C3 Ni3 163(3) . . ?
O3 C3 Ni3 163(3) . 6_565 ?
Ni3 C3 Ni3 27.2(7) . 6_565 ?
Ni3 Sb3 Ni1 59.85(17) . 6_565 ?
Ni3 Sb3 Ni5 105.80(13) . . ?
Ni1 Sb3 Ni5 97.92(15) 6_565 . ?
Ni3 Sb3 Ni6 55.87(14) . . ?
Ni1 Sb3 Ni6 55.12(13) 6_565 . ?
Ni5 Sb3 Ni6 54.91(12) . . ?
Ni3 Sb3 Sb3 65.84(11) . 6_565 ?
Ni1 Sb3 Sb3 109.31(12) 6_565 6_565 ?
Ni5 Sb3 Sb3 57.76(5) . 6_565 ?
Ni6 Sb3 Sb3 58.12(6) . 6_565 ?
Ni3 Sb3 Ni3 14.88(16) . 6_565 ?
Ni1 Sb3 Ni3 70.46(16) 6_565 6_565 ?
Ni5 Sb3 Ni3 94.68(12) . 6_565 ?
Ni6 Sb3 Ni3 51.22(13) . 6_565 ?
Sb3 Sb3 Ni3 50.95(9) 6_565 6_565 ?
Ni3 Sb3 Sb1 104.94(13) . . ?
Ni1 Sb3 Sb1 56.47(13) 6_565 . ?
Ni5 Sb3 Sb1 52.66(7) . . ?
Ni6 Sb3 Sb1 57.15(8) . . ?
Sb3 Sb3 Sb1 102.75(4) 6_565 . ?
Ni3 Sb3 Sb1 106.35(11) 6_565 . ?
Ni3 Sb3 Sb4 39.40(13) . 6_565 ?
Ni1 Sb3 Sb4 21.63(13) 6_565 6_565 ?
Ni5 Sb3 Sb4 108.12(11) . 6_565 ?
Ni6 Sb3 Sb4 55.59(9) . 6_565 ?
Sb3 Sb3 Sb4 98.13(6) 6_565 6_565 ?
Ni3 Sb3 Sb4 51.84(11) 6_565 6_565 ?
Sb1 Sb3 Sb4 76.31(7) . 6_565 ?
Ni3 Ni3 C4 131.2(8) 6_565 6_565 ?
Ni3 Ni3 C3 76.4(3) 6_565 . ?
C4 Ni3 C3 104.3(14) 6_565 . ?
Ni3 Ni3 Sb4 138.60(17) 6_565 6_565 ?
C4 Ni3 Sb4 30.1(7) 6_565 6_565 ?
C3 Ni3 Sb4 131.4(9) . 6_565 ?
Ni3 Ni3 C4 32.1(6) 6_565 . ?
C4 Ni3 C4 99.1(15) 6_565 . ?
C3 Ni3 C4 82.3(10) . . ?
Sb4 Ni3 C4 111.9(6) 6_565 . ?
Ni3 Ni3 Ni6 80.29(11) 6_565 . ?
C4 Ni3 Ni6 100.4(7) 6_565 . ?
C3 Ni3 Ni6 153.5(8) . . ?
Sb4 Ni3 Ni6 74.97(19) 6_565 . ?
C4 Ni3 Ni6 84.7(5) . . ?
Ni3 Ni3 Sb3 114.15(11) 6_565 . ?
C4 Ni3 Sb3 110.4(9) 6_565 . ?
C3 Ni3 Sb3 112.2(15) . . ?
Sb4 Ni3 Sb3 85.65(19) 6_565 . ?
C4 Ni3 Sb3 141.6(6) . . ?
Ni6 Ni3 Sb3 66.61(15) . . ?
Ni3 Ni3 Ni1 137.65(15) 6_565 6_565 ?
C4 Ni3 Ni1 54.5(8) 6_565 6_565 ?
C3 Ni3 Ni1 145.8(4) . 6_565 ?
Sb4 Ni3 Ni1 24.88(16) 6_565 6_565 ?
C4 Ni3 Ni1 124.0(6) . 6_565 ?
Ni6 Ni3 Ni1 59.10(16) . 6_565 ?
Sb3 Ni3 Ni1 62.44(17) . 6_565 ?
Ni3 Ni3 Ni2 89.47(14) 6_565 6_565 ?
C4 Ni3 Ni2 53.6(7) 6_565 6_565 ?
C3 Ni3 Ni2 132.6(15) . 6_565 ?
Sb4 Ni3 Ni2 49.29(18) 6_565 6_565 ?
C4 Ni3 Ni2 64.4(6) . 6_565 ?
Ni6 Ni3 Ni2 58.72(19) . 6_565 ?
Sb3 Ni3 Ni2 114.8(2) . 6_565 ?
Ni1 Ni3 Ni2 60.5(2) 6_565 6_565 ?
Ni3 Ni3 Sb4 29.34(13) 6_565 . ?
C4 Ni3 Sb4 107.4(8) 6_565 . ?
C3 Ni3 Sb4 98.9(7) . . ?
Sb4 Ni3 Sb4 109.3(3) 6_565 . ?
C4 Ni3 Sb4 21.1(5) . . ?
Ni6 Ni3 Sb4 64.36(13) . . ?
Sb3 Ni3 Sb4 121.87(19) . . ?
Ni1 Ni3 Sb4 112.5(2) 6_565 . ?
Ni2 Ni3 Sb4 60.23(16) 6_565 . ?
Ni3 Ni3 Ni2 72.72(14) 6_565 . ?
C4 Ni3 Ni2 67.8(8) 6_565 . ?
C3 Ni3 Ni2 125.4(14) . . ?
Sb4 Ni3 Ni2 66.01(19) 6_565 . ?
C4 Ni3 Ni2 49.0(5) . . ?
Ni6 Ni3 Ni2 57.02(18) . . ?
Sb3 Ni3 Ni2 121.2(2) . . ?
Ni1 Ni3 Ni2 75.1(2) 6_565 . ?
Ni2 Ni3 Ni2 16.7(2) 6_565 . ?
Sb4 Ni3 Ni2 43.50(14) . . ?
Ni3 Ni3 Sb3 50.95(9) 6_565 6_565 ?
C4 Ni3 Sb3 160.2(7) 6_565 6_565 ?
C3 Ni3 Sb3 95.2(11) . 6_565 ?
Sb4 Ni3 Sb3 132.0(2) 6_565 6_565 ?
C4 Ni3 Sb3 80.7(6) . 6_565 ?
Ni6 Ni3 Sb3 59.82(13) . 6_565 ?
Sb3 Ni3 Sb3 63.20(12) . 6_565 ?
Ni1 Ni3 Sb3 109.2(2) 6_565 6_565 ?
Ni2 Ni3 Sb3 110.37(19) 6_565 6_565 ?
Sb4 Ni3 Sb3 66.21(12) . 6_565 ?
Ni2 Ni3 Sb3 98.68(17) . 6_565 ?
C4 O4 Sb4 34.8(12) . . ?
Sb4 C4 O4 97(2) . . ?
Sb4 C4 Ni3 98.7(16) . 6_565 ?
O4 C4 Ni3 159(2) . 6_565 ?
Sb4 C4 Ni2 70.2(11) . . ?
O4 C4 Ni2 109(2) . . ?
Ni3 C4 Ni2 90.1(9) 6_565 . ?
Sb4 C4 Ni1 12.2(8) . . ?
O4 C4 Ni1 105(2) . . ?
Ni3 C4 Ni1 88.8(10) 6_565 . ?
Ni2 C4 Ni1 77.0(7) . . ?
Sb4 C4 Ni3 106.3(14) . . ?
O4 C4 Ni3 157(2) . . ?
Ni3 C4 Ni3 16.7(3) 6_565 . ?
Ni2 C4 Ni3 79.1(6) . . ?
Ni1 C4 Ni3 98.4(8) . . ?
C5 O5 K3 100(3) . 5_565 ?
C10 Sb5 Ni7 163.4(11) . . ?
C10 Sb5 O10 38.9(12) . . ?
Ni7 Sb5 O10 157.5(9) . . ?
C10 Sb5 C7 146.4(13) . . ?
Ni7 Sb5 C7 49.9(8) . . ?
O10 Sb5 C7 107.6(11) . . ?
C10 Sb5 Ni8 65.8(11) . . ?
Ni7 Sb5 Ni8 102.7(3) . . ?
O10 Sb5 Ni8 96.7(9) . . ?
C7 Sb5 Ni8 138.3(9) . . ?
C10 Sb5 Ni9 64.6(11) . . ?
Ni7 Sb5 Ni9 101.0(3) . . ?
O10 Sb5 Ni9 96.0(8) . . ?
C7 Sb5 Ni9 136.2(10) . . ?
Ni8 Sb5 Ni9 71.22(14) . . ?
C10 Sb5 Ni7 156.8(10) . 2_656 ?
Ni7 Sb5 Ni7 6.65(15) . 2_656 ?
O10 Sb5 Ni7 164.1(8) . 2_656 ?
C7 Sb5 Ni7 56.6(8) . 2_656 ?
Ni8 Sb5 Ni7 97.29(15) . 2_656 ?
Ni9 Sb5 Ni7 95.68(15) . 2_656 ?
C10 Sb5 Sb6 120.7(12) . . ?
Ni7 Sb5 Sb6 54.2(3) . . ?
O10 Sb5 Sb6 132.5(9) . . ?
C7 Sb5 Sb6 81.1(9) . . ?
Ni8 Sb5 Sb6 57.76(11) . . ?
Ni9 Sb5 Sb6 109.44(13) . . ?
Ni7 Sb5 Sb6 52.03(11) 2_656 . ?
C10 Sb5 Ni10 101.5(10) . . ?
Ni7 Sb5 Ni10 62.1(2) . . ?
O10 Sb5 Ni10 140.4(8) . . ?
C7 Sb5 Ni10 112.0(8) . . ?
Ni8 Sb5 Ni10 53.59(10) . . ?
Ni9 Sb5 Ni10 52.86(10) . . ?
Ni7 Sb5 Ni10 55.41(11) 2_656 . ?
Sb6 Sb5 Ni10 58.09(6) . . ?
C10 Sb5 Sb6 117.6(12) . 2_656 ?
Ni7 Sb5 Sb6 53.1(3) . 2_656 ?
O10 Sb5 Sb6 129.8(9) . 2_656 ?
C7 Sb5 Sb6 80.3(9) . 2_656 ?
Ni8 Sb5 Sb6 109.48(13) . 2_656 ?
Ni9 Sb5 Sb6 56.53(11) . 2_656 ?
Ni7 Sb5 Sb6 51.01(11) 2_656 2_656 ?
Sb6 Sb5 Sb6 97.54(9) . 2_656 ?
Ni10 Sb5 Sb6 57.61(6) . 2_656 ?
O5 C5 Ni4 169(4) . . ?
O5 C5 K3 62(2) . 5_565 ?
Ni4 C5 K3 107.5(15) . 5_565 ?
C6 Ni5 Ni6 179.3(11) . . ?
C6 Ni5 Sb1 114.3(4) . . ?
Ni6 Ni5 Sb1 66.00(10) . . ?
C6 Ni5 Sb1 114.3(5) . 6_565 ?
Ni6 Ni5 Sb1 66.00(10) . 6_565 ?
Sb1 Ni5 Sb1 111.69(17) . 6_565 ?
C6 Ni5 Sb3 116.4(9) . . ?
Ni6 Ni5 Sb3 63.09(11) . . ?
Sb1 Ni5 Sb3 69.58(7) . . ?
Sb1 Ni5 Sb3 122.26(14) 6_565 . ?
C6 Ni5 Sb3 116.4(9) . 6_565 ?
Ni6 Ni5 Sb3 63.09(11) . 6_565 ?
Sb1 Ni5 Sb3 122.27(14) . 6_565 ?
Sb1 Ni5 Sb3 69.57(7) 6_565 6_565 ?
Sb3 Ni5 Sb3 64.47(11) . 6_565 ?
C6 Ni5 Ni4 125.6(11) . . ?
Ni6 Ni5 Ni4 55.12(15) . . ?
Sb1 Ni5 Ni4 56.63(9) . . ?
Sb1 Ni5 Ni4 56.63(9) 6_565 . ?
Sb3 Ni5 Ni4 109.11(14) . . ?
Sb3 Ni5 Ni4 109.11(14) 6_565 . ?
Ni9 Ni10 Ni9 156.2(3) . 2_656 ?
Ni9 Ni10 Sb8 62.66(11) . . ?
Ni9 Ni10 Sb8 137.82(14) 2_656 . ?
Ni9 Ni10 Sb8 137.82(14) . 2_656 ?
Ni9 Ni10 Sb8 62.65(10) 2_656 2_656 ?
Sb8 Ni10 Sb8 93.84(14) . 2_656 ?
Ni9 Ni10 Ni8 64.65(11) . . ?
Ni9 Ni10 Ni8 110.27(12) 2_656 . ?
Sb8 Ni10 Ni8 62.43(10) . . ?
Sb8 Ni10 Ni8 137.22(13) 2_656 . ?
Ni9 Ni10 Ni8 110.26(12) . 2_656 ?
Ni9 Ni10 Ni8 64.64(11) 2_656 2_656 ?
Sb8 Ni10 Ni8 137.21(13) . 2_656 ?
Sb8 Ni10 Ni8 62.43(10) 2_656 2_656 ?
Ni8 Ni10 Ni8 157.1(2) . 2_656 ?
Ni9 Ni10 Sb7 124.50(9) . 2_656 ?
Ni9 Ni10 Sb7 66.35(9) 2_656 2_656 ?
Sb8 Ni10 Sb7 73.97(8) . 2_656 ?
Sb8 Ni10 Sb7 74.28(8) 2_656 2_656 ?
Ni8 Ni10 Sb7 65.39(9) . 2_656 ?
Ni8 Ni10 Sb7 125.13(9) 2_656 2_656 ?
Ni9 Ni10 Sb7 66.34(9) . . ?
Ni9 Ni10 Sb7 124.50(9) 2_656 . ?
Sb8 Ni10 Sb7 74.28(8) . . ?
Sb8 Ni10 Sb7 73.97(8) 2_656 . ?
Ni8 Ni10 Sb7 125.13(9) . . ?
Ni8 Ni10 Sb7 65.38(9) 2_656 . ?
Sb7 Ni10 Sb7 132.79(16) 2_656 . ?
Ni9 Ni10 Ni7 64.11(14) . . ?
Ni9 Ni10 Ni7 92.44(16) 2_656 . ?
Sb8 Ni10 Ni7 115.94(10) . . ?
Sb8 Ni10 Ni7 150.22(12) 2_656 . ?
Ni8 Ni10 Ni7 64.29(14) . . ?
Ni8 Ni10 Ni7 93.12(16) 2_656 . ?
Sb7 Ni10 Ni7 112.15(12) 2_656 . ?
Sb7 Ni10 Ni7 112.85(12) . . ?
Ni9 Ni10 Ni7 92.44(16) . 2_656 ?
Ni9 Ni10 Ni7 64.11(14) 2_656 2_656 ?
Sb8 Ni10 Ni7 150.22(12) . 2_656 ?
Sb8 Ni10 Ni7 115.93(10) 2_656 2_656 ?
Ni8 Ni10 Ni7 93.12(16) . 2_656 ?
Ni8 Ni10 Ni7 64.29(14) 2_656 2_656 ?
Sb7 Ni10 Ni7 112.85(12) 2_656 2_656 ?
Sb7 Ni10 Ni7 112.15(12) . 2_656 ?
Ni7 Ni10 Ni7 34.29(18) . 2_656 ?
Ni9 Ni10 Sb6 57.09(10) . 2_656 ?
Ni9 Ni10 Sb6 106.43(13) 2_656 2_656 ?
Sb8 Ni10 Sb6 115.48(5) . 2_656 ?
Sb8 Ni10 Sb6 115.60(5) 2_656 2_656 ?
Ni8 Ni10 Sb6 106.92(12) . 2_656 ?
Ni8 Ni10 Sb6 57.21(9) 2_656 2_656 ?
Sb7 Ni10 Sb6 164.46(13) 2_656 2_656 ?
Sb7 Ni10 Sb6 62.75(5) . 2_656 ?
Ni7 Ni10 Sb6 53.15(11) . 2_656 ?
Ni7 Ni10 Sb6 52.65(11) 2_656 2_656 ?
Ni9 Ni10 Sb6 106.43(13) . . ?
Ni9 Ni10 Sb6 57.09(10) 2_656 . ?
Sb8 Ni10 Sb6 115.60(5) . . ?
Sb8 Ni10 Sb6 115.48(5) 2_656 . ?
Ni8 Ni10 Sb6 57.21(9) . . ?
Ni8 Ni10 Sb6 106.92(12) 2_656 . ?
Sb7 Ni10 Sb6 62.75(5) 2_656 . ?
Sb7 Ni10 Sb6 164.46(13) . . ?
Ni7 Ni10 Sb6 52.65(11) . . ?
Ni7 Ni10 Sb6 53.15(11) 2_656 . ?
Sb6 Ni10 Sb6 101.71(12) 2_656 . ?
C10 O10 Sb5 29.3(11) . . ?
Sb5 C10 O10 112(2) . . ?
Sb5 C10 Ni9 91.1(12) . . ?
O10 C10 Ni9 135.1(19) . . ?
Sb5 C10 Ni8 89.9(12) . . ?
O10 C10 Ni8 135.2(19) . . ?
Ni9 C10 Ni8 79.8(6) . . ?
Sb5 C10 Ni7 9.2(6) . . ?
O10 C10 Ni7 120.9(18) . . ?
Ni9 C10 Ni7 83.3(7) . . ?
Ni8 C10 Ni7 83.8(7) . . ?
Ni7 Sb6 Ni7 36.84(18) . 2_656 ?
Ni7 Sb6 Ni9 93.56(13) . 2_656 ?
Ni7 Sb6 Ni9 64.59(13) 2_656 2_656 ?
Ni7 Sb6 Ni8 65.20(13) . . ?
Ni7 Sb6 Ni8 94.03(13) 2_656 . ?
Ni9 Sb6 Ni8 101.81(10) 2_656 . ?
Ni7 Sb6 Sb7 107.40(11) . 2_656 ?
Ni7 Sb6 Sb7 107.42(11) 2_656 2_656 ?
Ni9 Sb6 Sb7 59.56(9) 2_656 2_656 ?
Ni8 Sb6 Sb7 58.92(8) . 2_656 ?
Ni7 Sb6 Ni10 58.86(11) . . ?
Ni7 Sb6 Ni10 58.67(11) 2_656 . ?
Ni9 Sb6 Ni10 52.37(7) 2_656 . ?
Ni8 Sb6 Ni10 52.88(7) . . ?
Sb7 Sb6 Ni10 51.52(6) 2_656 . ?
Ni7 Sb6 Sb5 22.01(11) . . ?
Ni7 Sb6 Sb5 58.57(11) 2_656 . ?
Ni9 Sb6 Sb5 107.90(10) 2_656 . ?
Ni8 Sb6 Sb5 47.00(10) . . ?
Sb7 Sb6 Sb5 99.84(7) 2_656 . ?
Ni10 Sb6 Sb5 61.60(7) . . ?
Ni7 Sb6 Sb5 58.05(11) . 2_656 ?
Ni7 Sb6 Sb5 21.50(11) 2_656 2_656 ?
Ni9 Sb6 Sb5 46.72(10) 2_656 2_656 ?
Ni8 Sb6 Sb5 107.86(10) . 2_656 ?
Sb7 Sb6 Sb5 100.04(7) 2_656 2_656 ?
Ni10 Sb6 Sb5 61.06(7) . 2_656 ?
Sb5 Sb6 Sb5 79.33(9) . 2_656 ?
Ni4 Ni6 Ni3 170.04(12) . 6_565 ?
Ni4 Ni6 Ni3 170.04(12) . . ?
Ni3 Ni6 Ni3 19.4(2) 6_565 . ?
Ni4 Ni6 Ni2 113.3(2) . 6_565 ?
Ni3 Ni6 Ni2 66.58(19) 6_565 6_565 ?
Ni3 Ni6 Ni2 63.21(19) . 6_565 ?
Ni4 Ni6 Ni2 113.3(2) . . ?
Ni3 Ni6 Ni2 63.21(19) 6_565 . ?
Ni3 Ni6 Ni2 66.58(19) . . ?
Ni2 Ni6 Ni2 18.1(2) 6_565 . ?
Ni4 Ni6 Ni1 107.49(17) . . ?
Ni3 Ni6 Ni1 62.55(19) 6_565 . ?
Ni3 Ni6 Ni1 81.5(2) . . ?
Ni2 Ni6 Ni1 80.9(2) 6_565 . ?
Ni2 Ni6 Ni1 63.18(18) . . ?
Ni4 Ni6 Ni1 107.49(17) . 6_565 ?
Ni3 Ni6 Ni1 81.5(2) 6_565 6_565 ?
Ni3 Ni6 Ni1 62.55(19) . 6_565 ?
Ni2 Ni6 Ni1 63.18(18) 6_565 6_565 ?
Ni2 Ni6 Ni1 80.9(2) . 6_565 ?
Ni1 Ni6 Ni1 137.3(3) . 6_565 ?
Ni4 Ni6 Ni5 68.17(17) . . ?
Ni3 Ni6 Ni5 113.7(2) 6_565 . ?
Ni3 Ni6 Ni5 113.7(2) . . ?
Ni2 Ni6 Ni5 170.77(11) 6_565 . ?
Ni2 Ni6 Ni5 170.77(11) . . ?
Ni1 Ni6 Ni5 107.58(16) . . ?
Ni1 Ni6 Ni5 107.59(16) 6_565 . ?
Ni4 Ni6 Sb4 126.74(13) . 6_565 ?
Ni3 Ni6 Sb4 60.76(15) 6_565 6_565 ?
Ni3 Ni6 Sb4 43.83(14) . 6_565 ?
Ni2 Ni6 Sb4 44.54(14) 6_565 6_565 ?
Ni2 Ni6 Sb4 60.33(15) . 6_565 ?
Ni1 Ni6 Sb4 112.4(2) . 6_565 ?
Ni1 Ni6 Sb4 24.97(14) 6_565 6_565 ?
Ni5 Ni6 Sb4 126.83(13) . 6_565 ?
Ni4 Ni6 Sb4 126.74(13) . . ?
Ni3 Ni6 Sb4 43.83(14) 6_565 . ?
Ni3 Ni6 Sb4 60.75(15) . . ?
Ni2 Ni6 Sb4 60.33(15) 6_565 . ?
Ni2 Ni6 Sb4 44.54(14) . . ?
Ni1 Ni6 Sb4 24.97(14) . . ?
Ni1 Ni6 Sb4 112.4(2) 6_565 . ?
Ni5 Ni6 Sb4 126.83(13) . . ?
Sb4 Ni6 Sb4 87.38(17) 6_565 . ?
Ni4 Ni6 Sb2 62.38(12) . 6_565 ?
Ni3 Ni6 Sb2 121.25(19) 6_565 6_565 ?
Ni3 Ni6 Sb2 109.86(17) . 6_565 ?
Ni2 Ni6 Sb2 57.15(14) 6_565 6_565 ?
Ni2 Ni6 Sb2 67.97(15) . 6_565 ?
Ni1 Ni6 Sb2 119.2(2) . 6_565 ?
Ni1 Ni6 Sb2 59.95(15) 6_565 6_565 ?
Ni5 Ni6 Sb2 119.08(15) . 6_565 ?
Sb4 Ni6 Sb2 67.82(10) 6_565 6_565 ?
Sb4 Ni6 Sb2 110.86(16) . 6_565 ?
Ni4 Ni6 Sb2 62.38(12) . . ?
Ni3 Ni6 Sb2 109.86(17) 6_565 . ?
Ni3 Ni6 Sb2 121.24(19) . . ?
Ni2 Ni6 Sb2 67.97(15) 6_565 . ?
Ni2 Ni6 Sb2 57.15(14) . . ?
Ni1 Ni6 Sb2 59.95(15) . . ?
Ni1 Ni6 Sb2 119.2(2) 6_565 . ?
Ni5 Ni6 Sb2 119.08(15) . . ?
Sb4 Ni6 Sb2 110.86(16) 6_565 . ?
Sb4 Ni6 Sb2 67.82(10) . . ?
Sb2 Ni6 Sb2 64.15(11) 6_565 . ?
O9 C6 Ni5 177(3) . . ?
Sb5 Ni7 Ni7 168.5(3) . 2_656 ?
Sb5 Ni7 C7 98.3(12) . . ?
Ni7 Ni7 C7 93.2(12) 2_656 . ?
Sb5 Ni7 C10 7.4(5) . . ?
Ni7 Ni7 C10 161.2(5) 2_656 . ?
C7 Ni7 C10 105.6(13) . . ?
Sb5 Ni7 C7 146.6(7) . 2_656 ?
Ni7 Ni7 C7 44.9(7) 2_656 2_656 ?
C7 Ni7 C7 48.3(18) . 2_656 ?
C10 Ni7 C7 153.9(8) . 2_656 ?
Sb5 Ni7 Sb6 103.8(3) . . ?
Ni7 Ni7 Sb6 72.3(3) 2_656 . ?
C7 Ni7 Sb6 108.0(13) . . ?
C10 Ni7 Sb6 102.1(6) . . ?
C7 Ni7 Sb6 89.3(9) 2_656 . ?
Sb5 Ni7 Sb6 105.4(3) . 2_656 ?
Ni7 Ni7 Sb6 70.8(3) 2_656 2_656 ?
C7 Ni7 Sb6 107.6(13) . 2_656 ?
C10 Ni7 Sb6 101.7(6) . 2_656 ?
C7 Ni7 Sb6 88.4(9) 2_656 2_656 ?
Sb6 Ni7 Sb6 129.31(18) . 2_656 ?
Sb5 Ni7 Ni10 95.7(3) . . ?
Ni7 Ni7 Ni10 72.86(9) 2_656 . ?
C7 Ni7 Ni10 166.1(12) . . ?
C10 Ni7 Ni10 88.3(5) . . ?
C7 Ni7 Ni10 117.7(7) 2_656 . ?
Sb6 Ni7 Ni10 68.49(11) . . ?
Sb6 Ni7 Ni10 68.19(11) 2_656 . ?
Sb5 Ni7 Sb5 163.7(4) . 2_656 ?
Ni7 Ni7 Sb5 4.84(11) 2_656 2_656 ?
C7 Ni7 Sb5 98.1(12) . 2_656 ?
C10 Ni7 Sb5 156.3(5) . 2_656 ?
C7 Ni7 Sb5 49.7(7) 2_656 2_656 ?
Sb6 Ni7 Sb5 70.94(13) . 2_656 ?
Sb6 Ni7 Sb5 69.40(13) 2_656 2_656 ?
Ni10 Ni7 Sb5 68.02(12) . 2_656 ?
Sb5 Ni7 Ni9 54.5(2) . . ?
Ni7 Ni7 Ni9 116.1(2) 2_656 . ?
C7 Ni7 Ni9 136.6(12) . . ?
C10 Ni7 Ni9 48.1(5) . . ?
C7 Ni7 Ni9 147.6(9) 2_656 . ?
Sb6 Ni7 Ni9 111.00(17) . . ?
Sb6 Ni7 Ni9 59.18(12) 2_656 . ?
Ni10 Ni7 Ni9 53.79(10) . . ?
Sb5 Ni7 Ni9 111.96(17) 2_656 . ?
Sb5 Ni7 Ni8 53.2(2) . . ?
Ni7 Ni7 Ni8 117.3(2) 2_656 . ?
C7 Ni7 Ni8 136.7(13) . . ?
C10 Ni7 Ni8 48.1(5) . . ?
C7 Ni7 Ni8 148.8(9) 2_656 . ?
Sb6 Ni7 Ni8 59.48(12) . . ?
Sb6 Ni7 Ni8 111.00(17) 2_656 . ?
Ni10 Ni7 Ni8 54.20(10) . . ?
Sb5 Ni7 Ni8 113.14(17) 2_656 . ?
Ni9 Ni7 Ni8 57.43(13) . . ?
Ni10 Sb7 Ni8 56.81(9) . 2_656 ?
Ni10 Sb7 Ni9 55.86(8) . . ?
Ni8 Sb7 Ni9 96.88(13) 2_656 . ?
Ni10 Sb7 Sb6 65.73(8) . 2_656 ?
Ni8 Sb7 Sb6 56.21(9) 2_656 2_656 ?
Ni9 Sb7 Sb6 55.68(9) . 2_656 ?
Ni10 Sb7 Sb8 52.19(6) . 2_656 ?
Ni8 Sb7 Sb8 53.22(8) 2_656 2_656 ?
Ni9 Sb7 Sb8 106.77(9) . 2_656 ?
Sb6 Sb7 Sb8 102.64(6) 2_656 2_656 ?
Ni10 Sb7 Sb8 52.03(6) . . ?
Ni8 Sb7 Sb8 107.55(9) 2_656 . ?
Ni9 Sb7 Sb8 52.79(9) . . ?
Sb6 Sb7 Sb8 102.27(6) 2_656 . ?
Sb8 Sb7 Sb8 73.64(5) 2_656 . ?
O7 C7 Ni7 177(4) . . ?
O7 C7 C7 91(3) . 2_656 ?
Ni7 C7 C7 86.8(12) . 2_656 ?
O7 C7 Sb5 151(3) . . ?
Ni7 C7 Sb5 31.8(5) . . ?
C7 C7 Sb5 118.6(8) 2_656 . ?
O7 C7 Ni7 136(3) . 2_656 ?
Ni7 C7 Ni7 41.9(6) . 2_656 ?
C7 C7 Ni7 44.9(7) 2_656 2_656 ?
Sb5 C7 Ni7 73.7(5) . 2_656 ?
Ni10 Sb8 Ni9 58.66(10) . . ?
Ni10 Sb8 Ni8 59.29(10) . . ?
Ni9 Sb8 Ni8 62.18(13) . . ?
Ni10 Sb8 Sb7 53.85(4) . 2_656 ?
Ni9 Sb8 Sb7 104.67(10) . 2_656 ?
Ni8 Sb8 Sb7 57.55(8) . 2_656 ?
Ni10 Sb8 Sb7 53.69(4) . . ?
Ni9 Sb8 Sb7 57.94(8) . . ?
Ni8 Sb8 Sb7 105.46(10) . . ?
Sb7 Sb8 Sb7 100.42(5) 2_656 . ?
O8 C8 Ni8 178(3) . . ?
C8 Ni8 C10 99.3(9) . . ?
C8 Ni8 Sb5 116.2(7) . . ?
C10 Ni8 Sb5 24.4(5) . . ?
C8 Ni8 Ni10 164.3(7) . . ?
C10 Ni8 Ni10 94.3(5) . . ?
Sb5 Ni8 Ni10 79.21(16) . . ?
C8 Ni8 Sb8 109.9(8) . . ?
C10 Ni8 Sb8 106.1(6) . . ?
Sb5 Ni8 Sb8 112.79(16) . . ?
Ni10 Ni8 Sb8 58.28(10) . . ?
C8 Ni8 Sb6 115.3(9) . . ?
C10 Ni8 Sb6 98.3(6) . . ?
Sb5 Ni8 Sb6 75.24(14) . . ?
Ni10 Ni8 Sb6 69.91(11) . . ?
Sb8 Ni8 Sb6 123.45(12) . . ?
C8 Ni8 Ni9 128.1(9) . . ?
C10 Ni8 Ni9 49.9(5) . . ?
Sb5 Ni8 Ni9 54.55(14) . . ?
Ni10 Ni8 Ni9 57.18(10) . . ?
Sb8 Ni8 Ni9 58.80(11) . . ?
Sb6 Ni8 Ni9 110.41(17) . . ?
C8 Ni8 Sb7 109.8(8) . 2_656 ?
C10 Ni8 Sb7 150.4(5) . 2_656 ?
Sb5 Ni8 Sb7 128.54(17) . 2_656 ?
Ni10 Ni8 Sb7 57.81(8) . 2_656 ?
Sb8 Ni8 Sb7 69.23(9) . 2_656 ?
Sb6 Ni8 Sb7 64.88(9) . 2_656 ?
Ni9 Ni8 Sb7 110.86(13) . 2_656 ?
C8 Ni8 Ni7 134.0(7) . . ?
C10 Ni8 Ni7 48.2(5) . . ?
Sb5 Ni8 Ni7 24.11(12) . . ?
Ni10 Ni8 Ni7 61.50(14) . . ?
Sb8 Ni8 Ni7 110.27(15) . . ?
Sb6 Ni8 Ni7 55.32(12) . . ?
Ni9 Ni8 Ni7 60.91(15) . . ?
Sb7 Ni8 Ni7 104.61(15) 2_656 . ?
O13 K1 O13 155.7(13) . 2_655 ?
O13 K1 O40 141.2(9) . 2_655 ?
O13 K1 O40 63.0(8) 2_655 2_655 ?
O13 K1 O40 63.0(8) . . ?
O13 K1 O40 141.2(9) 2_655 . ?
O40 K1 O40 78.7(11) 2_655 . ?
O13 K1 O12 125.5(9) . 2_655 ?
O13 K1 O12 78.5(9) 2_655 2_655 ?
O40 K1 O12 16.2(6) 2_655 2_655 ?
O40 K1 O12 64.1(10) . 2_655 ?
O13 K1 O12 78.5(9) . . ?
O13 K1 O12 125.5(9) 2_655 . ?
O40 K1 O12 64.1(10) 2_655 . ?
O40 K1 O12 16.2(6) . . ?
O12 K1 O12 50.6(13) 2_655 . ?
O13 K1 O15 92.3(9) . 2_655 ?
O13 K1 O15 63.8(9) 2_655 2_655 ?
O40 K1 O15 124.8(9) 2_655 2_655 ?
O40 K1 O15 154.7(9) . 2_655 ?
O12 K1 O15 137.6(10) 2_655 2_655 ?
O12 K1 O15 170.7(9) . 2_655 ?
O13 K1 O15 63.8(9) . . ?
O13 K1 O15 92.3(9) 2_655 . ?
O40 K1 O15 154.7(9) 2_655 . ?
O40 K1 O15 124.8(9) . . ?
O12 K1 O15 170.7(9) 2_655 . ?
O12 K1 O15 137.6(10) . . ?
O15 K1 O15 34.9(14) 2_655 . ?
O13 K1 O14 34.6(9) . . ?
O13 K1 O14 121.1(9) 2_655 . ?
O40 K1 O14 175.6(9) 2_655 . ?
O40 K1 O14 97.3(9) . . ?
O12 K1 O14 159.4(9) 2_655 . ?
O12 K1 O14 112.2(9) . . ?
O15 K1 O14 58.8(9) 2_655 . ?
O15 K1 O14 29.7(9) . . ?
O13 K1 O14 121.1(9) . 2_655 ?
O13 K1 O14 34.6(9) 2_655 2_655 ?
O40 K1 O14 97.3(9) 2_655 2_655 ?
O40 K1 O14 175.6(9) . 2_655 ?
O12 K1 O14 112.2(9) 2_655 2_655 ?
O12 K1 O14 159.4(9) . 2_655 ?
O15 K1 O14 29.7(9) 2_655 2_655 ?
O15 K1 O14 58.8(9) . 2_655 ?
O14 K1 O14 86.7(13) . 2_655 ?
O13 K1 O39 177.2(9) . 2_655 ?
O13 K1 O39 22.8(9) 2_655 2_655 ?
O40 K1 O39 40.7(8) 2_655 2_655 ?
O40 K1 O39 118.4(9) . 2_655 ?
O12 K1 O39 56.6(9) 2_655 2_655 ?
O12 K1 O39 102.8(9) . 2_655 ?
O15 K1 O39 86.5(9) 2_655 2_655 ?
O15 K1 O39 114.2(9) . 2_655 ?
O14 K1 O39 143.6(9) . 2_655 ?
O14 K1 O39 57.3(9) 2_655 2_655 ?
O13 K1 O39 22.8(9) . . ?
O13 K1 O39 177.2(9) 2_655 . ?
O40 K1 O39 118.4(9) 2_655 . ?
O40 K1 O39 40.7(8) . . ?
O12 K1 O39 102.8(9) 2_655 . ?
O12 K1 O39 56.6(9) . . ?
O15 K1 O39 114.2(9) 2_655 . ?
O15 K1 O39 86.5(9) . . ?
O14 K1 O39 57.3(9) . . ?
O14 K1 O39 143.6(9) 2_655 . ?
O39 K1 O39 159.0(13) 2_655 . ?
O28 K2 O24 116.2(8) . . ?
O28 K2 O27 57.9(7) . . ?
O24 K2 O27 153.0(8) . . ?
O28 K2 O23 64.0(7) . . ?
O24 K2 O23 52.2(8) . . ?
O27 K2 O23 115.2(7) . . ?
O28 K2 O30 115.7(8) . . ?
O24 K2 O30 121.5(8) . . ?
O27 K2 O30 57.8(7) . . ?
O23 K2 O30 154.8(9) . . ?
O28 K2 O36 154.4(9) . . ?
O24 K2 O36 66.0(7) . . ?
O27 K2 O36 107.6(7) . . ?
O23 K2 O36 112.8(8) . . ?
O30 K2 O36 55.5(8) . . ?
O28 K2 C22 44.6(6) . . ?
O24 K2 C22 73.0(7) . . ?
O27 K2 C22 101.4(7) . . ?
O23 K2 C22 23.1(4) . . ?
O30 K2 C22 157.9(8) . . ?
O36 K2 C22 135.8(7) . . ?
O28 K2 C26 160.1(8) . . ?
O24 K2 C26 46.7(4) . . ?
O27 K2 C26 130.8(7) . . ?
O23 K2 C26 98.1(7) . . ?
O30 K2 C26 76.4(7) . . ?
O36 K2 C26 23.2(4) . . ?
C22 K2 C26 119.7(6) . . ?
O28 K2 C19 128.1(8) . . ?
O24 K2 C19 99.9(9) . . ?
O27 K2 C19 72.8(8) . . ?
O23 K2 C19 135.8(10) . . ?
O30 K2 C19 22.9(5) . . ?
O36 K2 C19 35.4(8) . . ?
C22 K2 C19 153.0(11) . . ?
C26 K2 C19 58.2(7) . . ?
O28 K2 C17 74.8(7) . . ?
O24 K2 C17 162.4(8) . . ?
O27 K2 C17 22.1(4) . . ?
O23 K2 C17 136.5(8) . . ?
O30 K2 C17 42.9(8) . . ?
O36 K2 C17 98.0(7) . . ?
C22 K2 C17 119.4(7) . . ?
C26 K2 C17 119.3(7) . . ?
C19 K2 C17 63.2(8) . . ?
O29 K3 O29 104.3(15) 6_565 . ?
O29 K3 O37 114.2(11) 6_565 . ?
O29 K3 O37 114.2(11) . . ?
O29 K3 O11 52.2(7) 6_565 . ?
O29 K3 O11 52.2(7) . . ?
O37 K3 O11 132.6(17) . . ?
O29 K3 O35 60.1(10) 6_565 . ?
O29 K3 O35 152.4(12) . . ?
O37 K3 O35 61.3(6) . . ?
O11 K3 O35 108.6(8) . . ?
O29 K3 O35 152.4(12) 6_565 6_565 ?
O29 K3 O35 60.1(10) . 6_565 ?
O37 K3 O35 61.2(6) . 6_565 ?
O11 K3 O35 108.6(8) . 6_565 ?
O35 K3 O35 122.5(12) . 6_565 ?
O29 K3 O5 77.6(9) 6_565 5_565 ?
O29 K3 O5 77.6(9) . 5_565 ?
O37 K3 O5 158.5(17) . 5_565 ?
O11 K3 O5 68.9(7) . 5_565 ?
O35 K3 O5 116.8(7) . 5_565 ?
O35 K3 O5 116.8(7) 6_565 5_565 ?
O29 K3 C11 125.7(13) 6_565 . ?
O29 K3 C11 25.4(5) . . ?
O37 K3 C11 90.9(9) . . ?
O11 K3 C11 75.0(7) . . ?
O35 K3 C11 146.1(11) . . ?
O35 K3 C11 34.8(9) 6_565 . ?
O5 K3 C11 96.2(8) 5_565 . ?
O29 K3 C11 25.4(5) 6_565 6_565 ?
O29 K3 C11 125.7(13) . 6_565 ?
O37 K3 C11 90.9(9) . 6_565 ?
O11 K3 C11 75.0(7) . 6_565 ?
O35 K3 C11 34.8(9) . 6_565 ?
O35 K3 C11 146.1(11) 6_565 6_565 ?
O5 K3 C11 96.2(8) 5_565 6_565 ?
C11 K3 C11 140.7(15) . 6_565 ?
O29 K3 C14 142.9(12) 6_565 6_565 ?
O29 K3 C14 79.4(9) . 6_565 ?
O37 K3 C14 38.4(4) . 6_565 ?
O11 K3 C14 120.4(9) . 6_565 ?
O35 K3 C14 99.6(9) . 6_565 ?
O35 K3 C14 22.9(4) 6_565 6_565 ?
O5 K3 C14 137.8(7) 5_565 6_565 ?
C11 K3 C14 54.3(8) . 6_565 ?
C11 K3 C14 125.9(10) 6_565 6_565 ?
O29 K3 C14 79.4(9) 6_565 . ?
O29 K3 C14 142.9(12) . . ?
O37 K3 C14 38.4(4) . . ?
O11 K3 C14 120.4(9) . . ?
O35 K3 C14 22.9(4) . . ?
O35 K3 C14 99.6(9) 6_565 . ?
O5 K3 C14 137.8(7) 5_565 . ?
C11 K3 C14 125.9(10) . . ?
C11 K3 C14 54.3(8) 6_565 . ?
C14 K3 C14 76.8(8) 6_565 . ?
O29 K3 C28 44.8(4) 6_565 6_565 ?
O29 K3 C28 148.6(13) . 6_565 ?
O37 K3 C28 82.0(8) . 6_565 ?
O11 K3 C28 96.8(7) . 6_565 ?
O35 K3 C28 20.8(10) . 6_565 ?
O35 K3 C28 143.2(11) 6_565 6_565 ?
O5 K3 C28 96.8(10) 5_565 6_565 ?
C11 K3 C28 160.9(17) . 6_565 ?
C11 K3 C28 23.2(2) 6_565 6_565 ?
C14 K3 C28 120.4(10) 6_565 6_565 ?
C14 K3 C28 43.7(9) . 6_565 ?
O17 K4 O17 95.7(10) 6 . ?
O17 K4 O19 157.1(8) 6 . ?
O17 K4 O19 61.4(8) . . ?
O17 K4 O19 61.4(8) 6 6 ?
O17 K4 O19 157.1(8) . 6 ?
O19 K4 O19 141.3(13) . 6 ?
O17 K4 O21 121.3(7) 6 6 ?
O17 K4 O21 139.3(7) . 6 ?
O19 K4 O21 81.1(7) . 6 ?
O19 K4 O21 62.7(7) 6 6 ?
O17 K4 O21 139.3(7) 6 . ?
O17 K4 O21 121.3(7) . . ?
O19 K4 O21 62.7(7) . . ?
O19 K4 O21 81.1(7) 6 . ?
O21 K4 O21 18.5(8) 6 . ?
O17 K4 O22 60.4(8) 6 . ?
O17 K4 O22 36.0(8) . . ?
O19 K4 O22 96.7(9) . . ?
O19 K4 O22 121.2(9) 6 . ?
O21 K4 O22 171.0(9) 6 . ?
O21 K4 O22 156.8(8) . . ?
O17 K4 O22 36.0(8) 6 6 ?
O17 K4 O22 60.4(8) . 6 ?
O19 K4 O22 121.2(9) . 6 ?
O19 K4 O22 96.7(9) 6 6 ?
O21 K4 O22 156.8(8) 6 6 ?
O21 K4 O22 171.0(9) . 6 ?
O22 K4 O22 24.6(12) . 6 ?
O17 K4 O20 81.2(6) 6 6 ?
O17 K4 O20 172.2(9) . 6 ?
O19 K4 O20 121.7(8) . 6 ?
O19 K4 O20 21.6(6) 6 6 ?
O21 K4 O20 41.3(6) 6 6 ?
O21 K4 O20 59.8(6) . 6 ?
O22 K4 O20 141.6(7) . 6 ?
O22 K4 O20 117.1(7) 6 6 ?
O17 K4 O20 172.2(9) 6 . ?
O17 K4 O20 81.2(6) . . ?
O19 K4 O20 21.6(6) . . ?
O19 K4 O20 121.7(8) 6 . ?
O21 K4 O20 59.8(6) 6 . ?
O21 K4 O20 41.3(6) . . ?
O22 K4 O20 117.1(7) . . ?
O22 K4 O20 141.6(7) 6 . ?
O20 K4 O20 100.9(8) 6 . ?
O17 K4 O38 115.7(7) 6 . ?
O17 K4 O38 22.5(7) . . ?
O19 K4 O38 42.4(8) . . ?
O19 K4 O38 171.4(9) 6 . ?
O21 K4 O38 116.8(7) 6 . ?
O21 K4 O38 99.0(7) . . ?
O22 K4 O38 58.0(8) . . ?
O22 K4 O38 81.9(8) 6 . ?
O20 K4 O38 155.9(8) 6 . ?
O20 K4 O38 60.1(6) . . ?
O17 K4 O38 22.5(7) 6 6 ?
O17 K4 O38 115.7(7) . 6 ?
O19 K4 O38 171.4(9) . 6 ?
O19 K4 O38 42.4(8) 6 6 ?
O21 K4 O38 99.0(7) 6 6 ?
O21 K4 O38 116.8(7) . 6 ?
O22 K4 O38 81.9(8) . 6 ?
O22 K4 O38 58.0(8) 6 6 ?
O20 K4 O38 60.1(6) 6 6 ?
O20 K4 O38 155.9(8) . 6 ?
O38 K4 O38 132.5(10) . 6 ?
O31 K5 O31 59.3(8) 6_565 . ?
O31 K5 O33 56.9(5) 6_565 6_565 ?
O31 K5 O33 115.9(6) . 6_565 ?
O31 K5 O33 115.9(6) 6_565 . ?
O31 K5 O33 57.0(5) . . ?
O33 K5 O33 166.1(9) 6_565 . ?
O31 K5 O32 117.4(6) 6_565 . ?
O31 K5 O32 164.7(8) . . ?
O33 K5 O32 61.2(6) 6_565 . ?
O33 K5 O32 122.0(6) . . ?
O31 K5 O32 164.7(8) 6_565 6_565 ?
O31 K5 O32 117.4(6) . 6_565 ?
O33 K5 O32 122.0(6) 6_565 6_565 ?
O33 K5 O32 61.2(6) . 6_565 ?
O32 K5 O32 61.3(10) . 6_565 ?
C9 Ni9 C10 104.8(10) . . ?
C9 Ni9 Sb5 120.5(8) . . ?
C10 Ni9 Sb5 24.3(5) . . ?
C9 Ni9 Ni10 159.6(9) . . ?
C10 Ni9 Ni10 95.3(5) . . ?
Sb5 Ni9 Ni10 79.62(15) . . ?
C9 Ni9 Sb8 111.1(9) . . ?
C10 Ni9 Sb8 106.6(6) . . ?
Sb5 Ni9 Sb8 112.69(16) . . ?
Ni10 Ni9 Sb8 58.68(10) . . ?
C9 Ni9 Sb6 108.6(10) . 2_656 ?
C10 Ni9 Sb6 99.4(6) . 2_656 ?
Sb5 Ni9 Sb6 76.75(15) . 2_656 ?
Ni10 Ni9 Sb6 70.54(11) . 2_656 ?
Sb8 Ni9 Sb6 124.13(12) . 2_656 ?
C9 Ni9 Ni8 134.8(10) . . ?
C10 Ni9 Ni8 50.3(5) . . ?
Sb5 Ni9 Ni8 54.23(14) . . ?
Ni10 Ni9 Ni8 58.17(10) . . ?
Sb8 Ni9 Ni8 59.02(11) . . ?
Sb6 Ni9 Ni8 112.16(17) 2_656 . ?
C9 Ni9 Sb7 102.8(9) . . ?
C10 Ni9 Sb7 151.5(5) . . ?
Sb5 Ni9 Sb7 129.35(17) . . ?
Ni10 Ni9 Sb7 57.80(8) . . ?
Sb8 Ni9 Sb7 69.27(9) . . ?
Sb6 Ni9 Sb7 64.76(9) 2_656 . ?
Ni8 Ni9 Sb7 111.59(12) . . ?
C9 Ni9 Ni7 135.4(8) . . ?
C10 Ni9 Ni7 48.6(5) . . ?
Sb5 Ni9 Ni7 24.46(12) . . ?
Ni10 Ni9 Ni7 62.10(14) . . ?
Sb8 Ni9 Ni7 111.07(15) . . ?
Sb6 Ni9 Ni7 56.23(13) 2_656 . ?
Ni8 Ni9 Ni7 61.66(15) . . ?
Sb7 Ni9 Ni7 105.19(15) . . ?
O6 C9 Ni9 169(3) . . ?
C13 O11 C13 114(4) . 6_565 ?
C13 O11 K3 116.7(18) . . ?
C13 O11 K3 116.7(18) 6_565 . ?
C28 C11 O29 120(2) . . ?
C28 C11 K3 82.3(16) . . ?
O29 C11 K3 54.6(15) . . ?
O40 O12 C42 90(4) . 2_655 ?
O40 O12 C45 44(3) . . ?
C42 O12 C45 63(3) 2_655 . ?
O40 O12 C43 144(4) . . ?
C42 O12 C43 56(3) 2_655 . ?
C45 O12 C43 115(3) . . ?
O40 O12 K1 78.7(18) . . ?
C42 O12 K1 121(3) 2_655 . ?
C45 O12 K1 122(3) . . ?
C43 O12 K1 106.5(15) . . ?
O29 C12 C13 84(3) . 6_565 ?
C48 O13 O39 72(3) . . ?
C48 O13 C53 45(3) . . ?
O39 O13 C53 36(2) . . ?
C48 O13 C27 82(3) . . ?
O39 O13 C27 138(3) . . ?
C53 O13 C27 127(3) . . ?
C48 O13 C58 86(4) . . ?
O39 O13 C58 155(3) . . ?
C53 O13 C58 119(3) . . ?
C27 O13 C58 46(3) . . ?
C48 O13 O14 128(3) . . ?
O39 O13 O14 159.3(19) . . ?
C53 O13 O14 156(3) . . ?
C27 O13 O14 58(2) . . ?
C58 O13 O14 43(2) . . ?
C48 O13 K1 152(3) . . ?
O39 O13 K1 83.9(13) . . ?
C53 O13 K1 107(2) . . ?
C27 O13 K1 126(3) . . ?
C58 O13 K1 113(2) . . ?
O14 O13 K1 75.5(10) . . ?
O11 C13 C12 122(3) . 6_565 ?
C49 O14 C58 99(6) . . ?
C49 O14 C50 27(5) . . ?
C58 O14 C50 126(3) . . ?
C49 O14 O15 73(5) . . ?
C58 O14 O15 140(4) . . ?
C50 O14 O15 58(2) . . ?
C49 O14 C27 94(5) . . ?
C58 O14 C27 46(3) . . ?
C50 O14 C27 108(3) . . ?
O15 O14 C27 166(3) . . ?
C49 O14 O13 145(6) . . ?
C58 O14 O13 55(3) . . ?
C50 O14 O13 154(3) . . ?
O15 O14 O13 141.8(17) . . ?
C27 O14 O13 52(2) . . ?
C49 O14 K1 142(5) . . ?
C58 O14 K1 118(3) . . ?
C50 O14 K1 116(2) . . ?
O15 O14 K1 74.3(10) . . ?
C27 O14 K1 116(2) . . ?
O13 O14 K1 69.9(9) . . ?
O35 C14 C34 128(2) . . ?
O35 C14 K3 52.3(10) . . ?
C34 C14 K3 86.2(15) . . ?
C51 O15 C50 75(3) . . ?
C51 O15 C49 109(3) . . ?
C50 O15 C49 34(3) . . ?
C51 O15 O14 134(3) . . ?
C50 O15 O14 61(3) . . ?
C49 O15 O14 31(2) . . ?
C51 O15 O15 47.3(17) . 2_655 ?
C50 O15 O15 97(3) . 2_655 ?
C49 O15 O15 125(4) . 2_655 ?
O14 O15 O15 124(3) . 2_655 ?
C51 O15 K1 120(2) . . ?
C50 O15 K1 119(2) . . ?
C49 O15 K1 106(3) . . ?
O14 O15 K1 76.0(11) . . ?
O15 O15 K1 72.5(7) 2_655 . ?
O28 C15 C16 99(3) . . ?
C39 O17 O38 87(2) . . ?
C39 O17 C40 78.0(14) . . ?
O38 O17 C40 150(3) . . ?
C39 O17 C38 47(3) . . ?
O38 O17 C38 58(2) . . ?
C40 O17 C38 122(2) . . ?
C39 O17 O22 120(2) . . ?
O38 O17 O22 151(2) . . ?
C40 O17 O22 45.3(16) . . ?
C38 O17 O22 148(3) . . ?
C39 O17 K4 162(3) . . ?
O38 O17 K4 82.4(12) . . ?
C40 O17 K4 117.9(17) . . ?
C38 O17 K4 114(2) . . ?
O22 O17 K4 73.4(9) . . ?
O27 C17 C18 100(3) . . ?
O27 C17 K2 49.8(10) . . ?
C18 C17 K2 85.1(15) . . ?
O27 C16 C15 106(3) . . ?
O20 O19 C35 74.2(19) . . ?
O20 O19 C33 38.9(17) . . ?
C35 O19 C33 38.2(14) . . ?
O20 O19 C37 140(3) . . ?
C35 O19 C37 67.3(16) . . ?
C33 O19 C37 105(2) . . ?
O20 O19 K4 80.5(13) . . ?
C35 O19 K4 128(2) . . ?
C33 O19 K4 115(2) . . ?
C37 O19 K4 114.2(16) . . ?
O30 C19 C20 100(3) . . ?
O30 C19 K2 51.8(11) . . ?
C20 C19 K2 84.4(17) . . ?
O30 C18 C17 107(2) . . ?
C33 O20 O19 94(2) . . ?
C33 O20 C32 79.3(14) . . ?
O19 O20 C32 164(3) . . ?
C33 O20 C35 37(2) . . ?
O19 O20 C35 61(2) . . ?
C32 O20 C35 115.6(17) . . ?
C33 O20 K4 152(4) . . ?
O19 O20 K4 77.9(12) . . ?
C32 O20 K4 114.6(12) . . ?
C35 O20 K4 119.5(17) . . ?
O36 C20 C19 86(2) . . ?
O21 O21 C31 86.7(18) 6 . ?
O21 O21 C31 47.9(15) 6 6 ?
C31 O21 C31 39(2) . 6 ?
O21 O21 C32 163.4(11) 6 . ?
C31 O21 C32 77.5(15) . . ?
C31 O21 C32 116(2) 6 . ?
O21 O21 K4 80.7(4) 6 . ?
C31 O21 K4 144(4) . . ?
C31 O21 K4 120(2) 6 . ?
C32 O21 K4 115.0(13) . . ?
O23 C21 C24 116(3) . . ?
C41 O22 O22 55(2) . 6 ?
C41 O22 C40 99(2) . . ?
O22 O22 C40 153.4(18) 6 . ?
C41 O22 O17 150(3) . . ?
O22 O22 O17 147.5(9) 6 . ?
C40 O22 O17 53.5(15) . . ?
C41 O22 K4 130(2) . . ?
O22 O22 K4 77.7(6) 6 . ?
C40 O22 K4 123.2(19) . . ?
O17 O22 K4 70.6(8) . . ?
O23 C22 C23 116(3) . . ?
O23 C22 K2 52.3(10) . . ?
C23 C22 K2 84.6(13) . . ?
C22 O23 C21 114(3) . . ?
C22 O23 K2 104.7(13) . . ?
C21 O23 K2 113.2(18) . . ?
O28 C23 C22 110(2) . . ?
C24 O24 C25 105(2) . . ?
C24 O24 K2 139(2) . . ?
C25 O24 K2 109.1(14) . . ?
O24 C24 C21 89(3) . . ?
O36 C26 C25 114(2) . . ?
O36 C26 K2 54.2(10) . . ?
C25 C26 K2 80.9(12) . . ?
O24 C25 C26 117.5(17) . . ?
C15 O28 C23 107(2) . . ?
C15 O28 K2 121(2) . . ?
C23 O28 K2 116.0(17) . . ?
O35 C28 C11 92(3) 6_565 . ?
O35 C28 K3 50.4(12) 6_565 . ?
C11 C28 K3 74.6(15) . . ?
C17 O27 C16 104(2) . . ?
C17 O27 K2 108.1(13) . . ?
C16 O27 K2 111.2(19) . . ?
C58 C27 O13 67(4) . . ?
C58 C27 O14 49(3) . . ?
O13 C27 O14 71(3) . . ?
C58 C27 C48 74(4) . . ?
O13 C27 C48 40(2) . . ?
O14 C27 C48 105(3) . . ?
C58 C27 C49 58(4) . . ?
O13 C27 C49 97(3) . . ?
O14 C27 C49 26.7(19) . . ?
C48 C27 C49 128(4) . . ?
C30 O31 C55 105.8(14) . . ?
C30 O31 K5 132.5(15) . . ?
C55 O31 K5 117.0(13) . . ?
O31 C30 C36 97.0(13) . . ?
C19 O30 C18 114(3) . . ?
C19 O30 K2 105.3(14) . . ?
C18 O30 K2 115.5(19) . . ?
C31 C31 O21 93.3(18) 6 . ?
C31 C31 O21 47.9(14) 6 6 ?
O21 C31 O21 45(2) . 6 ?
C31 C31 C32 158.5(18) 6 . ?
O21 C31 C32 65.6(13) . . ?
O21 C31 C32 111(3) 6 . ?
C57 O32 C54 138.0(19) . 6_565 ?
C57 O32 K5 115.9(17) . . ?
C54 O32 K5 104.2(11) 6_565 . ?
O20 C32 O21 89.0(15) . . ?
O20 C32 C31 119(2) . . ?
O21 C32 C31 36.9(16) . . ?
O20 C32 C33 35.4(14) . . ?
O21 C32 C33 120(2) . . ?
C31 C32 C33 154(2) . . ?
C56 O33 C36 104.8(13) . . ?
C56 O33 K5 127.2(17) . . ?
C36 O33 K5 114.0(13) . . ?
O20 C33 C35 106(4) . . ?
O20 C33 O19 47(2) . . ?
C35 C33 O19 64(2) . . ?
O20 C33 C32 65.4(14) . . ?
C35 C33 C32 165(6) . . ?
O19 C33 C32 111(2) . . ?
C33 C35 O19 78(3) . . ?
C33 C35 O20 37(2) . . ?
O19 C35 O20 44.7(15) . . ?
C33 C35 C37 138(4) . . ?
O19 C35 C37 60.6(19) . . ?
O20 C35 C37 105(2) . . ?
O37 C34 C14 95.5(15) . . ?
C28 O35 C14 146(2) 6_565 . ?
C28 O35 K3 109(2) 6_565 . ?
C14 O35 K3 104.8(13) . . ?
C26 O36 C20 114(3) . . ?
C26 O36 K2 102.6(12) . . ?
C20 O36 K2 112(2) . . ?
O33 C36 C30 118.6(17) . . ?
C34 O37 C34 102(4) . 6_565 ?
C34 O37 K3 116(2) . . ?
C34 O37 K3 116(2) 6_565 . ?
O38 C37 O19 90.8(19) . . ?
O38 C37 C35 115(2) . . ?
O19 C37 C35 52.1(16) . . ?
O38 C37 C38 49.7(18) . . ?
O19 C37 C38 109(3) . . ?
C35 C37 C38 158(3) . . ?
O17 O38 C38 74(2) . . ?
O17 O38 C37 142(3) . . ?
C38 O38 C37 69.6(13) . . ?
O17 O38 C39 42.9(19) . . ?
C38 O38 C39 45(2) . . ?
C37 O38 C39 111(2) . . ?
O17 O38 K4 75.1(13) . . ?
C38 O38 K4 118(3) . . ?
C37 O38 K4 112.6(15) . . ?
C39 O38 K4 117(2) . . ?
O17 C39 C38 89(4) . . ?
O17 C39 O38 50(2) . . ?
C38 C39 O38 58(2) . . ?
O17 C39 C40 63.6(14) . . ?
C38 C39 C40 146(5) . . ?
O38 C39 C40 109(2) . . ?
C53 O39 O13 86(5) . . ?
C53 O39 C47 89(5) . . ?
O13 O39 C47 174(4) . . ?
C53 O39 C48 46(4) . . ?
O13 O39 C48 52(2) . . ?
C47 O39 C48 126(3) . . ?
C53 O39 C46 59(5) . . ?
O13 O39 C46 144(4) . . ?
C47 O39 C46 31(2) . . ?
C48 O39 C46 101(3) . . ?
C53 O39 K1 127(4) . . ?
O13 O39 K1 73.3(12) . . ?
C47 O39 K1 107(2) . . ?
C48 O39 K1 123(3) . . ?
C46 O39 K1 119(2) . . ?
O22 C40 O17 81(2) . . ?
O22 C40 C39 117(3) . . ?
O17 C40 C39 38.4(16) . . ?
O22 C40 C41 36.2(17) . . ?
O17 C40 C41 116(2) . . ?
C39 C40 C41 153(3) . . ?
O12 O40 C45 104(4) . . ?
O12 O40 C47 164(3) . . ?
C45 O40 C47 62(4) . . ?
O12 O40 C42 55(3) . 2_655 ?
C45 O40 C42 68(4) . 2_655 ?
C47 O40 C42 120(3) . 2_655 ?
O12 O40 C46 145(4) . . ?
C45 O40 C46 64(4) . . ?
C47 O40 C46 24(2) . . ?
C42 O40 C46 131(3) 2_655 . ?
O12 O40 K1 85.1(18) . . ?
C45 O40 K1 167(4) . . ?
C47 O40 K1 110(2) . . ?
C42 O40 K1 112(2) 2_655 . ?
C46 O40 K1 113.3(19) . . ?
O22 C41 O22 70(4) 6 . ?
O22 C41 C40 114(3) 6 . ?
O22 C41 C40 44.5(17) . . ?
O22 C41 C40 44.5(16) 6 6 ?
O22 C41 C40 114(3) . 6 ?
C40 C41 C40 155(3) . 6 ?
O12 C42 C43 81(4) 2_655 . ?
O12 C42 O40 35(2) 2_655 2_655 ?
C43 C42 O40 115(4) . 2_655 ?
O12 C42 C45 71(3) 2_655 2_655 ?
C43 C42 C45 144(4) . 2_655 ?
O40 C42 C45 45(2) 2_655 2_655 ?
C42 C43 C42 150(5) 2_655 . ?
C42 C43 O12 43(2) 2_655 . ?
C42 C43 O12 113(3) . . ?
C42 C43 O12 113(3) 2_655 2_655 ?
C42 C43 O12 43(2) . 2_655 ?
O12 C43 O12 96(2) . 2_655 ?
O40 C45 C47 69(4) . . ?
O40 C45 C42 67(4) . 2_655 ?
C47 C45 C42 126(4) . 2_655 ?
O40 C45 O12 32(2) . . ?
C47 C45 O12 101(4) . . ?
C42 C45 O12 46(3) 2_655 . ?
O40 C45 C46 79(4) . . ?
C47 C45 C46 28(3) . . ?
C42 C45 C46 145(4) 2_655 . ?
O12 C45 C46 105(4) . . ?
C47 C46 C53 93(7) . . ?
C47 C46 O39 60(5) . . ?
C53 C46 O39 33(2) . . ?
C47 C46 C45 52(5) . . ?
C53 C46 C45 139(5) . . ?
O39 C46 C45 107(4) . . ?
C47 C46 O40 47(5) . . ?
C53 C46 O40 105(4) . . ?
O39 C46 O40 78(2) . . ?
C45 C46 O40 37(2) . . ?
C53 C48 O13 82(5) . . ?
C53 C48 O39 36(3) . . ?
O13 C48 O39 56(3) . . ?
C53 C48 C27 139(5) . . ?
O13 C48 C27 58(3) . . ?
O39 C48 C27 107(4) . . ?
C53 C48 C58 122(5) . . ?
O13 C48 C58 55(3) . . ?
O39 C48 C58 110(3) . . ?
C27 C48 C58 38(2) . . ?
C46 C47 C45 101(7) . . ?
C46 C47 O39 89(6) . . ?
C45 C47 O39 150(4) . . ?
C46 C47 O40 109(6) . . ?
C45 C47 O40 49(3) . . ?
O39 C47 O40 102(3) . . ?
C46 C47 C53 57(6) . . ?
C45 C47 C53 150(5) . . ?
O39 C47 C53 32(2) . . ?
O40 C47 C53 115(4) . . ?
C46 C47 K1 112(6) . . ?
C45 C47 K1 97(3) . . ?
O39 C47 K1 53.0(18) . . ?
O40 C47 K1 49.5(17) . . ?
C53 C47 K1 76(2) . . ?
O14 C49 C50 127(9) . . ?
O14 C49 O15 76(5) . . ?
C50 C49 O15 72(6) . . ?
O14 C49 C58 50(5) . . ?
C50 C49 C58 170(8) . . ?
O15 C49 C58 114(5) . . ?
O14 C49 C27 59(5) . . ?
C50 C49 C27 132(7) . . ?
O15 C49 C27 135(4) . . ?
C58 C49 C27 38(3) . . ?
O14 C49 K1 30(4) . . ?
C50 C49 K1 99(6) . . ?
O15 C49 K1 51(2) . . ?
C58 C49 K1 79(3) . . ?
C27 C49 K1 84(2) . . ?
C49 C50 O15 74(6) . . ?
C49 C50 O14 25(4) . . ?
O15 C50 O14 61(3) . . ?
C49 C50 C51 121(6) . . ?
O15 C50 C51 48(2) . . ?
O14 C50 C51 108(3) . . ?
O15 C51 O15 85(3) 2_655 . ?
O15 C51 C50 57(2) 2_655 2_655 ?
O15 C51 C50 108(3) . 2_655 ?
O15 C51 C50 108(3) 2_655 . ?
O15 C51 C50 57(2) . . ?
C50 C51 C50 162(4) 2_655 . ?
O39 C53 C48 98(6) . . ?
O39 C53 C46 88(6) . . ?
C48 C53 C46 152(6) . . ?
O39 C53 O13 58(4) . . ?
C48 C53 O13 53(4) . . ?
C46 C53 O13 145(5) . . ?
O39 C53 C47 59(4) . . ?
C48 C53 C47 141(6) . . ?
C46 C53 C47 30(3) . . ?
O13 C53 C47 117(4) . . ?
O39 C53 K1 42(3) . . ?
C48 C53 K1 104(4) . . ?
C46 C53 K1 99(3) . . ?
O13 C53 K1 51.1(18) . . ?
C47 C53 K1 80(2) . . ?
C56 C54 O32 124(3) . 6_565 ?
O33 C56 C54 95.1(12) . . ?
C55 C55 O31 120.4(12) 6_565 . ?
C57 C57 O32 123.0(14) 6_565 . ?
C27 C58 O14 84(5) . . ?
C27 C58 O13 67(4) . . ?
O14 C58 O13 82(3) . . ?
C27 C58 C49 84(5) . . ?
O14 C58 C49 31(2) . . ?
O13 C58 C49 110(4) . . ?
C27 C58 C48 67(4) . . ?
O14 C58 C48 120(4) . . ?
O13 C58 C48 39(2) . . ?
C49 C58 C48 144(4) . . ?
C39 C38 O38 77(3) . . ?
C39 C38 O17 43(2) . . ?
O38 C38 O17 48.2(17) . . ?
C39 C38 C37 130(4) . . ?
O38 C38 C37 60.7(11) . . ?
O17 C38 C37 108(2) . . ?
C12 O29 C11 105.0(17) . . ?
C12 O29 K3 149(3) . . ?
C11 O29 K3 100.1(18) . . ?

_refine_diff_density_max         2.285
_refine_diff_density_min         -2.724
_refine_diff_density_rms         0.325



####################################################################### 
# 
# 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_cu_2020050201_0m
_database_code_depnum_ccdc_archive 'CCDC 2062493'
loop_
_audit_author_name
_audit_author_address
'Lin lifang'
;fujian institute of research on the structure of matter
China
;
_audit_update_record             
;
2021-04-15 deposited with the CCDC.	2021-09-23 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            'C60 H52 K4 N4 Ni6.50 O32 Sb6'
_chemical_formula_weight         2609.57

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   23.1753(12)
_cell_length_b                   14.1029(8)
_cell_length_c                   16.5545(9)
_cell_angle_alpha                90
_cell_angle_beta                 116.046(3)
_cell_angle_gamma                90
_cell_volume                     4861.2(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    230(2)
_cell_measurement_reflns_used    4842
_cell_measurement_theta_min      6.17
_cell_measurement_theta_max      61.94

_exptl_crystal_description       sheet
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_F_000             2520
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    16.432
_shelx_estimated_absorpt_T_min   0.192
_shelx_estimated_absorpt_T_max   0.494
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2728
_exptl_absorpt_correction_T_max  0.7522
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      230(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\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            12934
_diffrn_reflns_av_unetI/netI     0.0651
_diffrn_reflns_av_R_equivalents  0.0574
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         5.590
_diffrn_reflns_theta_max         62.340
_diffrn_reflns_theta_full        62.340
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             3985
_reflns_number_gt                3091
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_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)+(0.1426P)²+16.2358P] 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         3985
_refine_ls_number_parameters     362
_refine_ls_number_restraints     285
_refine_ls_R_factor_all          0.0889
_refine_ls_R_factor_gt           0.0755
_refine_ls_wR_factor_ref         0.2380
_refine_ls_wR_factor_gt          0.2217
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.070
_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
Sb1 Sb 0.42011(7) 0.62903(12) 0.88812(10) 0.0777(5) Uani 0.5 1 d . . P . .
O1 O 0.5243(10) 0.8696(13) 1.0322(16) 0.139(7) Uani 0.5 1 d . U P . .
N1 N 0.262(2) 0.500000 0.4391(18) 0.31(2) Uani 1 2 d DS TU P . .
K1 K 0.68276(16) 0.500000 0.8514(3) 0.0998(10) Uani 1 2 d S TU P . .
C1 C 0.4721(11) 0.7885(12) 0.9596(16) 0.105(6) Uani 0.5 1 d D U P . .
Ni1 Ni 0.46963(17) 0.6646(3) 0.9556(3) 0.0904(9) Uani 0.5 1 d D . P . .
O2 O 0.2496(5) 0.500000 0.8795(15) 0.161(7) Uani 1 2 d DS TU P . .
N2 N 0.198(2) 0.595(2) 0.293(2) 0.29(3) Uani 0.5 1 d D U P . .
Ni2 Ni 0.38367(14) 0.5336(2) 0.9278(2) 0.0868(10) Uani 0.5 1 d D . P . .
K2 K 0.1281(3) 0.500000 0.4261(3) 0.174(3) Uani 1 2 d DS T P . .
C2 C 0.3053(7) 0.500000 0.9006(16) 0.140(7) Uani 1 2 d DS TU P . .
Sb2 Sb 0.55820(4) 0.60181(5) 0.92117(5) 0.0943(4) Uani 1 1 d . . . . .
O3 O 0.4173(7) 0.500000 0.6479(7) 0.129(4) Uani 1 2 d DS TU P . .
Ni3 Ni 0.45081(15) 0.5316(2) 0.8364(2) 0.0841(10) Uani 0.5 1 d D . P . .
C3 C 0.4282(9) 0.500000 0.7236(8) 0.124(6) Uani 1 2 d DS TU P . .
C6 C 0.8177(9) 0.6721(17) 0.9468(15) 0.211(9) Uani 1 1 d D U . . .
H6A H 0.833181 0.729990 0.982659 0.253 Uiso 1 1 calc R U . . .
H6B H 0.835083 0.669944 0.902546 0.253 Uiso 1 1 calc R U . . .
O6 O 0.7506(7) 0.6717(8) 0.9033(9) 0.162(4) Uani 1 1 d D U . . .
O5 O 0.8191(8) 0.500000 0.9531(13) 0.175(7) Uani 1 2 d DS TU P . .
C5 C 0.8397(10) 0.5831(15) 1.0089(15) 0.213(10) Uani 1 1 d D U . . .
H5A H 0.886526 0.583017 1.043360 0.256 Uiso 1 1 calc R U . . .
H5B H 0.820600 0.583878 1.051262 0.256 Uiso 1 1 calc R U . . .
C24 C 0.115(2) 0.249(4) 0.410(4) 0.157(11) Uiso 0.5 1 d . U P . .
O4 O 0.3549(7) 0.6788(13) 0.7937(10) 0.110(5) Uani 0.5 1 d D U P . .
Ni4 Ni 0.500000 0.500000 1.000000 0.108(2) Uani 0.5 4 d S T P . .
C4 C 0.3957(6) 0.6284(11) 0.8526(9) 0.056(5) Uani 0.5 1 d D U P . .
C8 C 0.6611(11) 0.7483(13) 0.7963(15) 0.193(8) Uani 1 1 d D U . . .
H8A H 0.641890 0.744682 0.838512 0.232 Uiso 1 1 calc R U . . .
H8B H 0.645210 0.806147 0.760511 0.232 Uiso 1 1 calc R U . . .
C10 C 0.5567(10) 0.5818(15) 0.6266(12) 0.197(8) Uani 1 1 d D U . . .
H10A H 0.510065 0.579331 0.590143 0.237 Uiso 1 1 calc R U . . .
H10B H 0.577154 0.585199 0.585952 0.237 Uiso 1 1 calc R U . . .
O10 O 0.2120(12) 0.544(2) 0.6070(12) 0.192(13) Uani 0.5 1 d D U P . .
O11 O 0.1945(19) 0.357(3) 0.553(3) 0.227(13) Uani 0.5 1 d D U P . .
C11 C 0.247(3) 0.378(8) 0.623(7) 0.230(17) Uani 0.5 1 d . U P . .
C13 C 0.2845(17) 0.500000 0.369(3) 0.289(18) Uani 1 2 d DS TU P . .
H13A H 0.309660 0.443226 0.372011 0.347 Uiso 0.5 1 calc R U P . .
H13B H 0.309660 0.556774 0.372012 0.347 Uiso 0.5 1 calc R U P . .
C12 C 0.440(2) 0.809(4) 0.718(3) 0.147(10) Uiso 0.5 1 d . U P . .
O13 O 0.4415(14) 0.844(2) 0.679(2) 0.156(8) Uani 0.5 1 d . U P . .
C15 C 0.439(3) 0.872(4) 0.773(3) 0.187(13) Uani 0.5 1 d . U P . .
O15 O 0.4210(15) 0.819(2) 0.624(2) 0.158(8) Uiso 0.5 1 d . U P . .
C16 C 0.196(3) 0.292(5) 0.586(5) 0.211(13) Uani 0.5 1 d . U P . .
C18 C 0.222(3) 0.367(8) 0.627(6) 0.217(18) Uani 0.5 1 d . U P . .
C17 C 0.4052(19) 0.760(3) 0.662(3) 0.148(10) Uiso 0.5 1 d . U P . .
C19 C 0.124(3) 0.250(4) 0.461(4) 0.167(11) Uani 0.5 1 d . U P . .
C20 C 0.259(2) 0.500000 0.643(3) 0.248(16) Uani 1 2 d S TU P . .
C21 C 0.163(3) 0.263(4) 0.527(5) 0.198(12) Uani 0.5 1 d . U P . .
C23 C 0.503(2) 1.050(3) 0.793(3) 0.199(16) Uani 0.5 1 d . U P . .
C22 C 0.485(2) 1.132(4) 0.768(3) 0.158(11) Uiso 0.5 1 d . U P . .
C14 C 0.219(2) 0.500000 0.2854(19) 0.272(19) Uani 1 2 d DS TU P . .
O14 O 0.4612(10) 1.0314(16) 0.7474(15) 0.145(7) Uiso 0.5 1 d . U P . .
C9 C 0.5744(9) 0.6688(15) 0.6870(13) 0.189(8) Uani 1 1 d D U . . .
H9A H 0.560819 0.726538 0.650431 0.227 Uiso 1 1 calc R U . . .
H9B H 0.552852 0.666729 0.726338 0.227 Uiso 1 1 calc R U . . .
O9 O 0.1676(17) 0.3135(19) 0.492(2) 0.172(8) Uani 0.5 1 d D U P . .
O8 O 0.5776(7) 0.500000 0.6806(9) 0.154(6) Uani 1 2 d DS TU P . .
O7 O 0.6417(7) 0.6689(10) 0.7389(9) 0.168(5) Uani 1 1 d D U . . .
C7 C 0.7344(11) 0.7540(12) 0.8494(16) 0.194(8) Uani 1 1 d D U . . .
H7A H 0.755029 0.753942 0.808852 0.233 Uiso 1 1 calc R U . . .
H7B H 0.747309 0.811339 0.886593 0.233 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
Sb1 C4 0.611(12) . ?
Sb1 Ni1 1.300(4) . ?
Sb1 O4 1.774(14) . ?
Sb1 Ni2 1.855(4) . ?
Sb1 Ni3 1.914(4) . ?
Sb1 C1 2.580(19) . ?
Sb1 Ni2 2.625(3) 6_565 ?
Sb1 Ni3 2.628(3) 6_565 ?
Sb1 Ni4 2.6755(15) . ?
Sb1 Ni1 2.769(4) 2_657 ?
Sb1 Sb2 2.9957(17) 2_657 ?
Sb1 Sb2 3.0250(17) . ?
O1 C1 1.15(2) 2_657 ?
O1 O1 1.16(4) 2_657 ?
O1 C1 1.72(3) . ?
N1 C13 1.45(2) . ?
N1 K2 3.02(5) . ?
K1 O8 2.807(14) . ?
K1 O6 2.809(11) . ?
K1 O6 2.809(11) 6_565 ?
K1 O5 2.855(16) . ?
K1 O7 2.914(12) 6_565 ?
K1 O7 2.914(12) . ?
K1 Sb2 3.829(4) 6_565 ?
K1 Sb2 3.829(4) . ?
C1 C1 1.39(5) 2_657 ?
C1 Ni1 1.748(17) . ?
C1 Ni1 2.28(2) 2_657 ?
Ni1 Ni1 1.525(8) 2_657 ?
Ni1 C4 1.881(13) . ?
Ni1 Ni4 2.443(4) . ?
Ni1 Sb2 2.520(3) . ?
Ni1 Sb2 2.553(4) 2_657 ?
Ni1 Ni2 2.605(5) . ?
Ni1 Ni3 2.616(5) . ?
O2 C2 1.180(14) . ?
N2 C14 1.450(19) . ?
Ni2 Ni2 0.947(6) 6_565 ?
Ni2 C2 1.735(13) . ?
Ni2 C4 1.928(15) . ?
Ni2 Sb2 2.457(3) 2_657 ?
Ni2 Ni4 2.468(3) . ?
Ni2 Ni3 2.603(5) . ?
Ni2 Ni3 2.760(4) 6_565 ?
Ni2 Sb2 2.959(3) 5_667 ?
K2 O14 2.74(2) 7_566 ?
K2 O14 2.74(2) 4_546 ?
K2 O15 2.76(3) 4_546 ?
K2 O15 2.76(3) 7_566 ?
K2 O13 2.82(2) 4_546 ?
K2 O13 2.82(2) 7_566 ?
K2 O11 2.830(18) 6_565 ?
K2 O11 2.830(18) . ?
K2 O10 2.831(16) 6_565 ?
K2 O10 2.831(16) . ?
K2 O9 2.842(17) 6_565 ?
K2 O9 2.842(17) . ?
Sb2 Ni3 2.465(3) . ?
Sb2 Ni4 2.6701(6) . ?
Sb2 Sb2 2.8716(14) 6_565 ?
Sb2 Ni3 2.939(3) 6_565 ?
O3 C3 1.166(13) . ?
Ni3 Ni3 0.891(6) 6_565 ?
Ni3 C3 1.760(12) . ?
Ni3 C4 1.966(14) . ?
Ni3 Ni4 2.474(3) . ?
C6 O6 1.396(15) . ?
C6 C5 1.559(17) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
O6 C7 1.411(16) . ?
O5 C5 1.438(16) . ?
O5 C5 1.438(16) 6_565 ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C24 C19 0.78(6) . ?
C24 C17 1.08(5) 4_546 ?
C24 O15 1.26(5) 4_546 ?
C24 O9 1.65(6) . ?
C24 C21 1.77(8) . ?
O4 C4 1.241(15) . ?
C8 O7 1.409(16) . ?
C8 C7 1.535(17) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C10 O8 1.409(15) . ?
C10 C9 1.520(17) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
O10 C20 1.16(4) . ?
O10 O10 1.23(6) 6_565 ?
O10 C18 1.30(10) 6_565 ?
O10 C11 1.33(11) 6_565 ?
O10 O11 1.62(6) 6_565 ?
O11 C16 1.07(6) . ?
O11 O9 1.10(5) . ?
O11 C18 1.11(11) . ?
O11 C11 1.29(9) . ?
O11 C21 1.48(8) . ?
C11 C18 0.63(14) . ?
C11 C16 1.61(13) . ?
C11 C20 1.75(12) . ?
C13 C14 1.542(10) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C12 O13 0.82(4) . ?
C12 C17 1.16(5) . ?
C12 C15 1.28(6) . ?
C12 C22 1.29(6) 6_575 ?
C12 O15 1.42(6) . ?
O13 O15 0.89(3) . ?
O13 C17 1.41(5) . ?
O13 C22 1.41(5) 6_575 ?
O13 C15 1.63(7) . ?
C15 C22 1.11(6) 6_575 ?
C15 O14 1.58(5) 6_575 ?
C15 C23 1.77(7) 6_575 ?
O15 C17 1.20(5) . ?
O15 C19 1.66(5) 4_556 ?
C16 C21 1.03(8) . ?
C16 C18 1.26(12) . ?
C16 O9 1.43(7) . ?
C18 C20 2.03(11) . ?
C17 C19 1.85(7) 4_556 ?
C19 C21 1.08(8) . ?
C19 O9 1.28(7) . ?
C21 O9 0.94(5) . ?
C23 O14 0.97(3) . ?
C23 C22 1.25(6) . ?
C23 C23 1.40(9) 6_575 ?
C23 O14 1.47(4) 6_575 ?
C22 O14 1.51(5) . ?
O14 O14 0.89(4) 6_575 ?
C9 O7 1.413(15) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?

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
C4 Sb1 Ni1 158.0(15) . . ?
C4 Sb1 O4 24.2(15) . . ?
Ni1 Sb1 O4 133.9(6) . . ?
C4 Sb1 Ni2 87.5(15) . . ?
Ni1 Sb1 Ni2 110.1(2) . . ?
O4 Sb1 Ni2 104.7(6) . . ?
C4 Sb1 Ni3 85.9(15) . . ?
Ni1 Sb1 Ni3 107.4(2) . . ?
O4 Sb1 Ni3 103.3(6) . . ?
Ni2 Sb1 Ni3 87.34(15) . . ?
C4 Sb1 C1 120.2(16) . . ?
Ni1 Sb1 C1 38.0(5) . . ?
O4 Sb1 C1 96.0(8) . . ?
Ni2 Sb1 C1 131.6(6) . . ?
Ni3 Sb1 C1 129.8(6) . . ?
C4 Sb1 Ni2 87.9(15) . 6_565 ?
Ni1 Sb1 Ni2 112.4(2) . 6_565 ?
O4 Sb1 Ni2 108.8(6) . 6_565 ?
Ni2 Sb1 Ni2 14.38(10) . 6_565 ?
Ni3 Sb1 Ni2 73.03(13) . 6_565 ?
C1 Sb1 Ni2 141.6(6) . 6_565 ?
C4 Sb1 Ni3 86.7(15) . 6_565 ?
Ni1 Sb1 Ni3 110.44(19) . 6_565 ?
O4 Sb1 Ni3 107.6(6) . 6_565 ?
Ni2 Sb1 Ni3 73.75(13) . 6_565 ?
Ni3 Sb1 Ni3 13.66(10) . 6_565 ?
C1 Sb1 Ni3 139.6(5) . 6_565 ?
Ni2 Sb1 Ni3 59.41(11) 6_565 6_565 ?
C4 Sb1 Ni4 136.3(15) . . ?
Ni1 Sb1 Ni4 65.55(17) . . ?
O4 Sb1 Ni4 160.4(6) . . ?
Ni2 Sb1 Ni4 62.98(10) . . ?
Ni3 Sb1 Ni4 62.68(10) . . ?
C1 Sb1 Ni4 103.5(5) . . ?
Ni2 Sb1 Ni4 55.49(7) 6_565 . ?
Ni3 Sb1 Ni4 55.60(7) 6_565 . ?
C4 Sb1 Ni1 170.3(15) . 2_657 ?
Ni1 Sb1 Ni1 12.38(12) . 2_657 ?
O4 Sb1 Ni1 146.2(6) . 2_657 ?
Ni2 Sb1 Ni1 100.22(14) . 2_657 ?
Ni3 Sb1 Ni1 100.14(14) . 2_657 ?
C1 Sb1 Ni1 50.2(5) . 2_657 ?
Ni2 Sb1 Ni1 101.00(11) 6_565 2_657 ?
Ni3 Sb1 Ni1 100.93(12) 6_565 2_657 ?
Ni4 Sb1 Ni1 53.29(8) . 2_657 ?
C4 Sb1 Sb2 131.9(15) . 2_657 ?
Ni1 Sb1 Sb2 57.84(17) . 2_657 ?
O4 Sb1 Sb2 131.5(5) . 2_657 ?
Ni2 Sb1 Sb2 54.98(11) . 2_657 ?
Ni3 Sb1 Sb2 117.13(12) . 2_657 ?
C1 Sb1 Sb2 78.5(6) . 2_657 ?
Ni2 Sb1 Sb2 63.13(8) 6_565 2_657 ?
Ni3 Sb1 Sb2 106.78(9) 6_565 2_657 ?
Ni4 Sb1 Sb2 55.83(3) . 2_657 ?
Ni1 Sb1 Sb2 51.65(8) 2_657 2_657 ?
C4 Sb1 Sb2 129.1(15) . . ?
Ni1 Sb1 Sb2 55.17(16) . . ?
O4 Sb1 Sb2 129.4(5) . . ?
Ni2 Sb1 Sb2 116.97(12) . . ?
Ni3 Sb1 Sb2 54.42(10) . . ?
C1 Sb1 Sb2 77.5(5) . . ?
Ni2 Sb1 Sb2 105.95(9) 6_565 . ?
Ni3 Sb1 Sb2 62.18(8) 6_565 . ?
Ni4 Sb1 Sb2 55.45(3) . . ?
Ni1 Sb1 Sb2 52.06(8) 2_657 . ?
Sb2 Sb1 Sb2 96.80(5) 2_657 . ?
C1 O1 O1 95.6(16) 2_657 2_657 ?
C1 O1 C1 53.9(19) 2_657 . ?
O1 O1 C1 41.9(9) 2_657 . ?
C13 N1 K2 130.7(19) . . ?
O8 K1 O6 115.5(3) . . ?
O8 K1 O6 115.5(3) . 6_565 ?
O6 K1 O6 119.1(6) . 6_565 ?
O8 K1 O5 147.2(5) . . ?
O6 K1 O5 59.6(3) . . ?
O6 K1 O5 59.6(3) 6_565 . ?
O8 K1 O7 57.4(3) . 6_565 ?
O6 K1 O7 151.9(4) . 6_565 ?
O6 K1 O7 58.2(4) 6_565 6_565 ?
O5 K1 O7 110.1(4) . 6_565 ?
O8 K1 O7 57.4(3) . . ?
O6 K1 O7 58.2(4) . . ?
O6 K1 O7 151.9(4) 6_565 . ?
O5 K1 O7 110.1(4) . . ?
O7 K1 O7 109.7(7) 6_565 . ?
O8 K1 Sb2 82.4(3) . 6_565 ?
O6 K1 Sb2 128.8(3) . 6_565 ?
O6 K1 Sb2 88.8(3) 6_565 6_565 ?
O5 K1 Sb2 127.5(4) . 6_565 ?
O7 K1 Sb2 79.0(2) 6_565 6_565 ?
O7 K1 Sb2 114.9(3) . 6_565 ?
O8 K1 Sb2 82.4(3) . . ?
O6 K1 Sb2 88.8(3) . . ?
O6 K1 Sb2 128.8(3) 6_565 . ?
O5 K1 Sb2 127.5(4) . . ?
O7 K1 Sb2 114.9(3) 6_565 . ?
O7 K1 Sb2 79.0(2) . . ?
Sb2 K1 Sb2 44.05(5) 6_565 . ?
O1 C1 C1 84.2(16) 2_657 2_657 ?
O1 C1 O1 42.4(16) 2_657 . ?
C1 C1 O1 41.9(9) 2_657 . ?
O1 C1 Ni1 176(2) 2_657 . ?
C1 C1 Ni1 92.2(8) 2_657 . ?
O1 C1 Ni1 134.0(14) . . ?
O1 C1 Ni1 134.3(19) 2_657 2_657 ?
C1 C1 Ni1 50.1(5) 2_657 2_657 ?
O1 C1 Ni1 92.0(11) . 2_657 ?
Ni1 C1 Ni1 42.0(5) . 2_657 ?
O1 C1 Sb1 156.2(19) 2_657 . ?
C1 C1 Sb1 119.3(5) 2_657 . ?
O1 C1 Sb1 161.2(12) . . ?
Ni1 C1 Sb1 27.2(4) . . ?
Ni1 C1 Sb1 69.2(5) 2_657 . ?
Sb1 Ni1 Ni1 157.10(19) . 2_657 ?
Sb1 Ni1 C1 114.8(8) . . ?
Ni1 Ni1 C1 87.8(8) 2_657 . ?
Sb1 Ni1 C4 7.0(5) . . ?
Ni1 Ni1 C4 164.1(5) 2_657 . ?
C1 Ni1 C4 107.9(9) . . ?
Sb1 Ni1 C1 152.5(5) . 2_657 ?
Ni1 Ni1 C1 50.1(5) 2_657 2_657 ?
C1 Ni1 C1 37.7(12) . 2_657 ?
C4 Ni1 C1 145.6(7) . 2_657 ?
Sb1 Ni1 Ni4 85.48(19) . . ?
Ni1 Ni1 Ni4 71.81(9) 2_657 . ?
C1 Ni1 Ni4 159.7(8) . . ?
C4 Ni1 Ni4 92.4(5) . . ?
C1 Ni1 Ni4 121.9(5) 2_657 . ?
Sb1 Ni1 Sb2 99.8(2) . . ?
Ni1 Ni1 Sb2 73.7(2) 2_657 . ?
C1 Ni1 Sb2 110.0(9) . . ?
C4 Ni1 Sb2 102.0(5) . . ?
C1 Ni1 Sb2 95.1(6) 2_657 . ?
Ni4 Ni1 Sb2 65.08(9) . . ?
Sb1 Ni1 Sb2 96.6(2) . 2_657 ?
Ni1 Ni1 Sb2 71.3(2) 2_657 2_657 ?
C1 Ni1 Sb2 109.4(9) . 2_657 ?
C4 Ni1 Sb2 100.4(5) . 2_657 ?
C1 Ni1 Sb2 93.6(7) 2_657 2_657 ?
Ni4 Ni1 Sb2 64.57(9) . 2_657 ?
Sb2 Ni1 Sb2 125.14(15) . 2_657 ?
Sb1 Ni1 Ni2 41.98(16) . . ?
Ni1 Ni1 Ni2 118.7(2) 2_657 . ?
C1 Ni1 Ni2 136.5(8) . . ?
C4 Ni1 Ni2 47.6(5) . . ?
C1 Ni1 Ni2 148.6(7) 2_657 . ?
Ni4 Ni1 Ni2 58.43(11) . . ?
Sb2 Ni1 Ni2 110.26(15) . . ?
Sb2 Ni1 Ni2 56.88(11) 2_657 . ?
Sb1 Ni1 Ni3 44.25(15) . . ?
Ni1 Ni1 Ni3 120.31(19) 2_657 . ?
C1 Ni1 Ni3 137.4(9) . . ?
C4 Ni1 Ni3 48.5(4) . . ?
C1 Ni1 Ni3 150.8(7) 2_657 . ?
Ni4 Ni1 Ni3 58.43(11) . . ?
Sb2 Ni1 Ni3 57.33(10) . . ?
Sb2 Ni1 Ni3 109.70(15) 2_657 . ?
Ni2 Ni1 Ni3 59.80(13) . . ?
Sb1 Ni1 Sb1 146.8(3) . 2_657 ?
Ni1 Ni1 Sb1 10.53(9) 2_657 2_657 ?
C1 Ni1 Sb1 98.3(8) . 2_657 ?
C4 Ni1 Sb1 153.8(5) . 2_657 ?
C1 Ni1 Sb1 60.6(5) 2_657 2_657 ?
Ni4 Ni1 Sb1 61.39(9) . 2_657 ?
Sb2 Ni1 Sb1 68.81(10) . 2_657 ?
Sb2 Ni1 Sb1 69.13(10) 2_657 2_657 ?
Ni2 Ni1 Sb1 110.92(16) . 2_657 ?
Ni3 Ni1 Sb1 110.77(15) . 2_657 ?
Ni2 Ni2 C2 74.16(16) 6_565 . ?
Ni2 Ni2 Sb1 136.51(11) 6_565 . ?
C2 Ni2 Sb1 133.9(6) . . ?
Ni2 Ni2 C4 133.9(5) 6_565 . ?
C2 Ni2 C4 117.0(7) . . ?
Sb1 Ni2 C4 18.5(4) . . ?
Ni2 Ni2 Sb2 113.05(8) 6_565 2_657 ?
C2 Ni2 Sb2 114.5(8) . 2_657 ?
Sb1 Ni2 Sb2 86.83(13) . 2_657 ?
C4 Ni2 Sb2 102.4(5) . 2_657 ?
Ni2 Ni2 Ni4 78.93(7) 6_565 . ?
C2 Ni2 Ni4 150.4(4) . . ?
Sb1 Ni2 Ni4 74.97(11) . . ?
C4 Ni2 Ni4 90.5(4) . . ?
Sb2 Ni2 Ni4 65.66(8) 2_657 . ?
Ni2 Ni2 Ni3 89.38(9) 6_565 . ?
C2 Ni2 Ni3 132.2(8) . . ?
Sb1 Ni2 Ni3 47.26(11) . . ?
C4 Ni2 Ni3 48.7(4) . . ?
Sb2 Ni2 Ni3 113.27(13) 2_657 . ?
Ni4 Ni2 Ni3 58.33(10) . . ?
Ni2 Ni2 Ni1 135.16(10) 6_565 . ?
C2 Ni2 Ni1 150.7(2) . . ?
Sb1 Ni2 Ni1 27.95(11) . . ?
C4 Ni2 Ni1 46.1(4) . . ?
Sb2 Ni2 Ni1 60.49(11) 2_657 . ?
Ni4 Ni2 Ni1 57.50(10) . . ?
Ni3 Ni2 Ni1 60.31(12) . . ?
Ni2 Ni2 Sb1 29.11(8) 6_565 6_565 ?
C2 Ni2 Sb1 96.4(3) . 6_565 ?
Sb1 Ni2 Sb1 107.41(16) . 6_565 ?
C4 Ni2 Sb1 106.9(5) . 6_565 ?
Sb2 Ni2 Sb1 120.25(13) 2_657 6_565 ?
Ni4 Ni2 Sb1 63.29(8) . 6_565 ?
Ni3 Ni2 Sb1 60.36(10) . 6_565 ?
Ni1 Ni2 Sb1 111.03(14) . 6_565 ?
Ni2 Ni2 Ni3 70.55(9) 6_565 6_565 ?
C2 Ni2 Ni3 123.0(7) . 6_565 ?
Sb1 Ni2 Ni3 66.07(12) . 6_565 ?
C4 Ni2 Ni3 66.5(5) . 6_565 ?
Sb2 Ni2 Ni3 119.94(13) 2_657 6_565 ?
Ni4 Ni2 Ni3 56.15(9) . 6_565 ?
Ni3 Ni2 Ni3 18.84(13) . 6_565 ?
Ni1 Ni2 Ni3 76.23(13) . 6_565 ?
Sb1 Ni2 Ni3 41.54(9) 6_565 6_565 ?
Ni2 Ni2 Sb2 49.81(6) 6_565 5_667 ?
C2 Ni2 Sb2 94.5(6) . 5_667 ?
Sb1 Ni2 Sb2 131.15(15) . 5_667 ?
C4 Ni2 Sb2 148.4(4) . 5_667 ?
Sb2 Ni2 Sb2 63.24(8) 2_657 5_667 ?
Ni4 Ni2 Sb2 58.10(7) . 5_667 ?
Ni3 Ni2 Sb2 108.52(12) . 5_667 ?
Ni1 Ni2 Sb2 106.21(13) . 5_667 ?
Sb1 Ni2 Sb2 64.56(8) 6_565 5_667 ?
Ni3 Ni2 Sb2 95.23(11) 6_565 5_667 ?
O14 K2 O14 18.6(9) 7_566 4_546 ?
O14 K2 O15 61.0(8) 7_566 4_546 ?
O14 K2 O15 79.2(9) 4_546 4_546 ?
O14 K2 O15 79.2(9) 7_566 7_566 ?
O14 K2 O15 61.0(8) 4_546 7_566 ?
O15 K2 O15 134.3(14) 4_546 7_566 ?
O14 K2 O13 42.7(8) 7_566 4_546 ?
O14 K2 O13 61.1(8) 4_546 4_546 ?
O15 K2 O13 18.3(7) 4_546 4_546 ?
O15 K2 O13 118.9(11) 7_566 4_546 ?
O14 K2 O13 61.1(8) 7_566 7_566 ?
O14 K2 O13 42.7(8) 4_546 7_566 ?
O15 K2 O13 118.9(11) 4_546 7_566 ?
O15 K2 O13 18.3(7) 7_566 7_566 ?
O13 K2 O13 102.1(13) 4_546 7_566 ?
O14 K2 O11 143.8(12) 7_566 6_565 ?
O14 K2 O11 125.2(13) 4_546 6_565 ?
O15 K2 O11 153.8(14) 4_546 6_565 ?
O15 K2 O11 65.3(13) 7_566 6_565 ?
O13 K2 O11 171.1(14) 4_546 6_565 ?
O13 K2 O11 83.0(13) 7_566 6_565 ?
O14 K2 O11 125.2(13) 7_566 . ?
O14 K2 O11 143.8(12) 4_546 . ?
O15 K2 O11 65.3(13) 4_546 . ?
O15 K2 O11 153.8(14) 7_566 . ?
O13 K2 O11 83.0(13) 4_546 . ?
O13 K2 O11 171.1(14) 7_566 . ?
O11 K2 O11 91(2) 6_565 . ?
O14 K2 O10 157.7(8) 7_566 6_565 ?
O14 K2 O10 174.7(8) 4_546 6_565 ?
O15 K2 O10 96.8(10) 4_546 6_565 ?
O15 K2 O10 121.2(10) 7_566 6_565 ?
O13 K2 O10 115.0(9) 4_546 6_565 ?
O13 K2 O10 139.5(10) 7_566 6_565 ?
O11 K2 O10 58.2(14) 6_565 6_565 ?
O11 K2 O10 33.2(13) . 6_565 ?
O14 K2 O10 174.7(8) 7_566 . ?
O14 K2 O10 157.7(8) 4_546 . ?
O15 K2 O10 121.2(10) 4_546 . ?
O15 K2 O10 96.8(10) 7_566 . ?
O13 K2 O10 139.5(10) 4_546 . ?
O13 K2 O10 115.0(9) 7_566 . ?
O11 K2 O10 33.2(13) 6_565 . ?
O11 K2 O10 58.2(14) . . ?
O10 K2 O10 25.1(13) 6_565 . ?
O14 K2 O9 121.4(10) 7_566 6_565 ?
O14 K2 O9 102.8(10) 4_546 6_565 ?
O15 K2 O9 171.4(9) 4_546 6_565 ?
O15 K2 O9 44.2(11) 7_566 6_565 ?
O13 K2 O9 163.1(11) 4_546 6_565 ?
O13 K2 O9 61.2(11) 7_566 6_565 ?
O11 K2 O9 22.5(10) 6_565 6_565 ?
O11 K2 O9 113.3(18) . 6_565 ?
O10 K2 O9 80.7(11) 6_565 6_565 ?
O10 K2 O9 55.7(10) . 6_565 ?
O14 K2 O9 102.8(10) 7_566 . ?
O14 K2 O9 121.4(10) 4_546 . ?
O15 K2 O9 44.2(11) 4_546 . ?
O15 K2 O9 171.4(9) 7_566 . ?
O13 K2 O9 61.2(11) 4_546 . ?
O13 K2 O9 163.1(11) 7_566 . ?
O11 K2 O9 113.3(18) 6_565 . ?
O11 K2 O9 22.5(10) . . ?
O10 K2 O9 55.7(10) 6_565 . ?
O10 K2 O9 80.7(11) . . ?
O9 K2 O9 135.5(18) 6_565 . ?
O2 C2 Ni2 164.1(3) . . ?
O2 C2 Ni2 164.1(3) . 6_565 ?
Ni2 C2 Ni2 31.7(3) . 6_565 ?
Ni2 Sb2 Ni3 112.79(11) 2_657 . ?
Ni2 Sb2 Ni1 92.55(12) 2_657 . ?
Ni3 Sb2 Ni1 63.30(11) . . ?
Ni2 Sb2 Ni1 62.63(11) 2_657 2_657 ?
Ni3 Sb2 Ni1 92.75(11) . 2_657 ?
Ni1 Sb2 Ni1 34.99(16) . 2_657 ?
Ni2 Sb2 Ni4 57.37(7) 2_657 . ?
Ni3 Sb2 Ni4 57.44(8) . . ?
Ni1 Sb2 Ni4 56.08(9) . . ?
Ni1 Sb2 Ni4 55.73(8) 2_657 . ?
Ni2 Sb2 Sb2 66.95(8) 2_657 6_565 ?
Ni3 Sb2 Sb2 66.32(7) . 6_565 ?
Ni1 Sb2 Sb2 110.57(9) . 6_565 ?
Ni1 Sb2 Sb2 110.29(8) 2_657 6_565 ?
Ni4 Sb2 Sb2 57.471(16) . 6_565 ?
Ni2 Sb2 Ni3 101.90(9) 2_657 6_565 ?
Ni3 Sb2 Ni3 16.13(11) . 6_565 ?
Ni1 Sb2 Ni3 74.32(11) . 6_565 ?
Ni1 Sb2 Ni3 98.36(11) 2_657 6_565 ?
Ni4 Sb2 Ni3 52.08(6) . 6_565 ?
Sb2 Sb2 Ni3 50.19(6) 6_565 6_565 ?
Ni2 Sb2 Ni2 17.13(12) 2_657 5_667 ?
Ni3 Sb2 Ni2 101.13(10) . 5_667 ?
Ni1 Sb2 Ni2 98.59(11) . 5_667 ?
Ni1 Sb2 Ni2 74.30(10) 2_657 5_667 ?
Ni4 Sb2 Ni2 51.70(6) . 5_667 ?
Sb2 Sb2 Ni2 49.82(6) 6_565 5_667 ?
Ni3 Sb2 Ni2 88.06(9) 6_565 5_667 ?
Ni2 Sb2 Sb1 38.20(9) 2_657 2_657 ?
Ni3 Sb2 Sb1 108.16(8) . 2_657 ?
Ni1 Sb2 Sb1 59.54(10) . 2_657 ?
Ni1 Sb2 Sb1 25.54(9) 2_657 2_657 ?
Ni4 Sb2 Sb1 56.00(3) . 2_657 ?
Sb2 Sb2 Sb1 97.37(4) 6_565 2_657 ?
Ni3 Sb2 Sb1 107.47(7) 6_565 2_657 ?
Ni2 Sb2 Sb1 52.31(7) 5_667 2_657 ?
Ni2 Sb2 Sb1 107.31(8) 2_657 . ?
Ni3 Sb2 Sb1 39.15(8) . . ?
Ni1 Sb2 Sb1 25.06(9) . . ?
Ni1 Sb2 Sb1 58.81(9) 2_657 . ?
Ni4 Sb2 Sb1 55.62(3) . . ?
Sb2 Sb2 Sb1 97.29(4) 6_565 . ?
Ni3 Sb2 Sb1 52.27(7) 6_565 . ?
Ni2 Sb2 Sb1 106.72(7) 5_667 . ?
Sb1 Sb2 Sb1 81.31(5) 2_657 . ?
Ni2 Sb2 K1 90.64(9) 2_657 . ?
Ni3 Sb2 K1 112.59(9) . . ?
Ni1 Sb2 K1 175.59(10) . . ?
Ni1 Sb2 K1 149.28(10) 2_657 . ?
Ni4 Sb2 K1 123.74(4) . . ?
Sb2 Sb2 K1 67.97(2) 6_565 . ?
Ni3 Sb2 K1 102.03(7) 6_565 . ?
Ni2 Sb2 K1 83.64(8) 5_667 . ?
Sb1 Sb2 K1 124.49(7) 2_657 . ?
Sb1 Sb2 K1 150.57(6) . . ?
Ni3 Ni3 C3 75.34(14) 6_565 . ?
Ni3 Ni3 Sb1 135.89(11) 6_565 . ?
C3 Ni3 Sb1 131.3(5) . . ?
Ni3 Ni3 C4 134.0(5) 6_565 . ?
C3 Ni3 C4 114.3(6) . . ?
Sb1 Ni3 C4 18.1(4) . . ?
Ni3 Ni3 Sb2 113.68(7) 6_565 . ?
C3 Ni3 Sb2 117.5(6) . . ?
Sb1 Ni3 Sb2 86.43(12) . . ?
C4 Ni3 Sb2 101.4(4) . . ?
Ni3 Ni3 Ni4 79.62(7) 6_565 . ?
C3 Ni3 Ni4 153.5(3) . . ?
Sb1 Ni3 Ni4 73.91(11) . . ?
C4 Ni3 Ni4 89.5(4) . . ?
Sb2 Ni3 Ni4 65.45(8) . . ?
Ni3 Ni3 Ni2 90.61(10) 6_565 . ?
C3 Ni3 Ni2 130.0(7) . . ?
Sb1 Ni3 Ni2 45.40(11) . . ?
C4 Ni3 Ni2 47.4(4) . . ?
Sb2 Ni3 Ni2 112.13(13) . . ?
Ni4 Ni3 Ni2 58.11(10) . . ?
Ni3 Ni3 Ni1 135.80(11) 6_565 . ?
C3 Ni3 Ni1 148.7(2) . . ?
Sb1 Ni3 Ni1 28.30(10) . . ?
C4 Ni3 Ni1 45.8(4) . . ?
Sb2 Ni3 Ni1 59.37(10) . . ?
Ni4 Ni3 Ni1 57.29(11) . . ?
Ni2 Ni3 Ni1 59.89(12) . . ?
Ni3 Ni3 Sb1 30.45(8) 6_565 6_565 ?
C3 Ni3 Sb1 97.5(3) . 6_565 ?
Sb1 Ni3 Sb1 105.44(16) . 6_565 ?
C4 Ni3 Sb1 105.6(5) . 6_565 ?
Sb2 Ni3 Sb1 120.73(13) . 6_565 ?
Ni4 Ni3 Sb1 63.17(8) . 6_565 ?
Ni2 Ni3 Sb1 60.24(10) . 6_565 ?
Ni1 Ni3 Sb1 110.59(14) . 6_565 ?
Ni3 Ni3 Ni2 70.54(10) 6_565 6_565 ?
C3 Ni3 Ni2 121.3(6) . 6_565 ?
Sb1 Ni3 Ni2 65.44(12) . 6_565 ?
C4 Ni3 Ni2 66.5(5) . 6_565 ?
Sb2 Ni3 Ni2 119.54(14) . 6_565 ?
Ni4 Ni3 Ni2 55.94(9) . 6_565 ?
Ni2 Ni3 Ni2 20.07(14) . 6_565 ?
Ni1 Ni3 Ni2 76.88(13) . 6_565 ?
Sb1 Ni3 Ni2 40.19(9) 6_565 6_565 ?
Ni3 Ni3 Sb2 50.19(6) 6_565 6_565 ?
C3 Ni3 Sb2 98.0(5) . 6_565 ?
Sb1 Ni3 Sb2 130.50(15) . 6_565 ?
C4 Ni3 Sb2 147.6(4) . 6_565 ?
Sb2 Ni3 Sb2 63.49(8) . 6_565 ?
Ni4 Ni3 Sb2 58.36(7) . 6_565 ?
Ni2 Ni3 Sb2 109.06(13) . 6_565 ?
Ni1 Ni3 Sb2 105.85(13) . 6_565 ?
Sb1 Ni3 Sb2 65.56(8) 6_565 6_565 ?
Ni2 Ni3 Sb2 95.06(12) 6_565 6_565 ?
O3 C3 Ni3 164.6(6) . . ?
O3 C3 Ni3 164.6(6) . 6_565 ?
Ni3 C3 Ni3 29.3(3) . 6_565 ?
O6 C6 C5 107.7(16) . . ?
O6 C6 H6A 110.2 . . ?
C5 C6 H6A 110.2 . . ?
O6 C6 H6B 110.2 . . ?
C5 C6 H6B 110.2 . . ?
H6A C6 H6B 108.5 . . ?
C6 O6 C7 104.4(15) . . ?
C6 O6 K1 120.5(12) . . ?
C7 O6 K1 123.9(11) . . ?
C5 O5 C5 109(2) . 6_565 ?
C5 O5 K1 110.3(12) . . ?
C5 O5 K1 110.3(12) 6_565 . ?
O5 C5 C6 108.2(16) . . ?
O5 C5 H5A 110.1 . . ?
C6 C5 H5A 110.1 . . ?
O5 C5 H5B 110.1 . . ?
C6 C5 H5B 110.1 . . ?
H5A C5 H5B 108.4 . . ?
C19 C24 C17 167(9) . 4_546 ?
C19 C24 O15 106(7) . 4_546 ?
C17 C24 O15 61(4) 4_546 4_546 ?
C19 C24 O9 49(6) . . ?
C17 C24 O9 130(5) 4_546 . ?
O15 C24 O9 92(4) 4_546 . ?
C19 C24 C21 22(5) . . ?
C17 C24 C21 161(6) 4_546 . ?
O15 C24 C21 112(4) 4_546 . ?
O9 C24 C21 32(2) . . ?
C4 O4 Sb1 11.6(7) . . ?
Ni1 Ni4 Ni1 143.63(18) . 6_565 ?
Ni1 Ni4 Ni1 36.37(18) . 2_657 ?
Ni1 Ni4 Ni1 180.0 6_565 2_657 ?
Ni1 Ni4 Ni1 180.0 . 5_667 ?
Ni1 Ni4 Ni1 36.37(18) 6_565 5_667 ?
Ni1 Ni4 Ni1 143.63(18) 2_657 5_667 ?
Ni1 Ni4 Ni2 85.84(11) . 6_565 ?
Ni1 Ni4 Ni2 64.07(11) 6_565 6_565 ?
Ni1 Ni4 Ni2 115.93(11) 2_657 6_565 ?
Ni1 Ni4 Ni2 94.16(11) 5_667 6_565 ?
Ni1 Ni4 Ni2 94.16(11) . 2_657 ?
Ni1 Ni4 Ni2 115.93(11) 6_565 2_657 ?
Ni1 Ni4 Ni2 64.07(11) 2_657 2_657 ?
Ni1 Ni4 Ni2 85.84(11) 5_667 2_657 ?
Ni2 Ni4 Ni2 180.00(7) 6_565 2_657 ?
Ni1 Ni4 Ni2 115.93(11) . 5_667 ?
Ni1 Ni4 Ni2 94.16(11) 6_565 5_667 ?
Ni1 Ni4 Ni2 85.84(11) 2_657 5_667 ?
Ni1 Ni4 Ni2 64.07(11) 5_667 5_667 ?
Ni2 Ni4 Ni2 157.87(15) 6_565 5_667 ?
Ni2 Ni4 Ni2 22.13(15) 2_657 5_667 ?
Ni1 Ni4 Ni2 64.07(11) . . ?
Ni1 Ni4 Ni2 85.84(11) 6_565 . ?
Ni1 Ni4 Ni2 94.16(11) 2_657 . ?
Ni1 Ni4 Ni2 115.93(11) 5_667 . ?
Ni2 Ni4 Ni2 22.13(15) 6_565 . ?
Ni2 Ni4 Ni2 157.87(15) 2_657 . ?
Ni2 Ni4 Ni2 180.0 5_667 . ?
Ni1 Ni4 Ni3 84.74(11) . 6_565 ?
Ni1 Ni4 Ni3 64.28(11) 6_565 6_565 ?
Ni1 Ni4 Ni3 115.72(11) 2_657 6_565 ?
Ni1 Ni4 Ni3 95.26(11) 5_667 6_565 ?
Ni2 Ni4 Ni3 63.56(11) 6_565 6_565 ?
Ni2 Ni4 Ni3 116.44(11) 2_657 6_565 ?
Ni2 Ni4 Ni3 112.09(10) 5_667 6_565 ?
Ni2 Ni4 Ni3 67.91(10) . 6_565 ?
Ni1 Ni4 Ni3 95.26(11) . 2_657 ?
Ni1 Ni4 Ni3 115.72(11) 6_565 2_657 ?
Ni1 Ni4 Ni3 64.28(11) 2_657 2_657 ?
Ni1 Ni4 Ni3 84.74(11) 5_667 2_657 ?
Ni2 Ni4 Ni3 116.44(11) 6_565 2_657 ?
Ni2 Ni4 Ni3 63.56(11) 2_657 2_657 ?
Ni2 Ni4 Ni3 67.91(10) 5_667 2_657 ?
Ni2 Ni4 Ni3 112.09(10) . 2_657 ?
Ni3 Ni4 Ni3 180.0 6_565 2_657 ?
Ni1 Ni4 Ni3 115.72(11) . 5_667 ?
Ni1 Ni4 Ni3 95.26(11) 6_565 5_667 ?
Ni1 Ni4 Ni3 84.74(11) 2_657 5_667 ?
Ni1 Ni4 Ni3 64.28(11) 5_667 5_667 ?
Ni2 Ni4 Ni3 112.09(10) 6_565 5_667 ?
Ni2 Ni4 Ni3 67.91(10) 2_657 5_667 ?
Ni2 Ni4 Ni3 63.56(11) 5_667 5_667 ?
Ni2 Ni4 Ni3 116.44(11) . 5_667 ?
Ni3 Ni4 Ni3 159.24(14) 6_565 5_667 ?
Ni3 Ni4 Ni3 20.76(14) 2_657 5_667 ?
Ni1 Ni4 Ni3 64.28(11) . . ?
Ni1 Ni4 Ni3 84.74(11) 6_565 . ?
Ni1 Ni4 Ni3 95.26(11) 2_657 . ?
Ni1 Ni4 Ni3 115.72(11) 5_667 . ?
Ni2 Ni4 Ni3 67.91(10) 6_565 . ?
Ni2 Ni4 Ni3 112.09(10) 2_657 . ?
Ni2 Ni4 Ni3 116.44(11) 5_667 . ?
Ni2 Ni4 Ni3 63.56(11) . . ?
Ni3 Ni4 Ni3 20.76(14) 6_565 . ?
Ni3 Ni4 Ni3 159.24(14) 2_657 . ?
Ni3 Ni4 Ni3 180.0 5_667 . ?
Sb1 C4 O4 144(2) . . ?
Sb1 C4 Ni1 15.0(10) . . ?
O4 C4 Ni1 129.3(13) . . ?
Sb1 C4 Ni2 74.0(14) . . ?
O4 C4 Ni2 128.9(12) . . ?
Ni1 C4 Ni2 86.3(6) . . ?
Sb1 C4 Ni3 76.1(14) . . ?
O4 C4 Ni3 127.4(13) . . ?
Ni1 C4 Ni3 85.7(5) . . ?
Ni2 C4 Ni3 83.9(6) . . ?
O7 C8 C7 111.9(17) . . ?
O7 C8 H8A 109.2 . . ?
C7 C8 H8A 109.2 . . ?
O7 C8 H8B 109.2 . . ?
C7 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
O8 C10 C9 109.0(13) . . ?
O8 C10 H10A 109.9 . . ?
C9 C10 H10A 109.9 . . ?
O8 C10 H10B 109.9 . . ?
C9 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
C20 O10 O10 58.0(19) . 6_565 ?
C20 O10 C18 111(4) . 6_565 ?
O10 O10 C18 166(4) 6_565 6_565 ?
C20 O10 C11 89(4) . 6_565 ?
O10 O10 C11 147(4) 6_565 6_565 ?
C18 O10 C11 28(6) 6_565 6_565 ?
C20 O10 O11 134(4) . 6_565 ?
O10 O10 O11 150.2(12) 6_565 6_565 ?
C18 O10 O11 43(5) 6_565 6_565 ?
C11 O10 O11 51(4) 6_565 6_565 ?
C20 O10 K2 119(3) . . ?
O10 O10 K2 77.5(6) 6_565 . ?
C18 O10 K2 116(5) 6_565 . ?
C11 O10 K2 118(5) 6_565 . ?
O11 O10 K2 73.4(10) 6_565 . ?
C16 O11 O9 83(7) . . ?
C16 O11 C18 71(6) . . ?
O9 O11 C18 153(7) . . ?
C16 O11 C11 86(7) . . ?
O9 O11 C11 151(7) . . ?
C18 O11 C11 29(8) . . ?
C16 O11 C21 44(5) . . ?
O9 O11 C21 40(3) . . ?
C18 O11 C21 114(6) . . ?
C11 O11 C21 128(5) . . ?
C16 O11 O10 121(7) . 6_565 ?
O9 O11 O10 153(2) . 6_565 ?
C18 O11 O10 53(6) . 6_565 ?
C11 O11 O10 53(5) . 6_565 ?
C21 O11 O10 155(5) . 6_565 ?
C16 O11 K2 153(6) . . ?
O9 O11 K2 79.4(14) . . ?
C18 O11 K2 126(7) . . ?
C11 O11 K2 119(5) . . ?
C21 O11 K2 113(3) . . ?
O10 O11 K2 73.4(11) 6_565 . ?
C18 C11 O11 60(10) . . ?
C18 C11 O10 73(10) . 6_565 ?
O11 C11 O10 76(4) . 6_565 ?
C18 C11 C16 46(10) . . ?
O11 C11 C16 41(3) . . ?
O10 C11 C16 106(5) 6_565 . ?
C18 C11 C20 107(10) . . ?
O11 C11 C20 114(6) . . ?
O10 C11 C20 41(4) 6_565 . ?
C16 C11 C20 147(6) . . ?
N1 C13 C14 99.6(15) . . ?
N1 C13 H13A 111.9 . . ?
C14 C13 H13A 111.9 . . ?
N1 C13 H13B 111.9 . . ?
C14 C13 H13B 111.9 . . ?
H13A C13 H13B 109.6 . . ?
O13 C12 C17 89(5) . . ?
O13 C12 C15 100(6) . . ?
C17 C12 C15 139(5) . . ?
O13 C12 C22 81(5) . 6_575 ?
C17 C12 C22 167(6) . 6_575 ?
C15 C12 C22 51(3) . 6_575 ?
O13 C12 O15 35(4) . . ?
C17 C12 O15 54(3) . . ?
C15 C12 O15 128(4) . . ?
C22 C12 O15 115(4) 6_575 . ?
O13 C12 K2 33(4) . 7_566 ?
C17 C12 K2 88(3) . 7_566 ?
C15 C12 K2 79(3) . 7_566 ?
C22 C12 K2 87(3) 6_575 7_566 ?
O15 C12 K2 49(2) . 7_566 ?
C12 O13 O15 112(6) . . ?
C12 O13 C17 55(4) . . ?
O15 O13 C17 57(3) . . ?
C12 O13 C22 64(4) . 6_575 ?
O15 O13 C22 166(4) . 6_575 ?
C17 O13 C22 119(3) . 6_575 ?
C12 O13 C15 50(4) . . ?
O15 O13 C15 147(5) . . ?
C17 O13 C15 97(3) . . ?
C22 O13 C15 42(2) 6_575 . ?
C12 O13 K2 138(5) . 7_566 ?
O15 O13 K2 77(3) . 7_566 ?
C17 O13 K2 114(2) . 7_566 ?
C22 O13 K2 115(3) 6_575 7_566 ?
C15 O13 K2 99(2) . 7_566 ?
C22 C15 C12 65(5) 6_575 . ?
C22 C15 O14 66(4) 6_575 6_575 ?
C12 C15 O14 107(4) . 6_575 ?
C22 C15 O13 58(4) 6_575 . ?
C12 C15 O13 30(3) . . ?
O14 C15 O13 78(2) 6_575 . ?
C22 C15 C23 45(4) 6_575 6_575 ?
C12 C15 C23 106(5) . 6_575 ?
O14 C15 C23 33.0(16) 6_575 6_575 ?
O13 C15 C23 87(3) . 6_575 ?
C22 C15 K2 90(3) 6_575 7_566 ?
C12 C15 K2 80(3) . 7_566 ?
O14 C15 K2 50.2(14) 6_575 7_566 ?
O13 C15 K2 53.6(14) . 7_566 ?
C23 C15 K2 80.9(18) 6_575 7_566 ?
O13 O15 C17 84(4) . . ?
O13 O15 C24 136(5) . 4_556 ?
C17 O15 C24 52(3) . 4_556 ?
O13 O15 C12 32(3) . . ?
C17 O15 C12 52(3) . . ?
C24 O15 C12 104(4) 4_556 . ?
O13 O15 C19 163(5) . 4_556 ?
C17 O15 C19 79(4) . 4_556 ?
C24 O15 C19 27(3) 4_556 4_556 ?
C12 O15 C19 131(4) . 4_556 ?
O13 O15 K2 85(3) . 7_566 ?
C17 O15 K2 129(3) . 7_566 ?
C24 O15 K2 119(3) 4_556 7_566 ?
C12 O15 K2 108(3) . 7_566 ?
C19 O15 K2 106(3) 4_556 7_566 ?
C21 C16 O11 90(5) . . ?
C21 C16 C18 145(6) . . ?
O11 C16 C18 56(6) . . ?
C21 C16 O9 41(4) . . ?
O11 C16 O9 50(4) . . ?
C18 C16 O9 106(5) . . ?
C21 C16 C11 140(7) . . ?
O11 C16 C11 53(6) . . ?
C18 C16 C11 21(8) . . ?
O9 C16 C11 99(5) . . ?
C11 C18 O11 91(10) . . ?
C11 C18 C16 113(10) . . ?
O11 C18 C16 53(6) . . ?
C11 C18 O10 79(10) . 6_565 ?
O11 C18 O10 84(5) . 6_565 ?
C16 C18 O10 134(6) . 6_565 ?
C11 C18 C20 56(10) . . ?
O11 C18 C20 106(6) . . ?
C16 C18 C20 158(7) . . ?
O10 C18 C20 32(3) 6_565 . ?
C24 C17 C12 141(6) 4_556 . ?
C24 C17 O15 67(4) 4_556 . ?
C12 C17 O15 74(4) . . ?
C24 C17 O13 106(5) 4_556 . ?
C12 C17 O13 36(3) . . ?
O15 C17 O13 39(2) . . ?
C24 C17 C19 5(4) 4_556 4_556 ?
C12 C17 C19 136(4) . 4_556 ?
O15 C17 C19 62(3) . 4_556 ?
O13 C17 C19 100(3) . 4_556 ?
C24 C19 C21 143(8) . . ?
C24 C19 O9 103(7) . . ?
C21 C19 O9 46(4) . . ?
C24 C19 O15 47(5) . 4_546 ?
C21 C19 O15 133(6) . 4_546 ?
O9 C19 O15 91(3) . 4_546 ?
C24 C19 C17 8(5) . 4_546 ?
C21 C19 C17 146(5) . 4_546 ?
O9 C19 C17 103(3) . 4_546 ?
O15 C19 C17 39.5(19) 4_546 4_546 ?
O10 C20 O10 64(4) . 6_565 ?
O10 C20 C11 113(4) . . ?
O10 C20 C11 49(2) 6_565 . ?
O10 C20 C11 49(2) . 6_565 ?
O10 C20 C11 113(4) 6_565 6_565 ?
C11 C20 C11 158(5) . 6_565 ?
O10 C20 C18 100(3) . . ?
O10 C20 C18 37(2) 6_565 . ?
C11 C20 C18 17(5) . . ?
C11 C20 C18 149(3) 6_565 . ?
O10 C20 C18 37(2) . 6_565 ?
O10 C20 C18 100(3) 6_565 6_565 ?
C11 C20 C18 149(3) . 6_565 ?
C11 C20 C18 17(5) 6_565 6_565 ?
C18 C20 C18 135(5) . 6_565 ?
O10 C20 K2 44.7(19) . . ?
O10 C20 K2 44.7(19) 6_565 . ?
C11 C20 K2 79(3) . . ?
C11 C20 K2 79(3) 6_565 . ?
C18 C20 K2 75(2) . . ?
C18 C20 K2 75(2) 6_565 . ?
O9 C21 C16 93(8) . . ?
O9 C21 C19 78(5) . . ?
C16 C21 C19 167(7) . . ?
O9 C21 O11 48(4) . . ?
C16 C21 O11 46(4) . . ?
C19 C21 O11 123(4) . . ?
O9 C21 C24 67(5) . . ?
C16 C21 C24 160(6) . . ?
C19 C21 C24 16(3) . . ?
O11 C21 C24 114(4) . . ?
O14 C23 C22 85(4) . . ?
O14 C23 C23 75(3) . 6_575 ?
C22 C23 C23 159(3) . 6_575 ?
O14 C23 O14 35(2) . 6_575 ?
C22 C23 O14 120(3) . 6_575 ?
C23 C23 O14 39.2(18) 6_575 6_575 ?
O14 C23 C15 63(3) . 6_575 ?
C22 C23 C15 39(3) . 6_575 ?
C23 C23 C15 129(3) 6_575 6_575 ?
O14 C23 C15 95(3) 6_575 6_575 ?
C15 C22 C23 97(6) 6_575 . ?
C15 C22 C12 64(4) 6_575 6_575 ?
C23 C22 C12 150(5) . 6_575 ?
C15 C22 O13 80(4) 6_575 6_575 ?
C23 C22 O13 123(4) . 6_575 ?
C12 C22 O13 35(2) 6_575 6_575 ?
C15 C22 O14 72(4) 6_575 . ?
C23 C22 O14 40(2) . . ?
C12 C22 O14 110(4) 6_575 . ?
O13 C22 O14 88(3) 6_575 . ?
N2 C14 N2 136(5) . 6_565 ?
N2 C14 C13 99.0(14) . . ?
N2 C14 C13 99.0(14) 6_565 . ?
O14 O14 C23 105(3) 6_575 . ?
O14 O14 C23 39.2(18) 6_575 6_575 ?
C23 O14 C23 66(5) . 6_575 ?
O14 O14 C22 160(2) 6_575 . ?
C23 O14 C22 55(3) . . ?
C23 O14 C22 121(3) 6_575 . ?
O14 O14 C15 150(2) 6_575 6_575 ?
C23 O14 C15 84(4) . 6_575 ?
C23 O14 C15 139(3) 6_575 6_575 ?
C22 O14 C15 42(2) . 6_575 ?
O14 O14 K2 80.7(5) 6_575 7_566 ?
C23 O14 K2 154(4) . 7_566 ?
C23 O14 K2 116(2) 6_575 7_566 ?
C22 O14 K2 115(2) . 7_566 ?
C15 O14 K2 104(2) 6_575 7_566 ?
O7 C9 C10 107.9(16) . . ?
O7 C9 H9A 110.1 . . ?
C10 C9 H9A 110.1 . . ?
O7 C9 H9B 110.1 . . ?
C10 C9 H9B 110.1 . . ?
H9A C9 H9B 108.4 . . ?
C21 O9 O11 92(6) . . ?
C21 O9 C19 56(5) . . ?
O11 O9 C19 142(5) . . ?
C21 O9 C16 46(5) . . ?
O11 O9 C16 47(4) . . ?
C19 O9 C16 101(4) . . ?
C21 O9 C24 81(6) . . ?
O11 O9 C24 167(4) . . ?
C19 O9 C24 28(3) . . ?
C16 O9 C24 127(4) . . ?
C21 O9 K2 146(4) . . ?
O11 O9 K2 78.2(15) . . ?
C19 O9 K2 116(2) . . ?
C16 O9 K2 122(4) . . ?
C24 O9 K2 101(2) . . ?
C10 O8 C10 110(2) . 6_565 ?
C10 O8 K1 122.9(11) . . ?
C10 O8 K1 122.9(11) 6_565 . ?
C8 O7 C9 110.5(16) . . ?
C8 O7 K1 107.5(10) . . ?
C9 O7 K1 110.6(10) . . ?
O6 C7 C8 103.8(15) . . ?
O6 C7 H7A 111.0 . . ?
C8 C7 H7A 111.0 . . ?
O6 C7 H7B 111.0 . . ?
C8 C7 H7B 111.0 . . ?
H7A C7 H7B 109.0 . . ?

_refine_diff_density_max         1.019
_refine_diff_density_min         -1.435
_refine_diff_density_rms         0.127

####################################################################### 
# 
# 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_x
_database_code_depnum_ccdc_archive 'CCDC 2046410'
loop_
_audit_author_name
_audit_author_address
'Lin lifang'
;fujian institute of research on the structure of matter
China
;
_audit_update_record             
;
2021-04-15 deposited with the CCDC.	2021-09-23 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            'C104 H216 Br0 K0 N0 Ni10 O8 P6 Sb22'
_chemical_formula_weight         5046.17

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'
P P 0.1023 0.0942 '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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   40.617(5)
_cell_length_b                   20.306(3)
_cell_length_c                   18.989(2)
_cell_angle_alpha                90
_cell_angle_beta                 96.782(4)
_cell_angle_gamma                90
_cell_volume                     15553(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6249
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      22.92

_exptl_crystal_description       sheet
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.155
_exptl_crystal_F_000             9584
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    5.025
_shelx_estimated_absorpt_T_min   0.433
_shelx_estimated_absorpt_T_max   0.633
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0097
_exptl_absorpt_correction_T_max  0.0243
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41560
_diffrn_reflns_av_unetI/netI     0.0641
_diffrn_reflns_av_R_equivalents  0.0616
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.487
_diffrn_reflns_theta_max         23.388
_diffrn_reflns_theta_full        23.388
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             11227
_reflns_number_gt                4686
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_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)+(0.1201P)²+255.9779P] 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         11227
_refine_ls_number_parameters     677
_refine_ls_number_restraints     811
_refine_ls_R_factor_all          0.1745
_refine_ls_R_factor_gt           0.0851
_refine_ls_wR_factor_ref         0.2924
_refine_ls_wR_factor_gt          0.2268
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.008
_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
Sb1 Sb 0.52251(5) 0.19258(9) 0.69908(9) 0.1214(6) Uani 1 1 d . . . . .
Sb2 Sb 0.49787(5) 0.29313(11) 0.60045(11) 0.1422(8) Uani 1 1 d . . . . .
Sb3 Sb 0.47069(6) 0.38313(10) 0.69645(15) 0.1714(10) Uani 1 1 d . . . . .
Sb4 Sb 0.42771(5) 0.28551(11) 0.74874(11) 0.1374(7) Uani 1 1 d . . . . .
Sb5 Sb 0.43696(5) 0.17129(8) 0.61141(10) 0.1211(6) Uani 1 1 d . . . . .
Sb6 Sb 0.41557(7) 0.14277(12) 0.46050(13) 0.1727(10) Uani 1 1 d . . . . .
Ni1 Ni 0.43653(8) 0.29334(14) 0.61984(17) 0.1107(9) Uani 1 1 d . . . . .
Ni2 Ni 0.38456(8) 0.22883(17) 0.65158(18) 0.1247(11) Uani 1 1 d D U . . .
Ni3 Ni 0.45374(10) 0.2410(2) 0.5051(2) 0.1423(13) Uani 1 1 d D U . . .
Ni4 Ni 0.35749(10) 0.19988(18) 0.4428(2) 0.1430(13) Uani 1 1 d . U . . .
Ni5 Ni 0.36248(9) 0.33187(17) 0.4649(2) 0.1333(12) Uani 1 1 d . . . . .
O1 O 0.3498(6) 0.176(2) 0.7665(13) 0.34(2) Uani 1 1 d D . . . .
O2 O 0.5091(8) 0.209(2) 0.4222(18) 0.36(2) Uani 1 1 d D U . . .
O3 O 0.3172(8) 0.1310(13) 0.3288(15) 0.229(13) Uani 1 1 d . . . . .
O4 O 0.3219(6) 0.4303(12) 0.3861(14) 0.210(11) Uani 1 1 d . . . . .
C1 C 0.3640(6) 0.203(2) 0.7225(13) 0.202(17) Uani 1 1 d D U . . .
C2 C 0.4866(8) 0.221(3) 0.4559(18) 0.24(2) Uani 1 1 d D U . . .
C3 C 0.3322(8) 0.1603(16) 0.3767(18) 0.149(9) Uani 1 1 d . U . . .
C4 C 0.3389(9) 0.3903(14) 0.415(2) 0.184(16) Uani 1 1 d . . . . .
P1 P 0.4034(2) 0.5751(4) 0.4494(5) 0.168(3) Uani 1 1 d D U . . .
P2 P 0.2507(4) 0.2019(8) 0.7008(9) 0.284(6) Uani 1 1 d D U . . .
P3 P 0.4060(4) -0.0422(6) 0.7024(8) 0.247(5) Uani 1 1 d D U . . .
C5 C 0.3786(6) 0.5385(16) 0.5108(17) 0.212(6) Uani 1 1 d D U . . .
H5A H 0.377737 0.490556 0.501244 0.254 Uiso 1 1 calc R U . . .
H5B H 0.390528 0.544372 0.558944 0.254 Uiso 1 1 calc R U . . .
C6 C 0.3435(6) 0.5614(17) 0.5132(17) 0.225(7) Uani 1 1 d D U . . .
H6A H 0.330440 0.554170 0.466475 0.271 Uiso 1 1 calc R U . . .
H6B H 0.343390 0.609152 0.523737 0.271 Uiso 1 1 calc R U . . .
C7 C 0.3275(7) 0.5234(16) 0.5708(19) 0.223(8) Uani 1 1 d D U . . .
H7A H 0.324178 0.476948 0.555654 0.267 Uiso 1 1 calc R U . . .
H7B H 0.342893 0.523716 0.615314 0.267 Uiso 1 1 calc R U . . .
Sb7 Sb 0.36731(6) 0.13387(10) 0.56019(13) 0.1548(8) Uani 1 1 d . U . . .
C8 C 0.2946(8) 0.552(2) 0.585(2) 0.270(13) Uani 1 1 d D U . . .
H8A H 0.298108 0.596579 0.604806 0.405 Uiso 1 1 calc R U . . .
H8B H 0.284655 0.524236 0.618767 0.405 Uiso 1 1 calc R U . . .
H8C H 0.279735 0.554602 0.540461 0.405 Uiso 1 1 calc DR U . . .
Sb8 Sb 0.40241(6) 0.27015(13) 0.39665(11) 0.1625(9) Uani 1 1 d . U . . .
C9 C 0.4457(5) 0.5561(17) 0.4815(13) 0.215(6) Uani 1 1 d D U . . .
H9A H 0.448724 0.507778 0.479819 0.258 Uiso 1 1 calc R U . . .
H9B H 0.460267 0.576076 0.448977 0.258 Uiso 1 1 calc R U . . .
Sb9 Sb 0.33310(5) 0.25802(10) 0.54388(11) 0.1341(7) Uani 1 1 d . U . . .
C10 C 0.4572(6) 0.5801(14) 0.5576(12) 0.214(7) Uani 1 1 d D U . . .
H10A H 0.454848 0.628602 0.559439 0.257 Uiso 1 1 calc R U . . .
H10B H 0.442646 0.560701 0.590431 0.257 Uiso 1 1 calc R U . . .
Sb10 Sb 0.42664(5) 0.36075(10) 0.50418(13) 0.1492(8) Uani 1 1 d . U . . .
C11 C 0.4927(6) 0.5616(17) 0.5818(14) 0.205(8) Uani 1 1 d D U . . .
H11A H 0.494148 0.513167 0.587283 0.246 Uiso 1 1 calc R U . . .
H11B H 0.506585 0.574268 0.544451 0.246 Uiso 1 1 calc R U . . .
Sb11 Sb 0.37963(5) 0.35329(9) 0.60425(11) 0.1364(7) Uani 1 1 d . U . . .
C12 C 0.5069(7) 0.5931(18) 0.6504(15) 0.221(12) Uani 1 1 d D U . . .
H12A H 0.529868 0.578730 0.662535 0.332 Uiso 1 1 calc R U . . .
H12B H 0.506183 0.641072 0.645265 0.332 Uiso 1 1 calc R U . . .
H12C H 0.493726 0.579876 0.688163 0.332 Uiso 1 1 calc R U . . .
C13 C 0.3944(8) 0.6616(7) 0.4322(15) 0.223(6) Uani 1 1 d D U . . .
H13A H 0.400948 0.672445 0.384997 0.267 Uiso 1 1 calc R U . . .
H13B H 0.370039 0.667544 0.429208 0.267 Uiso 1 1 calc R U . . .
C14 C 0.4102(8) 0.7104(9) 0.4839(15) 0.231(7) Uani 1 1 d D U . . .
H14A H 0.434382 0.702222 0.491386 0.277 Uiso 1 1 calc R U . . .
H14B H 0.401428 0.704322 0.529952 0.277 Uiso 1 1 calc R U . . .
C15 C 0.4039(8) 0.7825(10) 0.459(2) 0.240(9) Uani 1 1 d D U . . .
H15A H 0.416967 0.813481 0.490994 0.288 Uiso 1 1 calc R U . . .
H15B H 0.410266 0.788402 0.410242 0.288 Uiso 1 1 calc R U . . .
C16 C 0.3660(9) 0.7954(12) 0.459(3) 0.291(13) Uani 1 1 d D U . . .
H16A H 0.360786 0.840620 0.443082 0.436 Uiso 1 1 calc R U . . .
H16B H 0.353360 0.764425 0.426546 0.436 Uiso 1 1 calc R U . . .
H16C H 0.360028 0.789382 0.506904 0.436 Uiso 1 1 calc R U . . .
C17 C 0.3880(8) 0.5491(13) 0.3576(12) 0.218(6) Uani 1 1 d D U . . .
H17A H 0.365251 0.531703 0.357616 0.262 Uiso 1 1 calc R U . . .
H17B H 0.386544 0.588648 0.326926 0.262 Uiso 1 1 calc R U . . .
C18 C 0.4080(8) 0.4987(16) 0.3249(13) 0.224(8) Uani 1 1 d D U . . .
H18A H 0.412095 0.460958 0.357830 0.268 Uiso 1 1 calc R U . . .
H18B H 0.429785 0.517848 0.317699 0.268 Uiso 1 1 calc R U . . .
C19 C 0.3908(9) 0.4737(16) 0.2533(14) 0.232(9) Uani 1 1 d D U . . .
H19A H 0.367285 0.464304 0.258237 0.278 Uiso 1 1 calc R U . . .
H19B H 0.391353 0.509003 0.217540 0.278 Uiso 1 1 calc R U . . .
C20 C 0.4063(10) 0.4131(16) 0.2268(17) 0.269(14) Uani 1 1 d D U . . .
H20A H 0.394125 0.399966 0.181273 0.404 Uiso 1 1 calc R U . . .
H20B H 0.429423 0.422131 0.220515 0.404 Uiso 1 1 calc R U . . .
H20C H 0.405327 0.377381 0.261258 0.404 Uiso 1 1 calc R U . . .
C21 C 0.2601(11) 0.2905(13) 0.691(2) 0.313(8) Uani 1 1 d D U . . .
H21A H 0.265578 0.297486 0.641992 0.376 Uiso 1 1 calc DR U . . .
H21B H 0.239536 0.315602 0.695456 0.376 Uiso 1 1 calc R U . . .
C22 C 0.2873(10) 0.3199(14) 0.741(2) 0.317(11) Uani 1 1 d D U . . .
H22A H 0.307375 0.292057 0.741678 0.380 Uiso 1 1 calc R U . . .
H22B H 0.280581 0.320126 0.789354 0.380 Uiso 1 1 calc R U . . .
C23 C 0.2957(12) 0.3902(17) 0.720(2) 0.321(11) Uani 1 1 d D U . . .
H23A H 0.316248 0.389296 0.696876 0.385 Uiso 1 1 calc R U . . .
H23B H 0.277628 0.406933 0.685238 0.385 Uiso 1 1 calc R U . . .
C24 C 0.3005(13) 0.4374(17) 0.782(3) 0.340(15) Uani 1 1 d D U . . .
H24A H 0.305785 0.481296 0.765558 0.511 Uiso 1 1 calc R U . . .
H24B H 0.280086 0.439486 0.805153 0.511 Uiso 1 1 calc R U . . .
H24C H 0.318745 0.421831 0.816802 0.511 Uiso 1 1 calc R U . . .
C25 C 0.2387(8) 0.1794(18) 0.6057(15) 0.316(9) Uani 1 1 d D U . . .
H25A H 0.215731 0.162412 0.600495 0.379 Uiso 1 1 calc R U . . .
H25B H 0.238900 0.219829 0.576671 0.379 Uiso 1 1 calc DR U . . .
C26 C 0.2608(11) 0.129(2) 0.5764(12) 0.314(10) Uani 1 1 d D U . . .
H26A H 0.256260 0.084584 0.595725 0.377 Uiso 1 1 calc R U . . .
H26B H 0.284329 0.139442 0.591386 0.377 Uiso 1 1 calc R U . . .
C27 C 0.2544(12) 0.127(2) 0.4944(13) 0.314(11) Uani 1 1 d D U . . .
H27A H 0.230235 0.129092 0.479245 0.377 Uiso 1 1 calc R U . . .
H27B H 0.264923 0.165521 0.474651 0.377 Uiso 1 1 calc R U . . .
C28 C 0.2682(12) 0.065(2) 0.4663(17) 0.327(16) Uani 1 1 d D U . . .
H28A H 0.263926 0.064513 0.414387 0.491 Uiso 1 1 calc R U . . .
H28B H 0.292141 0.062885 0.480739 0.491 Uiso 1 1 calc R U . . .
H28C H 0.257507 0.026512 0.485326 0.491 Uiso 1 1 calc R U . . .
C29 C 0.2057(6) 0.199(3) 0.7102(19) 0.313(7) Uani 1 1 d D U . . .
H29A H 0.193496 0.226110 0.672752 0.375 Uiso 1 1 calc R U . . .
H29B H 0.197833 0.152698 0.702963 0.375 Uiso 1 1 calc R U . . .
C30 C 0.1977(8) 0.223(3) 0.783(2) 0.321(8) Uani 1 1 d D U . . .
H30A H 0.199905 0.271106 0.785392 0.385 Uiso 1 1 calc R U . . .
H30B H 0.213622 0.203182 0.820506 0.385 Uiso 1 1 calc R U . . .
C31 C 0.1621(8) 0.203(3) 0.794(2) 0.311(10) Uani 1 1 d D U . . .
H31A H 0.145984 0.224980 0.759035 0.373 Uiso 1 1 calc R U . . .
H31B H 0.159289 0.154507 0.788029 0.373 Uiso 1 1 calc R U . . .
C32 C 0.1555(10) 0.222(3) 0.869(2) 0.323(16) Uani 1 1 d D U . . .
H32A H 0.132894 0.209209 0.875969 0.484 Uiso 1 1 calc R U . . .
H32B H 0.171354 0.199364 0.903529 0.484 Uiso 1 1 calc R U . . .
H32C H 0.158080 0.269677 0.874601 0.484 Uiso 1 1 calc R U . . .
C33 C 0.2663(11) 0.1194(13) 0.7331(13) 0.322(7) Uani 1 1 d D U . . .
H33A H 0.253531 0.084686 0.705416 0.387 Uiso 1 1 calc R U . . .
H33B H 0.289855 0.114917 0.724855 0.387 Uiso 1 1 calc DR U . . .
C34 C 0.2635(10) 0.1091(17) 0.8128(16) 0.333(9) Uani 1 1 d D U . . .
H34A H 0.243414 0.082981 0.818680 0.399 Uiso 1 1 calc R U . . .
H34B H 0.261612 0.152221 0.836351 0.399 Uiso 1 1 calc R U . . .
C35 C 0.2953(10) 0.0718(17) 0.8472(18) 0.338(10) Uani 1 1 d D U . . .
H35A H 0.315556 0.095995 0.838501 0.406 Uiso 1 1 calc R U . . .
H35B H 0.294937 0.067376 0.899041 0.406 Uiso 1 1 calc R U . . .
C36 C 0.2944(10) 0.0040(13) 0.8120(14) 0.347(12) Uani 1 1 d D U . . .
H36A H 0.313819 -0.021521 0.831696 0.521 Uiso 1 1 calc R U . . .
H36B H 0.274160 -0.019224 0.821007 0.521 Uiso 1 1 calc R U . . .
H36C H 0.294671 0.009245 0.760785 0.521 Uiso 1 1 calc DR U . . .
C37 C 0.4002(11) 0.0336(13) 0.7533(14) 0.297(7) Uani 1 1 d D U . . .
H37A H 0.421640 0.057186 0.762254 0.357 Uiso 1 1 calc R U . . .
H37B H 0.384274 0.062870 0.724960 0.357 Uiso 1 1 calc R U . . .
C38 C 0.3875(11) 0.0184(18) 0.8237(17) 0.304(8) Uani 1 1 d D U . . .
H38A H 0.396164 -0.024789 0.841466 0.365 Uiso 1 1 calc R U . . .
H38B H 0.362959 0.015735 0.816682 0.365 Uiso 1 1 calc R U . . .
C39 C 0.3984(12) 0.0725(19) 0.8794(16) 0.311(10) Uani 1 1 d D U . . .
H39A H 0.422829 0.076890 0.886043 0.373 Uiso 1 1 calc R U . . .
H39B H 0.388533 0.115504 0.864229 0.373 Uiso 1 1 calc R U . . .
C40 C 0.3854(12) 0.0489(15) 0.9500(16) 0.328(12) Uani 1 1 d D U . . .
H40A H 0.391546 0.081208 0.987547 0.493 Uiso 1 1 calc R U . . .
H40B H 0.361188 0.044544 0.942361 0.493 Uiso 1 1 calc R U . . .
H40C H 0.395288 0.006152 0.964050 0.493 Uiso 1 1 calc R U . . .
C41 C 0.4331(7) -0.016(2) 0.6372(17) 0.297(7) Uani 1 1 d D U . . .
H41A H 0.431677 -0.049547 0.598812 0.356 Uiso 1 1 calc R U . . .
H41B H 0.424515 0.025708 0.615785 0.356 Uiso 1 1 calc R U . . .
C42 C 0.4699(7) -0.007(2) 0.6653(17) 0.300(8) Uani 1 1 d D U . . .
H42A H 0.476316 -0.036932 0.705354 0.360 Uiso 1 1 calc R U . . .
H42B H 0.473785 0.039175 0.682231 0.360 Uiso 1 1 calc R U . . .
C43 C 0.4909(8) -0.021(2) 0.603(2) 0.303(10) Uani 1 1 d D U . . .
H43A H 0.498632 -0.067602 0.605541 0.364 Uiso 1 1 calc R U . . .
H43B H 0.476972 -0.015144 0.556777 0.364 Uiso 1 1 calc R U . . .
C44 C 0.5206(9) 0.025(2) 0.608(3) 0.325(13) Uani 1 1 d D U . . .
H44A H 0.533726 0.015973 0.568562 0.487 Uiso 1 1 calc R U . . .
H44B H 0.512797 0.070842 0.604309 0.487 Uiso 1 1 calc R U . . .
H44C H 0.534404 0.018514 0.652952 0.487 Uiso 1 1 calc R U . . .
C45 C 0.4149(12) -0.1215(14) 0.7448(19) 0.300(7) Uani 1 1 d D U . . .
H45A H 0.433393 -0.116151 0.783185 0.360 Uiso 1 1 calc R U . . .
H45B H 0.395175 -0.136131 0.766695 0.360 Uiso 1 1 calc R U . . .
C46 C 0.4243(12) -0.1760(12) 0.692(2) 0.297(8) Uani 1 1 d D U . . .
H46A H 0.404837 -0.204266 0.677447 0.356 Uiso 1 1 calc R U . . .
H46B H 0.431668 -0.155540 0.649571 0.356 Uiso 1 1 calc R U . . .
C47 C 0.4524(9) -0.2170(17) 0.732(2) 0.298(10) Uani 1 1 d D U . . .
H47A H 0.473738 -0.195025 0.726550 0.358 Uiso 1 1 calc R U . . .
H47B H 0.449675 -0.217126 0.782906 0.358 Uiso 1 1 calc DR U . . .
C48 C 0.4543(8) -0.2848(11) 0.708(2) 0.293(13) Uani 1 1 d D U . . .
H48A H 0.472916 -0.306975 0.736209 0.439 Uiso 1 1 calc R U . . .
H48B H 0.433634 -0.307702 0.714436 0.439 Uiso 1 1 calc DR U . . .
H48C H 0.457754 -0.285549 0.657946 0.439 Uiso 1 1 calc R U . . .
C49 C 0.3662(7) -0.0375(19) 0.6446(17) 0.302(7) Uani 1 1 d D U . . .
H49A H 0.359700 0.009426 0.640136 0.363 Uiso 1 1 calc R U . . .
H49B H 0.370076 -0.052883 0.596779 0.363 Uiso 1 1 calc R U . . .
C50 C 0.3374(5) -0.0751(18) 0.6662(17) 0.309(8) Uani 1 1 d D U . . .
H50A H 0.329392 -0.053523 0.707768 0.371 Uiso 1 1 calc DR U . . .
H50B H 0.344516 -0.120353 0.680217 0.371 Uiso 1 1 calc R U . . .
C51 C 0.3088(7) -0.078(2) 0.6045(17) 0.309(10) Uani 1 1 d D U . . .
H51A H 0.313231 -0.046263 0.567325 0.371 Uiso 1 1 calc R U . . .
H51B H 0.308066 -0.122783 0.583195 0.371 Uiso 1 1 calc R U . . .
C52 C 0.2757(7) -0.063(3) 0.6293(19) 0.329(12) Uani 1 1 d D U . . .
H52A H 0.258253 -0.065265 0.589059 0.493 Uiso 1 1 calc R U . . .
H52B H 0.271050 -0.094914 0.665491 0.493 Uiso 1 1 calc R U . . .
H52C H 0.276212 -0.018439 0.649631 0.493 Uiso 1 1 calc DR 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
Sb1 Sb1 2.814(3) 2_656 ?
Sb1 Sb4 2.856(3) 2_656 ?
Sb1 Sb2 2.870(3) . ?
Sb2 Ni1 2.561(4) . ?
Sb2 Ni3 2.616(5) . ?
Sb2 Sb3 2.891(3) . ?
Sb3 Ni1 2.625(4) . ?
Sb3 Sb4 2.894(3) . ?
Sb3 Sb3 2.943(5) 2_656 ?
Sb4 Ni1 2.520(4) . ?
Sb4 Ni2 2.653(4) . ?
Sb5 Ni1 2.484(3) . ?
Sb5 Ni2 2.620(4) . ?
Sb5 Ni3 2.620(4) . ?
Sb5 Sb6 2.952(3) . ?
Sb5 Sb7 2.979(3) . ?
Sb6 Ni3 2.605(5) . ?
Sb6 Ni4 2.614(5) . ?
Sb6 Sb8 2.880(4) . ?
Sb6 Sb7 2.887(4) . ?
Ni1 Sb10 2.579(4) . ?
Ni1 Ni3 2.593(5) . ?
Ni1 Sb11 2.598(4) . ?
Ni1 Ni2 2.615(4) . ?
Ni2 C1 1.748(15) . ?
Ni2 Sb7 2.633(4) . ?
Ni2 Sb11 2.682(4) . ?
Ni2 Sb9 2.809(4) . ?
Ni3 C2 1.766(15) . ?
Ni3 Sb10 2.669(4) . ?
Ni3 Sb8 2.815(5) . ?
Ni4 C3 1.72(4) . ?
Ni4 Sb9 2.550(4) . ?
Ni4 Sb8 2.552(5) . ?
Ni4 Sb7 2.591(5) . ?
Ni4 Ni5 2.717(5) . ?
Ni5 C4 1.74(3) . ?
Ni5 Sb9 2.518(4) . ?
Ni5 Sb8 2.526(4) . ?
Ni5 Sb10 2.689(4) . ?
Ni5 Sb11 2.690(4) . ?
O1 C1 1.200(16) . ?
O2 C2 1.199(15) . ?
O3 C3 1.19(3) . ?
O4 C4 1.16(3) . ?
P1 C9 1.796(17) . ?
P1 C5 1.791(16) . ?
P1 C13 1.816(16) . ?
P1 C17 1.858(17) . ?
P2 C21 1.853(18) . ?
P2 C29 1.860(18) . ?
P2 C25 1.869(18) . ?
P2 C33 1.868(17) . ?
P3 C45 1.817(18) . ?
P3 C41 1.830(18) . ?
P3 C49 1.845(18) . ?
P3 C37 1.847(18) . ?
C5 C6 1.504(18) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.542(18) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.513(18) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
Sb7 Sb9 2.878(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
Sb8 Sb10 2.837(3) . ?
C9 C10 1.544(18) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
Sb9 Sb11 2.849(3) . ?
C10 C11 1.511(18) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
Sb10 Sb11 2.852(3) . ?
C11 C12 1.502(18) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.487(18) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.553(17) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.562(19) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.487(18) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.540(18) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.495(18) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.495(19) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.531(19) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.516(19) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.515(19) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.549(19) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.502(19) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.531(19) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.543(19) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.518(19) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.546(18) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.571(19) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.53(2) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.522(19) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.552(19) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.572(19) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.538(19) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.570(19) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.528(19) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.566(19) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.536(19) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.454(14) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.495(19) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.551(19) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.511(19) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?

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
Sb1 Sb1 Sb4 104.62(8) 2_656 2_656 ?
Sb1 Sb1 Sb2 104.11(8) 2_656 . ?
Sb4 Sb1 Sb2 86.24(8) 2_656 . ?
Ni1 Sb2 Ni3 60.11(12) . . ?
Ni1 Sb2 Sb1 100.22(10) . . ?
Ni3 Sb2 Sb1 108.74(12) . . ?
Ni1 Sb2 Sb3 57.17(9) . . ?
Ni3 Sb2 Sb3 114.26(12) . . ?
Sb1 Sb2 Sb3 99.66(9) . . ?
Ni1 Sb3 Sb2 55.08(9) . . ?
Ni1 Sb3 Sb4 54.08(9) . . ?
Sb2 Sb3 Sb4 94.25(8) . . ?
Ni1 Sb3 Sb3 135.61(8) . 2_656 ?
Sb2 Sb3 Sb3 95.62(11) . 2_656 ?
Sb4 Sb3 Sb3 103.57(12) . 2_656 ?
Ni1 Sb4 Ni2 60.66(11) . . ?
Ni1 Sb4 Sb1 101.68(10) . 2_656 ?
Ni2 Sb4 Sb1 109.70(11) . 2_656 ?
Ni1 Sb4 Sb3 57.51(9) . . ?
Ni2 Sb4 Sb3 115.75(11) . . ?
Sb1 Sb4 Sb3 98.07(8) 2_656 . ?
Ni1 Sb5 Ni2 61.57(11) . . ?
Ni1 Sb5 Ni3 61.00(12) . . ?
Ni2 Sb5 Ni3 106.12(13) . . ?
Ni1 Sb5 Sb6 104.76(11) . . ?
Ni2 Sb5 Sb6 102.35(11) . . ?
Ni3 Sb5 Sb6 55.36(11) . . ?
Ni1 Sb5 Sb7 105.18(10) . . ?
Ni2 Sb5 Sb7 55.66(10) . . ?
Ni3 Sb5 Sb7 102.10(12) . . ?
Sb6 Sb5 Sb7 58.25(8) . . ?
Ni3 Sb6 Ni4 101.27(14) . . ?
Ni3 Sb6 Sb8 61.52(11) . . ?
Ni4 Sb6 Sb8 55.10(11) . . ?
Ni3 Sb6 Sb7 105.00(11) . . ?
Ni4 Sb6 Sb7 55.92(11) . . ?
Sb8 Sb6 Sb7 103.04(9) . . ?
Ni3 Sb6 Sb5 55.85(9) . . ?
Ni4 Sb6 Sb5 101.25(11) . . ?
Sb8 Sb6 Sb5 104.55(9) . . ?
Sb7 Sb6 Sb5 61.35(7) . . ?
Sb5 Ni1 Sb4 90.15(11) . . ?
Sb5 Ni1 Sb2 88.55(11) . . ?
Sb4 Ni1 Sb2 113.07(14) . . ?
Sb5 Ni1 Sb10 118.44(14) . . ?
Sb4 Ni1 Sb10 146.60(15) . . ?
Sb2 Ni1 Sb10 86.26(11) . . ?
Sb5 Ni1 Ni3 62.10(12) . . ?
Sb4 Ni1 Ni3 150.86(16) . . ?
Sb2 Ni1 Ni3 61.00(12) . . ?
Sb10 Ni1 Ni3 62.13(12) . . ?
Sb5 Ni1 Sb11 118.24(13) . . ?
Sb4 Ni1 Sb11 85.04(11) . . ?
Sb2 Ni1 Sb11 148.41(14) . . ?
Sb10 Ni1 Sb11 66.87(10) . . ?
Ni3 Ni1 Sb11 114.88(16) . . ?
Sb5 Ni1 Ni2 61.77(11) . . ?
Sb4 Ni1 Ni2 62.18(11) . . ?
Sb2 Ni1 Ni2 149.09(15) . . ?
Sb10 Ni1 Ni2 114.41(15) . . ?
Ni3 Ni1 Ni2 107.06(16) . . ?
Sb11 Ni1 Ni2 61.92(11) . . ?
Sb5 Ni1 Sb3 136.19(15) . . ?
Sb4 Ni1 Sb3 68.41(11) . . ?
Sb2 Ni1 Sb3 67.75(11) . . ?
Sb10 Ni1 Sb3 97.03(12) . . ?
Ni3 Ni1 Sb3 124.97(16) . . ?
Sb11 Ni1 Sb3 98.20(12) . . ?
Ni2 Ni1 Sb3 127.49(16) . . ?
C1 Ni2 Ni1 143.2(12) . . ?
C1 Ni2 Sb5 124.6(13) . . ?
Ni1 Ni2 Sb5 56.66(10) . . ?
C1 Ni2 Sb7 99.9(15) . . ?
Ni1 Ni2 Sb7 111.97(15) . . ?
Sb5 Ni2 Sb7 69.11(11) . . ?
C1 Ni2 Sb4 86.1(12) . . ?
Ni1 Ni2 Sb4 57.16(11) . . ?
Sb5 Ni2 Sb4 84.44(12) . . ?
Sb7 Ni2 Sb4 151.47(16) . . ?
C1 Ni2 Sb11 121.3(15) . . ?
Ni1 Ni2 Sb11 58.73(10) . . ?
Sb5 Ni2 Sb11 110.72(13) . . ?
Sb7 Ni2 Sb11 117.76(14) . . ?
Sb4 Ni2 Sb11 80.86(12) . . ?
C1 Ni2 Sb9 104.1(9) . . ?
Ni1 Ni2 Sb9 106.15(14) . . ?
Sb5 Ni2 Sb9 116.26(14) . . ?
Sb7 Ni2 Sb9 63.74(10) . . ?
Sb4 Ni2 Sb9 142.04(15) . . ?
Sb11 Ni2 Sb9 62.46(10) . . ?
C2 Ni3 Ni1 146.8(16) . . ?
C2 Ni3 Sb6 96.0(18) . . ?
Ni1 Ni3 Sb6 112.20(16) . . ?
C2 Ni3 Sb2 87.9(16) . . ?
Ni1 Ni3 Sb2 58.89(12) . . ?
Sb6 Ni3 Sb2 150.17(18) . . ?
C2 Ni3 Sb5 124.2(15) . . ?
Ni1 Ni3 Sb5 56.89(10) . . ?
Sb6 Ni3 Sb5 68.79(12) . . ?
Sb2 Ni3 Sb5 84.53(13) . . ?
C2 Ni3 Sb10 123.2(16) . . ?
Ni1 Ni3 Sb10 58.67(11) . . ?
Sb6 Ni3 Sb10 117.79(16) . . ?
Sb2 Ni3 Sb10 83.34(14) . . ?
Sb5 Ni3 Sb10 110.65(14) . . ?
C2 Ni3 Sb8 101.7(13) . . ?
Ni1 Ni3 Sb8 106.17(15) . . ?
Sb6 Ni3 Sb8 64.04(12) . . ?
Sb2 Ni3 Sb8 143.97(18) . . ?
Sb5 Ni3 Sb8 116.08(16) . . ?
Sb10 Ni3 Sb8 62.24(11) . . ?
C3 Ni4 Sb9 120.8(11) . . ?
C3 Ni4 Sb8 113.5(10) . . ?
Sb9 Ni4 Sb8 110.90(15) . . ?
C3 Ni4 Sb7 113.8(10) . . ?
Sb9 Ni4 Sb7 68.07(12) . . ?
Sb8 Ni4 Sb7 122.77(17) . . ?
C3 Ni4 Sb6 109.7(11) . . ?
Sb9 Ni4 Sb6 122.25(17) . . ?
Sb8 Ni4 Sb6 67.74(13) . . ?
Sb7 Ni4 Sb6 67.37(13) . . ?
C3 Ni4 Ni5 126.8(10) . . ?
Sb9 Ni4 Ni5 57.02(12) . . ?
Sb8 Ni4 Ni5 57.19(12) . . ?
Sb7 Ni4 Ni5 112.12(16) . . ?
Sb6 Ni4 Ni5 111.60(17) . . ?
C4 Ni5 Sb9 117.5(13) . . ?
C4 Ni5 Sb8 113.9(15) . . ?
Sb9 Ni5 Sb8 112.85(15) . . ?
C4 Ni5 Sb10 117.2(10) . . ?
Sb9 Ni5 Sb10 118.48(15) . . ?
Sb8 Ni5 Sb10 65.83(12) . . ?
C4 Ni5 Sb11 119.3(13) . . ?
Sb9 Ni5 Sb11 66.23(11) . . ?
Sb8 Ni5 Sb11 118.53(15) . . ?
Sb10 Ni5 Sb11 64.04(11) . . ?
C4 Ni5 Ni4 124.3(10) . . ?
Sb9 Ni5 Ni4 58.16(12) . . ?
Sb8 Ni5 Ni4 58.12(13) . . ?
Sb10 Ni5 Ni4 108.07(16) . . ?
Sb11 Ni5 Ni4 108.50(15) . . ?
O1 C1 Ni2 171(5) . . ?
O2 C2 Ni3 177(5) . . ?
O3 C3 Ni4 174(3) . . ?
O4 C4 Ni5 175(4) . . ?
C9 P1 C5 106.3(15) . . ?
C9 P1 C13 115.7(16) . . ?
C5 P1 C13 113.6(16) . . ?
C9 P1 C17 117.3(13) . . ?
C5 P1 C17 109.9(17) . . ?
C13 P1 C17 93.9(10) . . ?
C21 P2 C29 105(2) . . ?
C21 P2 C25 99.9(13) . . ?
C29 P2 C25 86.4(16) . . ?
C21 P2 C33 147(2) . . ?
C29 P2 C33 104(2) . . ?
C25 P2 C33 97.9(15) . . ?
C45 P3 C41 116.8(19) . . ?
C45 P3 C49 115(2) . . ?
C41 P3 C49 97.9(16) . . ?
C45 P3 C37 122.5(16) . . ?
C41 P3 C37 104(2) . . ?
C49 P3 C37 96.5(12) . . ?
C6 C5 P1 120.0(17) . . ?
C6 C5 H5A 107.3 . . ?
P1 C5 H5A 107.3 . . ?
C6 C5 H5B 107.3 . . ?
P1 C5 H5B 107.3 . . ?
H5A C5 H5B 106.9 . . ?
C5 C6 C7 110.2(17) . . ?
C5 C6 H6A 109.6 . . ?
C7 C6 H6A 109.6 . . ?
C5 C6 H6B 109.6 . . ?
C7 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
C8 C7 C6 112.7(18) . . ?
C8 C7 H7A 109.0 . . ?
C6 C7 H7A 109.0 . . ?
C8 C7 H7B 109.0 . . ?
C6 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
Ni4 Sb7 Ni2 100.95(13) . . ?
Ni4 Sb7 Sb9 55.30(10) . . ?
Ni2 Sb7 Sb9 61.11(10) . . ?
Ni4 Sb7 Sb6 56.71(11) . . ?
Ni2 Sb7 Sb6 103.76(10) . . ?
Sb9 Sb7 Sb6 103.37(9) . . ?
Ni4 Sb7 Sb5 101.11(12) . . ?
Ni2 Sb7 Sb5 55.23(9) . . ?
Sb9 Sb7 Sb5 103.86(8) . . ?
Sb6 Sb7 Sb5 60.40(7) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Ni5 Sb8 Ni4 64.69(13) . . ?
Ni5 Sb8 Ni3 101.17(13) . . ?
Ni4 Sb8 Ni3 97.40(14) . . ?
Ni5 Sb8 Sb10 59.86(11) . . ?
Ni4 Sb8 Sb10 108.45(12) . . ?
Ni3 Sb8 Sb10 56.35(10) . . ?
Ni5 Sb8 Sb6 109.15(12) . . ?
Ni4 Sb8 Sb6 57.17(12) . . ?
Ni3 Sb8 Sb6 54.44(11) . . ?
Sb10 Sb8 Sb6 104.36(9) . . ?
C10 C9 P1 114.8(15) . . ?
C10 C9 H9A 108.6 . . ?
P1 C9 H9A 108.6 . . ?
C10 C9 H9B 108.6 . . ?
P1 C9 H9B 108.6 . . ?
H9A C9 H9B 107.5 . . ?
Ni5 Sb9 Ni4 64.81(13) . . ?
Ni5 Sb9 Ni2 101.23(13) . . ?
Ni4 Sb9 Ni2 97.37(13) . . ?
Ni5 Sb9 Sb11 59.78(10) . . ?
Ni4 Sb9 Sb11 108.59(12) . . ?
Ni2 Sb9 Sb11 56.57(9) . . ?
Ni5 Sb9 Sb7 109.20(12) . . ?
Ni4 Sb9 Sb7 56.63(11) . . ?
Ni2 Sb9 Sb7 55.15(9) . . ?
Sb11 Sb9 Sb7 105.22(8) . . ?
C11 C10 C9 112.2(17) . . ?
C11 C10 H10A 109.2 . . ?
C9 C10 H10A 109.2 . . ?
C11 C10 H10B 109.2 . . ?
C9 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
Ni1 Sb10 Ni3 59.20(11) . . ?
Ni1 Sb10 Ni5 99.71(12) . . ?
Ni3 Sb10 Ni5 100.87(13) . . ?
Ni1 Sb10 Sb8 105.94(10) . . ?
Ni3 Sb10 Sb8 61.42(11) . . ?
Ni5 Sb10 Sb8 54.31(10) . . ?
Ni1 Sb10 Sb11 56.88(9) . . ?
Ni3 Sb10 Sb11 104.79(10) . . ?
Ni5 Sb10 Sb11 58.00(10) . . ?
Sb8 Sb10 Sb11 104.03(9) . . ?
C12 C11 C10 114.3(18) . . ?
C12 C11 H11A 108.7 . . ?
C10 C11 H11A 108.7 . . ?
C12 C11 H11B 108.7 . . ?
C10 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
Ni1 Sb11 Ni2 59.35(10) . . ?
Ni1 Sb11 Ni5 99.20(12) . . ?
Ni2 Sb11 Ni5 100.23(12) . . ?
Ni1 Sb11 Sb9 105.47(10) . . ?
Ni2 Sb11 Sb9 60.96(9) . . ?
Ni5 Sb11 Sb9 53.99(9) . . ?
Ni1 Sb11 Sb10 56.25(9) . . ?
Ni2 Sb11 Sb10 104.12(10) . . ?
Ni5 Sb11 Sb10 57.96(10) . . ?
Sb9 Sb11 Sb10 103.44(9) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 P1 117.6(15) . . ?
C14 C13 H13A 107.9 . . ?
P1 C13 H13A 107.9 . . ?
C14 C13 H13B 107.9 . . ?
P1 C13 H13B 107.9 . . ?
H13A C13 H13B 107.2 . . ?
C13 C14 C15 112.4(16) . . ?
C13 C14 H14A 109.1 . . ?
C15 C14 H14A 109.1 . . ?
C13 C14 H14B 109.1 . . ?
C15 C14 H14B 109.1 . . ?
H14A C14 H14B 107.9 . . ?
C16 C15 C14 106.5(16) . . ?
C16 C15 H15A 110.4 . . ?
C14 C15 H15A 110.4 . . ?
C16 C15 H15B 110.4 . . ?
C14 C15 H15B 110.4 . . ?
H15A C15 H15B 108.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 P1 116.6(17) . . ?
C18 C17 H17A 108.1 . . ?
P1 C17 H17A 108.1 . . ?
C18 C17 H17B 108.1 . . ?
P1 C17 H17B 108.1 . . ?
H17A C17 H17B 107.3 . . ?
C17 C18 C19 112.5(18) . . ?
C17 C18 H18A 109.1 . . ?
C19 C18 H18A 109.1 . . ?
C17 C18 H18B 109.1 . . ?
C19 C18 H18B 109.1 . . ?
H18A C18 H18B 107.8 . . ?
C20 C19 C18 113.8(19) . . ?
C20 C19 H19A 108.8 . . ?
C18 C19 H19A 108.8 . . ?
C20 C19 H19B 108.8 . . ?
C18 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 P2 117.9(19) . . ?
C22 C21 H21A 107.8 . . ?
P2 C21 H21A 107.8 . . ?
C22 C21 H21B 107.8 . . ?
P2 C21 H21B 107.8 . . ?
H21A C21 H21B 107.2 . . ?
C21 C22 C23 112(2) . . ?
C21 C22 H22A 109.1 . . ?
C23 C22 H22A 109.1 . . ?
C21 C22 H22B 109.1 . . ?
C23 C22 H22B 109.1 . . ?
H22A C22 H22B 107.9 . . ?
C24 C23 C22 114(2) . . ?
C24 C23 H23A 108.8 . . ?
C22 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
C22 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 P2 115.0(17) . . ?
C26 C25 H25A 108.5 . . ?
P2 C25 H25A 108.5 . . ?
C26 C25 H25B 108.5 . . ?
P2 C25 H25B 108.5 . . ?
H25A C25 H25B 107.5 . . ?
C25 C26 C27 110.4(18) . . ?
C25 C26 H26A 109.6 . . ?
C27 C26 H26A 109.6 . . ?
C25 C26 H26B 109.6 . . ?
C27 C26 H26B 109.6 . . ?
H26A C26 H26B 108.1 . . ?
C28 C27 C26 110.6(19) . . ?
C28 C27 H27A 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 108.1 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 P2 113.0(17) . . ?
C30 C29 H29A 109.0 . . ?
P2 C29 H29A 109.0 . . ?
C30 C29 H29B 109.0 . . ?
P2 C29 H29B 109.0 . . ?
H29A C29 H29B 107.8 . . ?
C29 C30 C31 110.4(18) . . ?
C29 C30 H30A 109.6 . . ?
C31 C30 H30A 109.6 . . ?
C29 C30 H30B 109.6 . . ?
C31 C30 H30B 109.6 . . ?
H30A C30 H30B 108.1 . . ?
C32 C31 C30 109.7(19) . . ?
C32 C31 H31A 109.7 . . ?
C30 C31 H31A 109.7 . . ?
C32 C31 H31B 109.7 . . ?
C30 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 P2 112.4(14) . . ?
C34 C33 H33A 109.1 . . ?
P2 C33 H33A 109.1 . . ?
C34 C33 H33B 109.1 . . ?
P2 C33 H33B 109.1 . . ?
H33A C33 H33B 107.9 . . ?
C33 C34 C35 108.6(17) . . ?
C33 C34 H34A 110.0 . . ?
C35 C34 H34A 110.0 . . ?
C33 C34 H34B 110.0 . . ?
C35 C34 H34B 110.0 . . ?
H34A C34 H34B 108.3 . . ?
C36 C35 C34 106.1(17) . . ?
C36 C35 H35A 110.5 . . ?
C34 C35 H35A 110.5 . . ?
C36 C35 H35B 110.5 . . ?
C34 C35 H35B 110.5 . . ?
H35A C35 H35B 108.7 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 P3 111.6(17) . . ?
C38 C37 H37A 109.3 . . ?
P3 C37 H37A 109.3 . . ?
C38 C37 H37B 109.3 . . ?
P3 C37 H37B 109.3 . . ?
H37A C37 H37B 108.0 . . ?
C37 C38 C39 110.9(18) . . ?
C37 C38 H38A 109.5 . . ?
C39 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C39 C38 H38B 109.5 . . ?
H38A C38 H38B 108.1 . . ?
C40 C39 C38 105.5(17) . . ?
C40 C39 H39A 110.6 . . ?
C38 C39 H39A 110.6 . . ?
C40 C39 H39B 110.6 . . ?
C38 C39 H39B 110.6 . . ?
H39A C39 H39B 108.8 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 P3 116.1(18) . . ?
C42 C41 H41A 108.3 . . ?
P3 C41 H41A 108.3 . . ?
C42 C41 H41B 108.3 . . ?
P3 C41 H41B 108.3 . . ?
H41A C41 H41B 107.4 . . ?
C41 C42 C43 107.7(18) . . ?
C41 C42 H42A 110.2 . . ?
C43 C42 H42A 110.2 . . ?
C41 C42 H42B 110.2 . . ?
C43 C42 H42B 110.2 . . ?
H42A C42 H42B 108.5 . . ?
C44 C43 C42 109.4(18) . . ?
C44 C43 H43A 109.8 . . ?
C42 C43 H43A 109.8 . . ?
C44 C43 H43B 109.8 . . ?
C42 C43 H43B 109.8 . . ?
H43A C43 H43B 108.2 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 P3 113.3(17) . . ?
C46 C45 H45A 108.9 . . ?
P3 C45 H45A 108.9 . . ?
C46 C45 H45B 108.9 . . ?
P3 C45 H45B 108.9 . . ?
H45A C45 H45B 107.7 . . ?
C47 C46 C45 107.3(18) . . ?
C47 C46 H46A 110.3 . . ?
C45 C46 H46A 110.3 . . ?
C47 C46 H46B 110.3 . . ?
C45 C46 H46B 110.3 . . ?
H46A C46 H46B 108.5 . . ?
C48 C47 C46 115.3(16) . . ?
C48 C47 H47A 108.4 . . ?
C46 C47 H47A 108.4 . . ?
C48 C47 H47B 108.4 . . ?
C46 C47 H47B 108.4 . . ?
H47A C47 H47B 107.5 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 P3 118.0(18) . . ?
C50 C49 H49A 107.8 . . ?
P3 C49 H49A 107.8 . . ?
C50 C49 H49B 107.8 . . ?
P3 C49 H49B 107.8 . . ?
H49A C49 H49B 107.2 . . ?
C49 C50 C51 110.6(19) . . ?
C49 C50 H50A 109.5 . . ?
C51 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C51 C50 H50B 109.5 . . ?
H50A C50 H50B 108.1 . . ?
C52 C51 C50 111.7(19) . . ?
C52 C51 H51A 109.3 . . ?
C50 C51 H51A 109.3 . . ?
C52 C51 H51B 109.3 . . ?
C50 C51 H51B 109.3 . . ?
H51A C51 H51B 107.9 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?

_refine_diff_density_max         2.298
_refine_diff_density_min         -0.764
_refine_diff_density_rms         0.149

####################################################################### 
# 
# 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_x_sq
_database_code_depnum_ccdc_archive 'CCDC 2060644'
loop_
_audit_author_name
_audit_author_address
'Lin lifang'
;fujian institute of research on the structure of matter
China
;
_audit_update_record             
;
2021-04-15 deposited with the CCDC.	2021-09-23 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            'C100 H176 K6 N6 Ni10 O44 Sb22'
_chemical_formula_weight         5666.66

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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   27.642(15)
_cell_length_b                   40.58(2)
_cell_length_c                   18.232(12)
_cell_angle_alpha                90
_cell_angle_beta                 106.14(2)
_cell_angle_gamma                90
_cell_volume                     19646(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8467
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      19.00

_exptl_crystal_description       sheet
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.916
_exptl_crystal_F_000             10744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    4.081
_shelx_estimated_absorpt_T_min   0.580
_shelx_estimated_absorpt_T_max   0.887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0233
_exptl_absorpt_correction_T_max  0.0365
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(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            73525
_diffrn_reflns_av_unetI/netI     0.0790
_diffrn_reflns_av_R_equivalents  0.1005
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.225
_diffrn_reflns_theta_max         19.164
_diffrn_reflns_theta_full        19.164
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             16078
_reflns_number_gt                9478
_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.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.500 1.000 1654 540 ' '
2 0.500 1.000 0.500 1653 542 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
The unit cell contains 8 ethylenediamine solvates which have been treated as 
a diffuse contribution to the overall scattering without specific atom 
positions by SQUEEZE/PLATON. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_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)+(0.0539P)²+1207.4010P] 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         16078
_refine_ls_number_parameters     1672
_refine_ls_number_restraints     1836
_refine_ls_R_factor_all          0.1416
_refine_ls_R_factor_gt           0.0876
_refine_ls_wR_factor_ref         0.2379
_refine_ls_wR_factor_gt          0.2065
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      0.995
_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
Sb1 Sb 0.81499(10) 0.50589(6) 0.73166(15) 0.0794(8) Uani 1 1 d . . . . .
O1 O 0.8303(11) 0.6031(8) 0.3980(13) 0.124(10) Uani 1 1 d D U . . .
C1 C 0.8140(15) 0.6056(10) 0.4503(17) 0.100(12) Uani 1 1 d D U . . .
Sb2 Sb 0.74014(10) 0.55432(6) 0.73554(15) 0.0748(8) Uani 1 1 d . . . . .
O2 O 0.7986(12) 0.6087(8) 0.9180(9) 0.124(10) Uani 1 1 d D U . . .
C2 C 0.7898(15) 0.6113(10) 0.8521(10) 0.089(11) Uani 1 1 d D U . . .
Sb3 Sb 0.67271(9) 0.54069(6) 0.58545(16) 0.0750(8) Uani 1 1 d . . . . .
O3 O 0.8355(11) 0.7664(4) 0.6581(17) 0.123(10) Uani 1 1 d D U . . .
C3 C 0.8218(14) 0.7392(5) 0.654(2) 0.086(11) Uani 1 1 d D U . . .
Sb4 Sb 0.74749(10) 0.55394(6) 0.50467(15) 0.0739(8) Uani 1 1 d . . . . .
C4 C 0.6489(10) 0.7103(8) 0.567(2) 0.081(11) Uani 1 1 d D U . . .
O4 O 0.6138(9) 0.7276(7) 0.5519(17) 0.125(10) Uani 1 1 d D U . . .
Sb5 Sb 0.83266(10) 0.59421(6) 0.66611(16) 0.0743(8) Uani 1 1 d . . . . .
O5 O 0.7841(13) 0.4048(8) 0.9203(10) 0.140(11) Uani 1 1 d D U . . .
C5 C 0.783(2) 0.4030(13) 0.8559(12) 0.137(15) Uani 1 1 d D U . . .
Sb6 Sb 0.84876(10) 0.65743(7) 0.75152(16) 0.0797(8) Uani 1 1 d . . . . .
O6 O 0.8408(12) 0.4151(8) 0.4149(16) 0.142(11) Uani 1 1 d D U . . .
C6 C 0.8177(17) 0.4072(12) 0.457(2) 0.129(15) Uani 1 1 d D U . . .
Sb7 Sb 0.85580(10) 0.65645(7) 0.59632(16) 0.0797(8) Uani 1 1 d . . . . .
O7 O 0.8693(11) 0.2525(5) 0.6797(18) 0.128(10) Uani 1 1 d D U . . .
C7 C 0.8495(15) 0.2782(7) 0.677(3) 0.112(11) Uani 1 1 d D U . . .
Sb8 Sb 0.74766(10) 0.68188(6) 0.73504(16) 0.0790(8) Uani 1 1 d . . . . .
O8 O 0.6288(9) 0.2793(7) 0.5542(18) 0.129(10) Uani 1 1 d D U . . .
C8 C 0.6624(11) 0.2975(8) 0.579(2) 0.097(12) Uani 1 1 d D U . . .
Sb9 Sb 0.75783(10) 0.68045(6) 0.50820(16) 0.0783(8) Uani 1 1 d . . . . .
Sb10 Sb 0.68266(9) 0.62886(6) 0.66673(15) 0.0718(8) Uani 1 1 d . . . . .
Sb11 Sb 0.68914(9) 0.62818(6) 0.51203(15) 0.0726(8) Uani 1 1 d . . . . .
Sb12 Sb 0.81899(9) 0.50572(6) 0.58013(16) 0.0785(8) Uani 1 1 d . . . . .
Sb13 Sb 0.73984(10) 0.45752(6) 0.73652(16) 0.0804(8) Uani 1 1 d . . . . .
Sb14 Sb 0.67147(10) 0.46876(7) 0.58590(17) 0.0831(9) Uani 1 1 d . . . . .
Sb15 Sb 0.74790(10) 0.45671(6) 0.50680(16) 0.0767(8) Uani 1 1 d . . . . .
Sb16 Sb 0.83414(9) 0.42037(6) 0.67555(16) 0.0779(8) Uani 1 1 d . . . . .
Sb17 Sb 0.86586(10) 0.35958(7) 0.61107(19) 0.0912(9) Uani 1 1 d . . . . .
Sb18 Sb 0.85470(10) 0.35802(7) 0.76502(17) 0.0895(9) Uani 1 1 d . . . . .
Sb19 Sb 0.77249(10) 0.33084(7) 0.51949(17) 0.0863(9) Uani 1 1 d . . . . .
Sb20 Sb 0.75698(11) 0.32868(7) 0.74327(17) 0.0871(9) Uani 1 1 d . . . . .
Sb21 Sb 0.69740(9) 0.38005(6) 0.51643(16) 0.0753(8) Uani 1 1 d . . . . .
Sb22 Sb 0.68760(10) 0.37934(6) 0.66993(16) 0.0790(8) Uani 1 1 d . . . . .
Ni1 Ni 0.73892(17) 0.58841(11) 0.6174(3) 0.0684(13) Uani 1 1 d . . . . .
Ni2 Ni 0.78741(18) 0.61344(11) 0.5256(3) 0.0737(14) Uani 1 1 d D . . . .
Ni3 Ni 0.77669(18) 0.61496(12) 0.7526(3) 0.0748(14) Uani 1 1 d D . . . .
Ni4 Ni 0.80036(18) 0.69847(11) 0.6457(3) 0.0754(14) Uani 1 1 d D . . . .
Ni5 Ni 0.69982(18) 0.68325(12) 0.5943(3) 0.0784(15) Uani 1 1 d D . . . .
Ni6 Ni 0.74041(17) 0.42221(11) 0.6204(3) 0.0719(14) Uani 1 1 d . . . . .
Ni7 Ni 0.77705(19) 0.39720(12) 0.7582(3) 0.0816(15) Uani 1 1 d D . . . .
Ni8 Ni 0.79382(18) 0.39908(12) 0.5351(3) 0.0779(15) Uani 1 1 d D . . . .
Ni9 Ni 0.81446(19) 0.31481(12) 0.6590(3) 0.0887(16) Uani 1 1 d D . . . .
Ni10 Ni 0.71252(17) 0.32554(12) 0.6019(3) 0.0775(14) Uani 1 1 d D . . . .
K1 K 0.4905(4) 0.5001(3) 0.7667(7) 0.129(4) Uani 1 1 d . . . . .
K2 K 0.0559(4) 0.2611(3) 0.0438(8) 0.138(4) Uani 1 1 d . . . . .
K3 K 0.4910(4) 0.7499(3) 0.2456(8) 0.146(5) Uani 1 1 d . . . . .
K4 K 0.8456(5) 0.1831(3) 0.6808(7) 0.147(5) Uani 1 1 d . . . . .
K5 K 0.6667(7) 0.6318(3) 1.0896(6) 0.189(7) Uani 1 1 d . . . . .
K6 K 0.000000 0.500000 0.500000 0.101(4) Uani 1 2 d S . P . .
K7 K 1.000000 0.500000 1.000000 0.117(5) Uani 1 2 d S . P . .
O9 O 0.5855(14) 0.5288(10) 0.783(2) 0.153(9) Uani 1 1 d . U . . .
O10 O 0.5771(14) 0.4585(9) 0.801(2) 0.152(9) Uani 1 1 d . U . . .
O11 O 0.4887(14) 0.4407(9) 0.695(2) 0.147(9) Uani 1 1 d . U . . .
O12 O 0.3955(13) 0.4733(9) 0.690(2) 0.146(9) Uani 1 1 d . U . . .
O13 O 0.4059(13) 0.5429(8) 0.716(2) 0.137(9) Uani 1 1 d . U . . .
O14 O 0.4990(15) 0.5586(9) 0.696(2) 0.151(9) Uani 1 1 d . U . . .
O15 O 0.1360(10) 0.2203(7) 0.0928(15) 0.101(7) Uani 1 1 d . U . . .
O16 O 0.0437(12) 0.1982(7) 0.1023(17) 0.120(8) Uani 1 1 d . U . . .
O17 O -0.0400(12) 0.2357(8) 0.0165(18) 0.130(8) Uani 1 1 d . U . . .
O18 O -0.0291(12) 0.3005(8) -0.0224(19) 0.130(8) Uani 1 1 d . U . . .
O19 O 0.0698(11) 0.3202(7) -0.0315(16) 0.107(7) Uani 1 1 d . U . . .
O20 O 0.1489(10) 0.2858(7) 0.0617(16) 0.100(7) Uani 1 1 d . U . . .
O21 O 0.5839(16) 0.7835(11) 0.271(2) 0.168(10) Uani 1 1 d . U . . .
O22 O 0.5828(16) 0.7128(11) 0.312(2) 0.172(10) Uani 1 1 d D U . . .
O23 O 0.4876(17) 0.6895(10) 0.305(2) 0.174(10) Uani 1 1 d . U . . .
O24 O 0.4002(16) 0.7157(11) 0.213(2) 0.172(10) Uani 1 1 d . U . . .
O25 O 0.3990(16) 0.7832(11) 0.181(2) 0.178(10) Uani 1 1 d . U . . .
O26 O 0.4926(18) 0.8110(10) 0.174(2) 0.181(11) Uani 1 1 d D U . . .
O27 O 0.7615(12) 0.2006(8) 0.551(2) 0.137(9) Uani 1 1 d . U . . .
O28 O 0.8535(13) 0.1735(8) 0.5350(19) 0.140(9) Uani 1 1 d . U . . .
O29 O 0.9158(14) 0.1376(9) 0.660(2) 0.160(10) Uani 1 1 d . U . . .
O30 O 0.9199(14) 0.1572(10) 0.806(2) 0.160(10) Uani 1 1 d . U . . .
O31 O 0.8338(14) 0.1900(9) 0.825(2) 0.149(9) Uani 1 1 d . U . . .
O32 O 0.7683(14) 0.2180(9) 0.702(2) 0.144(9) Uani 1 1 d . U . . .
O33 O 0.6986(16) 0.6974(11) 1.115(3) 0.198(12) Uani 1 1 d D U . . .
O34 O 0.7138(18) 0.6587(12) 1.242(3) 0.215(12) Uani 1 1 d D U . . .
O35 O 0.6799(18) 0.5929(11) 1.223(3) 0.223(12) Uani 1 1 d D U . . .
O36 O 0.666(2) 0.5617(14) 1.075(4) 0.256(14) Uani 1 1 d D U . . .
O37 O 0.648(2) 0.6028(16) 0.941(3) 0.251(13) Uani 1 1 d . U . . .
O38 O 0.690(2) 0.6674(13) 0.969(3) 0.224(12) Uani 1 1 d D U . . .
O39 O 0.0095(9) 0.5564(6) 0.4177(13) 0.080(6) Uani 1 1 d . U . . .
O40 O 0.0427(9) 0.4950(7) 0.3841(15) 0.098(7) Uani 1 1 d . U . . .
O41 O 0.0151(10) 0.4347(7) 0.4468(16) 0.100(7) Uani 1 1 d . U . . .
O42 O 0.9851(17) 0.5281(12) 1.133(2) 0.192(13) Uani 1 1 d D U . . .
O43 O 0.9159(16) 0.4840(11) 1.051(3) 0.188(11) Uani 1 1 d . U . . .
O44 O 0.9455(17) 0.4449(10) 0.940(3) 0.184(11) Uani 1 1 d . U . . .
N1 N 0.107(2) 0.5100(16) 0.589(4) 0.26(2) Uani 1 1 d D U . . .
H1A H 0.125728 0.514178 0.557479 0.317 Uiso 1 1 calc R U . . .
H1B H 0.109435 0.526681 0.621060 0.317 Uiso 1 1 calc R U . . .
N2 N 0.213(2) 0.5023(15) 0.671(4) 0.26(2) Uani 1 1 d D U . . .
H2A H 0.209723 0.510017 0.625490 0.310 Uiso 1 1 calc R U . . .
H2B H 0.241435 0.504870 0.705270 0.310 Uiso 1 1 calc R U . . .
N3 N 1.0883(17) 0.4656(11) 1.078(3) 0.175(14) Uani 1 1 d D U . . .
H3A H 1.111411 0.470994 1.054887 0.210 Uiso 1 1 calc R U . . .
H3B H 1.098290 0.474754 1.124548 0.210 Uiso 1 1 calc R U . . .
N4 N 1.0362(17) 0.4330(11) 1.172(3) 0.174(16) Uani 1 1 d D U . . .
H4A H 1.056963 0.447480 1.197438 0.209 Uiso 1 1 calc R U . . .
H4B H 1.010256 0.427590 1.187117 0.209 Uiso 1 1 calc R U . . .
N5 N 0.0566(19) 0.2381(13) -0.111(3) 0.197(16) Uani 1 1 d D U . . .
H5C H 0.076142 0.252145 -0.126817 0.236 Uiso 1 1 calc R U . . .
H5D H 0.072782 0.218877 -0.103762 0.236 Uiso 1 1 calc R U . . .
N6 N 0.055(2) 0.2340(14) -0.293(3) 0.213(17) Uani 1 1 d D U . . .
H6A H 0.078724 0.219023 -0.274108 0.255 Uiso 1 1 calc R U . . .
H6B H 0.068383 0.253118 -0.273510 0.255 Uiso 1 1 calc R U . . .
C9 C 0.623(2) 0.5069(12) 0.791(3) 0.154(11) Uani 1 1 d D U . . .
H9A H 0.654838 0.518272 0.813436 0.185 Uiso 1 1 calc R U . . .
H9B H 0.623537 0.499556 0.740842 0.185 Uiso 1 1 calc R U . . .
C10 C 0.622(2) 0.4760(12) 0.840(3) 0.155(11) Uani 1 1 d D U . . .
H10A H 0.651558 0.462500 0.845001 0.186 Uiso 1 1 calc R U . . .
H10B H 0.620671 0.482329 0.891229 0.186 Uiso 1 1 calc R U . . .
C11 C 0.5767(18) 0.4401(13) 0.740(3) 0.151(11) Uani 1 1 d D U . . .
H11A H 0.606043 0.425877 0.751416 0.181 Uiso 1 1 calc R U . . .
H11B H 0.576962 0.453981 0.697226 0.181 Uiso 1 1 calc R U . . .
C12 C 0.5279(18) 0.4192(13) 0.722(3) 0.149(10) Uani 1 1 d D U . . .
H12A H 0.528294 0.402678 0.684078 0.179 Uiso 1 1 calc R U . . .
H12B H 0.524781 0.408225 0.767990 0.179 Uiso 1 1 calc R U . . .
C13 C 0.4431(18) 0.4217(12) 0.685(3) 0.145(10) Uani 1 1 d D U . . .
H13A H 0.437985 0.415052 0.733243 0.174 Uiso 1 1 calc R U . . .
H13B H 0.443176 0.402284 0.653733 0.174 Uiso 1 1 calc R U . . .
C14 C 0.4030(18) 0.4470(12) 0.643(3) 0.150(10) Uani 1 1 d D U . . .
H14A H 0.413006 0.455958 0.600086 0.180 Uiso 1 1 calc R U . . .
H14B H 0.371198 0.435575 0.622602 0.180 Uiso 1 1 calc R U . . .
C15 C 0.357(2) 0.4956(11) 0.653(3) 0.145(10) Uani 1 1 d D U . . .
H15A H 0.324119 0.485005 0.643782 0.174 Uiso 1 1 calc R U . . .
H15B H 0.361195 0.502687 0.604698 0.174 Uiso 1 1 calc R U . . .
C16 C 0.360(2) 0.5254(11) 0.707(3) 0.145(10) Uani 1 1 d D U . . .
H16A H 0.331876 0.540102 0.686292 0.174 Uiso 1 1 calc R U . . .
H16B H 0.357879 0.517813 0.756565 0.174 Uiso 1 1 calc R U . . .
C17 C 0.4103(17) 0.5597(12) 0.649(3) 0.145(10) Uani 1 1 d D U . . .
H17A H 0.381512 0.573821 0.628381 0.175 Uiso 1 1 calc R U . . .
H17B H 0.413607 0.544194 0.610484 0.175 Uiso 1 1 calc R U . . .
C18 C 0.4591(17) 0.5801(13) 0.680(3) 0.149(10) Uani 1 1 d D U . . .
H18A H 0.462491 0.596021 0.642431 0.179 Uiso 1 1 calc R U . . .
H18B H 0.458000 0.591833 0.726117 0.179 Uiso 1 1 calc R U . . .
C19 C 0.5440(18) 0.5784(12) 0.722(3) 0.153(11) Uani 1 1 d D U . . .
H19A H 0.547276 0.587881 0.771705 0.183 Uiso 1 1 calc R U . . .
H19B H 0.544867 0.595797 0.685693 0.183 Uiso 1 1 calc R U . . .
C20 C 0.5847(19) 0.5520(12) 0.724(3) 0.151(10) Uani 1 1 d D U . . .
H20A H 0.577557 0.540692 0.675535 0.181 Uiso 1 1 calc R U . . .
H20B H 0.617456 0.562442 0.733698 0.181 Uiso 1 1 calc R U . . .
C21 C 0.1335(13) 0.1910(10) 0.134(2) 0.104(9) Uani 1 1 d D U . . .
H21A H 0.137105 0.196103 0.187452 0.125 Uiso 1 1 calc R U . . .
H21B H 0.160172 0.175991 0.131339 0.125 Uiso 1 1 calc R U . . .
C22 C 0.0813(13) 0.1754(11) 0.097(3) 0.116(9) Uani 1 1 d D U . . .
H22A H 0.078061 0.170189 0.044055 0.139 Uiso 1 1 calc R U . . .
H22B H 0.077730 0.155173 0.123470 0.139 Uiso 1 1 calc R U . . .
C23 C -0.0056(16) 0.1831(10) 0.066(3) 0.125(9) Uani 1 1 d D U . . .
H23A H -0.010893 0.163921 0.094613 0.150 Uiso 1 1 calc R U . . .
H23B H -0.007648 0.176331 0.014167 0.150 Uiso 1 1 calc R U . . .
C24 C -0.0453(16) 0.2100(11) 0.066(3) 0.127(9) Uani 1 1 d D U . . .
H24A H -0.078860 0.200713 0.049177 0.153 Uiso 1 1 calc R U . . .
H24B H -0.040198 0.218507 0.117461 0.153 Uiso 1 1 calc R U . . .
C25 C -0.0813(19) 0.2599(12) 0.008(3) 0.135(10) Uani 1 1 d D U . . .
H25A H -0.076647 0.273420 0.053710 0.162 Uiso 1 1 calc R U . . .
H25B H -0.114021 0.249393 -0.003771 0.162 Uiso 1 1 calc R U . . .
C26 C -0.0737(19) 0.2800(12) -0.060(3) 0.144(10) Uani 1 1 d D U . . .
H26A H -0.066920 0.265652 -0.098506 0.172 Uiso 1 1 calc R U . . .
H26B H -0.102891 0.293511 -0.083021 0.172 Uiso 1 1 calc R U . . .
C27 C -0.0174(15) 0.3218(11) -0.077(3) 0.125(9) Uani 1 1 d D U . . .
H27A H -0.045722 0.336324 -0.097839 0.150 Uiso 1 1 calc R U . . .
H27B H -0.011512 0.308886 -0.118102 0.150 Uiso 1 1 calc R U . . .
C28 C 0.0300(14) 0.3427(10) -0.039(3) 0.114(9) Uani 1 1 d D U . . .
H28A H 0.033098 0.360996 -0.071923 0.137 Uiso 1 1 calc R U . . .
H28B H 0.028857 0.351122 0.009876 0.137 Uiso 1 1 calc R U . . .
C29 C 0.1125(14) 0.3375(9) 0.007(2) 0.106(9) Uani 1 1 d D U . . .
H29A H 0.109307 0.345638 0.055885 0.127 Uiso 1 1 calc R U . . .
H29B H 0.118383 0.356069 -0.022653 0.127 Uiso 1 1 calc R U . . .
C30 C 0.1557(14) 0.3121(9) 0.020(2) 0.102(9) Uani 1 1 d D U . . .
H30A H 0.157994 0.304448 -0.029614 0.122 Uiso 1 1 calc R U . . .
H30B H 0.187260 0.322764 0.045288 0.122 Uiso 1 1 calc R U . . .
C31 C 0.1886(16) 0.2640(9) 0.071(2) 0.104(9) Uani 1 1 d D U . . .
H31A H 0.220314 0.275084 0.093504 0.125 Uiso 1 1 calc R U . . .
H31B H 0.189314 0.255039 0.021859 0.125 Uiso 1 1 calc R U . . .
C32 C 0.1804(16) 0.2361(9) 0.124(2) 0.106(9) Uani 1 1 d D U . . .
H32A H 0.207907 0.220392 0.132258 0.127 Uiso 1 1 calc R U . . .
H32B H 0.180380 0.245255 0.173055 0.127 Uiso 1 1 calc R U . . .
C33 C 0.620(2) 0.7643(14) 0.281(3) 0.172(11) Uani 1 1 d D U . . .
H33A H 0.650446 0.776849 0.301194 0.206 Uiso 1 1 calc R U . . .
H33B H 0.620555 0.755531 0.232112 0.206 Uiso 1 1 calc R U . . .
C34 C 0.621(2) 0.7348(14) 0.336(3) 0.174(11) Uani 1 1 d D U . . .
H34A H 0.652518 0.723334 0.343142 0.209 Uiso 1 1 calc R U . . .
H34B H 0.619701 0.743389 0.384846 0.209 Uiso 1 1 calc R U . . .
C35 C 0.576(2) 0.6928(13) 0.363(3) 0.174(11) Uani 1 1 d D U . . .
H35A H 0.571359 0.705200 0.406071 0.209 Uiso 1 1 calc R U . . .
H35B H 0.605324 0.678779 0.381297 0.209 Uiso 1 1 calc R U . . .
C36 C 0.529(2) 0.6713(14) 0.328(3) 0.177(11) Uani 1 1 d D U . . .
H36A H 0.533753 0.658853 0.285509 0.213 Uiso 1 1 calc R U . . .
H36B H 0.524573 0.655648 0.366362 0.213 Uiso 1 1 calc R U . . .
C37 C 0.443(2) 0.6719(14) 0.277(4) 0.174(11) Uani 1 1 d D U . . .
H37A H 0.440707 0.654014 0.311355 0.209 Uiso 1 1 calc R U . . .
H37B H 0.440740 0.662683 0.227112 0.209 Uiso 1 1 calc R U . . .
C38 C 0.399(2) 0.6968(14) 0.271(4) 0.175(11) Uani 1 1 d D U . . .
H38A H 0.367320 0.685510 0.262302 0.210 Uiso 1 1 calc R U . . .
H38B H 0.405214 0.709643 0.317848 0.210 Uiso 1 1 calc R U . . .
C39 C 0.359(2) 0.7360(14) 0.200(3) 0.178(11) Uani 1 1 d D U . . .
H39A H 0.357905 0.746314 0.247626 0.213 Uiso 1 1 calc R U . . .
H39B H 0.328339 0.722809 0.182107 0.213 Uiso 1 1 calc R U . . .
C40 C 0.359(2) 0.7629(14) 0.140(3) 0.182(12) Uani 1 1 d D U . . .
H40A H 0.366123 0.753578 0.095245 0.218 Uiso 1 1 calc R U . . .
H40B H 0.327695 0.774833 0.125475 0.218 Uiso 1 1 calc R U . . .
C41 C 0.404(2) 0.8069(15) 0.128(4) 0.184(12) Uani 1 1 d D U . . .
H41A H 0.374339 0.821023 0.115009 0.221 Uiso 1 1 calc R U . . .
H41B H 0.407070 0.796456 0.081975 0.221 Uiso 1 1 calc R U . . .
C42 C 0.4515(18) 0.8274(14) 0.166(4) 0.185(12) Uani 1 1 d D U . . .
H42A H 0.452110 0.846617 0.134267 0.222 Uiso 1 1 calc R U . . .
H42B H 0.449650 0.835078 0.215192 0.222 Uiso 1 1 calc R U . . .
C43 C 0.529(2) 0.8303(15) 0.199(4) 0.181(12) Uani 1 1 d D U . . .
H43A H 0.526247 0.840969 0.245292 0.217 Uiso 1 1 calc R U . . .
H43B H 0.529045 0.847160 0.161208 0.217 Uiso 1 1 calc R U . . .
C44 C 0.577(2) 0.8090(14) 0.215(3) 0.169(11) Uani 1 1 d D U . . .
H44A H 0.577842 0.798944 0.166958 0.203 Uiso 1 1 calc R U . . .
H44B H 0.605619 0.823686 0.230167 0.203 Uiso 1 1 calc R U . . .
C45 C 0.7818(19) 0.2056(11) 0.492(3) 0.140(10) Uani 1 1 d D U . . .
H45A H 0.807694 0.222466 0.506255 0.168 Uiso 1 1 calc R U . . .
H45B H 0.755909 0.213429 0.448096 0.168 Uiso 1 1 calc R U . . .
C46 C 0.8051(18) 0.1735(11) 0.471(3) 0.140(10) Uani 1 1 d D U . . .
H46A H 0.784451 0.154386 0.473367 0.168 Uiso 1 1 calc R U . . .
H46B H 0.811139 0.174833 0.421477 0.168 Uiso 1 1 calc R U . . .
C47 C 0.8821(18) 0.1427(13) 0.529(3) 0.147(10) Uani 1 1 d D U . . .
H47A H 0.889326 0.141740 0.480295 0.177 Uiso 1 1 calc R U . . .
H47B H 0.862597 0.123451 0.534539 0.177 Uiso 1 1 calc R U . . .
C48 C 0.9317(18) 0.1440(14) 0.595(3) 0.157(11) Uani 1 1 d D U . . .
H48A H 0.955301 0.127362 0.588120 0.189 Uiso 1 1 calc R U . . .
H48B H 0.947463 0.165502 0.598020 0.189 Uiso 1 1 calc R U . . .
C49 C 0.959(2) 0.1341(14) 0.723(3) 0.164(11) Uani 1 1 d D U . . .
H49A H 0.978559 0.154020 0.728403 0.197 Uiso 1 1 calc R U . . .
H49B H 0.978911 0.116080 0.713364 0.197 Uiso 1 1 calc R U . . .
C50 C 0.947(2) 0.1274(14) 0.800(3) 0.164(11) Uani 1 1 d D U . . .
H50A H 0.925915 0.108006 0.798120 0.197 Uiso 1 1 calc R U . . .
H50B H 0.977265 0.125176 0.842267 0.197 Uiso 1 1 calc R U . . .
C51 C 0.901(2) 0.1513(12) 0.874(3) 0.159(11) Uani 1 1 d D U . . .
H51A H 0.927849 0.145286 0.918196 0.191 Uiso 1 1 calc R U . . .
H51B H 0.875600 0.133899 0.863456 0.191 Uiso 1 1 calc R U . . .
C52 C 0.877(2) 0.1847(12) 0.886(3) 0.158(11) Uani 1 1 d D U . . .
H52A H 0.868356 0.184426 0.934113 0.190 Uiso 1 1 calc R U . . .
H52B H 0.901054 0.202360 0.888053 0.190 Uiso 1 1 calc R U . . .
C53 C 0.8151(17) 0.2195(14) 0.833(3) 0.150(11) Uani 1 1 d D U . . .
H53A H 0.837106 0.236560 0.823868 0.180 Uiso 1 1 calc R U . . .
H53B H 0.812370 0.222124 0.884996 0.180 Uiso 1 1 calc R U . . .
C54 C 0.7625(17) 0.2222(13) 0.775(3) 0.149(10) Uani 1 1 d D U . . .
H54A H 0.740241 0.205362 0.785550 0.178 Uiso 1 1 calc R U . . .
H54B H 0.747845 0.243593 0.779439 0.178 Uiso 1 1 calc R U . . .
C55 C 0.725(2) 0.2232(13) 0.650(3) 0.143(10) Uani 1 1 d D U . . .
H55A H 0.708805 0.242623 0.663104 0.172 Uiso 1 1 calc R U . . .
H55B H 0.702741 0.204581 0.648015 0.172 Uiso 1 1 calc R U . . .
C56 C 0.7329(19) 0.2282(13) 0.569(3) 0.143(10) Uani 1 1 d D U . . .
H56A H 0.700520 0.229755 0.531451 0.171 Uiso 1 1 calc R U . . .
H56B H 0.751037 0.248627 0.568591 0.171 Uiso 1 1 calc R U . . .
C57 C 0.715(2) 0.7101(16) 1.190(3) 0.202(11) Uani 1 1 d D U . . .
H57A H 0.703985 0.732608 1.192359 0.243 Uiso 1 1 calc R U . . .
H57B H 0.751922 0.709639 1.208655 0.243 Uiso 1 1 calc R U . . .
C58 C 0.692(2) 0.6868(13) 1.237(4) 0.206(12) Uani 1 1 d D U . . .
H58A H 0.695646 0.695739 1.287832 0.248 Uiso 1 1 calc R U . . .
H58B H 0.655793 0.684316 1.212414 0.248 Uiso 1 1 calc R U . . .
C59 C 0.681(3) 0.6436(13) 1.272(4) 0.224(13) Uani 1 1 d D U . . .
C60 C 0.705(3) 0.6088(11) 1.289(3) 0.226(13) Uani 1 1 d D U . . .
H60A H 0.740965 0.609252 1.295392 0.271 Uiso 1 1 calc R U . . .
H60B H 0.698069 0.598909 1.333125 0.271 Uiso 1 1 calc R U . . .
C61 C 0.699(3) 0.5599(15) 1.215(4) 0.234(14) Uani 1 1 d D U . . .
H61A H 0.698829 0.545656 1.257374 0.281 Uiso 1 1 calc R U . . .
H61B H 0.732302 0.560268 1.206939 0.281 Uiso 1 1 calc R U . . .
C62 C 0.658(3) 0.5506(19) 1.141(4) 0.246(14) Uani 1 1 d D U . . .
C63 C 0.636(3) 0.551(2) 1.012(4) 0.259(14) Uani 1 1 d D U . . .
C64 C 0.663(3) 0.5694(17) 0.960(4) 0.253(14) Uani 1 1 d D U . . .
H64A H 0.699167 0.569269 0.984877 0.304 Uiso 1 1 calc R U . . .
H64B H 0.657936 0.557095 0.912540 0.304 Uiso 1 1 calc R U . . .
C65 C 0.668(3) 0.6228(16) 0.906(5) 0.243(14) Uani 1 1 d D U . . .
H65A H 0.658964 0.615619 0.853490 0.292 Uiso 1 1 calc R U . . .
H65B H 0.703888 0.619948 0.926261 0.292 Uiso 1 1 calc R U . . .
C66 C 0.658(3) 0.6604(16) 0.905(4) 0.236(14) Uani 1 1 d D U . . .
C67 C 0.692(3) 0.6991(13) 0.974(3) 0.212(12) Uani 1 1 d D U . . .
H67A H 0.658898 0.708202 0.949622 0.255 Uiso 1 1 calc R U . . .
H67B H 0.714942 0.707153 0.946054 0.255 Uiso 1 1 calc R U . . .
C68 C 0.710(2) 0.7109(16) 1.057(3) 0.204(12) Uani 1 1 d D U . . .
H68A H 0.746393 0.711121 1.070511 0.244 Uiso 1 1 calc R U . . .
H68B H 0.699428 0.733706 1.056848 0.244 Uiso 1 1 calc R U . . .
C69 C 0.0535(14) 0.5516(9) 0.385(2) 0.093(8) Uani 1 1 d D U . . .
H69A H 0.084140 0.547086 0.424926 0.112 Uiso 1 1 calc R U . . .
H69B H 0.058742 0.571053 0.357033 0.112 Uiso 1 1 calc R U . . .
C70 C 0.0391(15) 0.5217(9) 0.330(2) 0.100(8) Uani 1 1 d D U . . .
H70A H 0.005195 0.523768 0.296556 0.120 Uiso 1 1 calc R U . . .
H70B H 0.062532 0.518784 0.299704 0.120 Uiso 1 1 calc R U . . .
C71 C 0.0388(16) 0.4633(9) 0.345(2) 0.103(8) Uani 1 1 d D U . . .
H71A H 0.061057 0.462844 0.312410 0.123 Uiso 1 1 calc R U . . .
H71B H 0.004603 0.459793 0.314017 0.123 Uiso 1 1 calc R U . . .
C72 C 0.0540(15) 0.4361(9) 0.407(2) 0.101(8) Uani 1 1 d D U . . .
H72A H 0.056620 0.415037 0.383084 0.121 Uiso 1 1 calc R U . . .
H72B H 0.086319 0.441228 0.442358 0.121 Uiso 1 1 calc R U . . .
C73 C 0.0254(15) 0.4107(11) 0.499(2) 0.103(9) Uani 1 1 d D U . . .
H73A H 0.058534 0.413740 0.534208 0.123 Uiso 1 1 calc R U . . .
H73B H 0.024043 0.389302 0.474712 0.123 Uiso 1 1 calc R U . . .
C74 C -0.0164(15) 0.4141(11) 0.540(3) 0.119(11) Uani 1 1 d D U . . .
H74A H -0.049210 0.414251 0.502804 0.143 Uiso 1 1 calc R U . . .
H74B H -0.015080 0.395519 0.573958 0.143 Uiso 1 1 calc R U . . .
C75 C 0.9342(19) 0.5249(14) 1.136(4) 0.193(13) Uani 1 1 d D U . . .
H75A H 0.912484 0.538164 1.096070 0.231 Uiso 1 1 calc R U . . .
H75B H 0.931417 0.533002 1.184800 0.231 Uiso 1 1 calc R U . . .
C76 C 0.917(2) 0.4884(13) 1.126(4) 0.191(12) Uani 1 1 d D U . . .
H76A H 0.940575 0.473814 1.159725 0.229 Uiso 1 1 calc R U . . .
H76B H 0.883648 0.485544 1.133592 0.229 Uiso 1 1 calc R U . . .
C77 C 0.902(2) 0.4485(16) 1.033(3) 0.189(12) Uani 1 1 d D U . . .
H77A H 0.871729 0.442963 1.047969 0.227 Uiso 1 1 calc R U . . .
H77B H 0.928998 0.434054 1.060272 0.227 Uiso 1 1 calc R U . . .
C78 C 0.893(2) 0.4452(16) 0.946(3) 0.191(12) Uani 1 1 d D U . . .
H78A H 0.873764 0.463838 0.918795 0.229 Uiso 1 1 calc R U . . .
H78B H 0.874978 0.424967 0.926517 0.229 Uiso 1 1 calc R U . . .
C79 C 0.9463(19) 0.4376(16) 0.866(4) 0.181(13) Uani 1 1 d D U . . .
H79A H 0.928196 0.454214 0.830436 0.217 Uiso 1 1 calc R U . . .
H79B H 0.931099 0.416282 0.850059 0.217 Uiso 1 1 calc R U . . .
C80 C 1.0028(19) 0.4374(16) 0.868(4) 0.180(15) Uani 1 1 d D U . . .
H80A H 1.023001 0.426934 0.914496 0.216 Uiso 1 1 calc R U . . .
H80B H 1.008045 0.425947 0.824341 0.216 Uiso 1 1 calc R U . . .
C81 C 0.122(3) 0.4801(17) 0.628(4) 0.27(2) Uani 1 1 d D U . . .
H81A H 0.124374 0.462826 0.592951 0.321 Uiso 1 1 calc R U . . .
H81B H 0.096608 0.473362 0.653773 0.321 Uiso 1 1 calc R U . . .
C82 C 0.173(3) 0.485(2) 0.688(4) 0.27(2) Uani 1 1 d D U . . .
H82A H 0.166264 0.496969 0.730742 0.322 Uiso 1 1 calc R U . . .
H82B H 0.185630 0.463845 0.706572 0.322 Uiso 1 1 calc R U . . .
C83 C 1.0932(19) 0.4311(11) 1.091(3) 0.172(14) Uani 1 1 d D U . . .
H83A H 1.122089 0.426521 1.133980 0.206 Uiso 1 1 calc R U . . .
H83B H 1.098382 0.420349 1.046144 0.206 Uiso 1 1 calc R U . . .
C84 C 1.0447(19) 0.4179(14) 1.107(3) 0.169(14) Uani 1 1 d D U . . .
H84A H 1.016117 0.422124 1.063079 0.202 Uiso 1 1 calc R U . . .
H84B H 1.047482 0.394239 1.114634 0.202 Uiso 1 1 calc R U . . .
C85 C 0.013(2) 0.2335(17) -0.173(3) 0.207(15) Uani 1 1 d D U . . .
H85A H -0.008094 0.252714 -0.175019 0.248 Uiso 1 1 calc R U . . .
H85B H -0.005116 0.214844 -0.160265 0.248 Uiso 1 1 calc R U . . .
C86 C 0.018(2) 0.2276(18) -0.254(3) 0.217(16) Uani 1 1 d D U . . .
H86A H 0.012626 0.204151 -0.261244 0.260 Uiso 1 1 calc R U . . .
H86B H -0.011608 0.237965 -0.286415 0.260 Uiso 1 1 calc R U . . .
C87 C 0.5478(10) 0.3978(8) 0.5236(17) 0.119(10) Uani 1 1 d G U . . .
H87A H 0.577856 0.409543 0.538969 0.143 Uiso 1 1 calc R U . . .
C88 C 0.5486(9) 0.3637(8) 0.5186(16) 0.123(10) Uani 1 1 d G U . . .
H88A H 0.579184 0.352524 0.530623 0.147 Uiso 1 1 calc R U . . .
C89 C 0.5037(13) 0.3462(5) 0.4956(17) 0.122(10) Uani 1 1 d G U . . .
H89A H 0.504202 0.323333 0.492269 0.147 Uiso 1 1 calc R U . . .
C90 C 0.4579(10) 0.3629(8) 0.4776(16) 0.112(10) Uani 1 1 d G U . . .
H90A H 0.427892 0.351161 0.462261 0.135 Uiso 1 1 calc R U . . .
C91 C 0.4572(10) 0.3970(8) 0.4826(16) 0.108(9) Uani 1 1 d G U . . .
H91A H 0.426564 0.408179 0.470608 0.130 Uiso 1 1 calc R U . . .
C92 C 0.5021(13) 0.4145(5) 0.5056(18) 0.121(9) Uani 1 1 d DG U . . .
C93 C 0.501(2) 0.4526(6) 0.510(3) 0.159(16) Uani 1 1 d D U . . .
H93A H 0.535349 0.460729 0.527113 0.238 Uiso 1 1 calc R U . . .
H93B H 0.484999 0.461566 0.461024 0.238 Uiso 1 1 calc R U . . .
H93C H 0.483477 0.459235 0.546183 0.238 Uiso 1 1 calc R U . . .
C94 C 0.0996(19) 0.1577(9) 0.311(2) 0.184(13) Uani 1 1 d G U . . .
H94A H 0.110212 0.176838 0.338353 0.221 Uiso 1 1 calc R U . . .
C95 C 0.0487(17) 0.1525(10) 0.276(2) 0.184(13) Uani 1 1 d G U . . .
H95A H 0.025213 0.168288 0.280023 0.221 Uiso 1 1 calc R U . . .
C96 C 0.0329(12) 0.1239(12) 0.234(2) 0.180(13) Uani 1 1 d G U . . .
H96A H -0.001198 0.120472 0.210719 0.216 Uiso 1 1 calc R U . . .
C97 C 0.068(2) 0.1004(9) 0.228(2) 0.181(13) Uani 1 1 d G U . . .
H97A H 0.057391 0.081206 0.199744 0.217 Uiso 1 1 calc R U . . .
C98 C 0.1189(17) 0.1055(10) 0.262(2) 0.184(13) Uani 1 1 d G U . . .
H98A H 0.142390 0.089755 0.258073 0.221 Uiso 1 1 calc R U . . .
C99 C 0.1347(12) 0.1341(13) 0.304(2) 0.186(13) Uani 1 1 d DG U . . .
C100 C 0.1925(13) 0.1317(16) 0.337(4) 0.21(2) Uani 1 1 d D U . . .
H10C H 0.204832 0.151140 0.366441 0.316 Uiso 1 1 calc R U . . .
H10D H 0.200649 0.112675 0.369684 0.316 Uiso 1 1 calc R U . . .
H10E H 0.207902 0.129725 0.296312 0.316 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
Sb1 Sb12 2.795(4) . ?
Sb1 Sb2 2.869(4) . ?
Sb1 Sb13 2.877(4) . ?
O1 C1 1.167(16) . ?
C1 Ni2 1.756(16) . ?
Sb2 Ni1 2.552(5) . ?
Sb2 Ni3 2.646(6) . ?
Sb2 Sb3 2.904(4) . ?
O2 C2 1.163(16) . ?
C2 Ni3 1.755(16) . ?
Sb3 Ni1 2.617(5) . ?
Sb3 Sb4 2.902(4) . ?
Sb3 Sb14 2.919(4) . ?
O3 C3 1.163(16) . ?
C3 Ni4 1.749(16) . ?
Sb4 Ni1 2.552(5) . ?
Sb4 Ni2 2.638(5) . ?
Sb4 Sb12 2.849(4) . ?
C4 O4 1.166(16) . ?
C4 Ni5 1.744(16) . ?
Sb5 Ni1 2.506(5) . ?
Sb5 Ni3 2.635(5) . ?
Sb5 Ni2 2.638(6) . ?
Sb5 Sb6 2.970(4) . ?
Sb5 Sb7 2.977(4) . ?
O5 C5 1.168(16) . ?
C5 Ni7 1.759(17) . ?
Sb6 Ni4 2.618(6) . ?
Sb6 Ni3 2.638(5) . ?
Sb6 Sb7 2.890(4) . ?
Sb6 Sb8 2.901(4) . ?
O6 C6 1.167(17) . ?
C6 Ni8 1.764(17) . ?
Sb7 Ni4 2.614(6) . ?
Sb7 Ni2 2.632(6) . ?
Sb7 Sb9 2.906(4) . ?
O7 C7 1.173(16) . ?
O7 K4 2.89(3) . ?
C7 Ni9 1.754(17) . ?
Sb8 Ni5 2.540(6) . ?
Sb8 Ni4 2.559(6) . ?
Sb8 Ni3 2.825(6) . ?
Sb8 Sb10 2.857(4) . ?
O8 C8 1.175(16) . ?
C8 Ni10 1.751(16) . ?
Sb9 Ni5 2.539(6) . ?
Sb9 Ni4 2.561(6) . ?
Sb9 Ni2 2.832(5) . ?
Sb9 Sb11 2.861(4) . ?
Sb10 Ni1 2.588(5) . ?
Sb10 Ni5 2.682(6) . ?
Sb10 Ni3 2.695(6) . ?
Sb10 Sb11 2.876(4) . ?
Sb11 Ni1 2.593(5) . ?
Sb11 Ni5 2.662(6) . ?
Sb11 Ni2 2.725(5) . ?
Sb12 Sb15 2.854(4) . ?
Sb13 Ni6 2.561(6) . ?
Sb13 Ni7 2.642(6) . ?
Sb13 Sb14 2.904(4) . ?
Sb14 Ni6 2.632(5) . ?
Sb14 Sb15 2.911(4) . ?
Sb15 Ni6 2.555(6) . ?
Sb15 Ni8 2.642(6) . ?
Sb16 Ni6 2.506(6) . ?
Sb16 Ni8 2.637(6) . ?
Sb16 Ni7 2.639(6) . ?
Sb16 Sb17 2.968(4) . ?
Sb16 Sb18 2.978(4) . ?
Sb17 Ni9 2.603(6) . ?
Sb17 Ni8 2.631(6) . ?
Sb17 Sb19 2.901(4) . ?
Sb17 Sb18 2.908(5) . ?
Sb18 Ni9 2.618(6) . ?
Sb18 Ni7 2.646(6) . ?
Sb18 Sb20 2.877(4) . ?
Sb19 Ni10 2.537(6) . ?
Sb19 Ni9 2.569(7) . ?
Sb19 Ni8 2.830(6) . ?
Sb19 Sb21 2.870(4) . ?
Sb20 Ni10 2.531(6) . ?
Sb20 Ni9 2.561(6) . ?
Sb20 Ni7 2.834(6) . ?
Sb20 Sb22 2.875(4) . ?
Sb21 Ni6 2.584(6) . ?
Sb21 Ni10 2.671(6) . ?
Sb21 Ni8 2.704(6) . ?
Sb21 Sb22 2.886(4) . ?
Sb22 Ni6 2.590(5) . ?
Sb22 Ni7 2.649(6) . ?
Sb22 Ni10 2.693(6) . ?
Ni1 Ni2 2.623(7) . ?
Ni1 Ni3 2.625(7) . ?
Ni4 Ni5 2.745(7) . ?
Ni6 Ni8 2.598(7) . ?
Ni6 Ni7 2.637(7) . ?
Ni9 Ni10 2.754(7) . ?
K1 O14 2.74(4) . ?
K1 O11 2.73(4) . ?
K1 O12 2.83(4) . ?
K1 O9 2.81(4) . ?
K1 O10 2.85(4) . ?
K1 O13 2.85(3) . ?
K1 C11 3.53(6) . ?
K2 O20 2.69(3) . ?
K2 O15 2.71(3) . ?
K2 O17 2.76(3) . ?
K2 O16 2.82(3) . ?
K2 O18 2.82(3) . ?
K2 O19 2.84(3) . ?
K2 N5 2.97(5) . ?
K2 N6 2.98(5) 4_566 ?
K2 C32 3.50(4) . ?
K3 O23 2.69(4) . ?
K3 O24 2.78(4) . ?
K3 O26 2.81(4) . ?
K3 O21 2.83(4) . ?
K3 O25 2.83(4) . ?
K3 O22 2.91(4) . ?
K3 C38 3.46(6) . ?
K3 C33 3.48(6) . ?
K3 C44 3.53(6) . ?
K3 C37 3.54(6) . ?
K4 O32 2.68(4) . ?
K4 O31 2.76(4) . ?
K4 O28 2.75(4) . ?
K4 O29 2.78(4) . ?
K4 O30 2.82(4) . ?
K4 O27 2.90(4) . ?
K4 C53 3.46(6) . ?
K4 C45 3.52(5) . ?
K4 C48 3.56(6) . ?
K5 O33 2.80(4) . ?
K5 O35 2.83(5) . ?
K5 O36 2.86(6) . ?
K5 O37 2.86(6) . ?
K5 O38 2.84(5) . ?
K5 O34 2.93(5) . ?
K5 C59 3.28(7) . ?
K5 C65 3.37(8) . ?
K5 C62 3.46(8) . ?
K5 C64 3.45(8) . ?
K5 C66 3.51(7) . ?
K5 C58 3.42(7) . ?
K6 O40 2.70(2) . ?
K6 O40 2.70(2) 3_566 ?
K6 O39 2.79(2) 3_566 ?
K6 O39 2.79(2) . ?
K6 O41 2.89(3) 3_566 ?
K6 O41 2.89(3) . ?
K6 N1 2.97(6) 3_566 ?
K6 N1 2.97(6) . ?
K7 O44 2.75(4) . ?
K7 O44 2.75(4) 3_767 ?
K7 O42 2.82(4) 3_767 ?
K7 O42 2.82(4) . ?
K7 O43 2.81(4) 3_767 ?
K7 O43 2.81(4) . ?
K7 N3 2.83(4) . ?
K7 N3 2.83(4) 3_767 ?
K7 C80 3.51(6) 3_767 ?
K7 C80 3.51(6) . ?
K7 C79 3.55(6) . ?
K7 C79 3.55(6) 3_767 ?
O9 C9 1.35(5) . ?
O9 C20 1.43(5) . ?
O10 C11 1.33(5) . ?
O10 C10 1.44(5) . ?
O11 C12 1.37(5) . ?
O11 C13 1.45(5) . ?
O12 C15 1.42(5) . ?
O12 C14 1.42(5) . ?
O13 C17 1.43(5) . ?
O13 C16 1.42(5) . ?
O14 C18 1.37(5) . ?
O14 C19 1.44(5) . ?
O15 C32 1.36(4) . ?
O15 C21 1.42(4) . ?
O16 C22 1.42(4) . ?
O16 C23 1.47(5) . ?
O17 C24 1.42(5) . ?
O17 C25 1.48(5) . ?
O18 C27 1.42(5) . ?
O18 C26 1.49(5) . ?
O19 C29 1.39(4) . ?
O19 C28 1.41(4) . ?
O20 C30 1.36(4) . ?
O20 C31 1.38(4) . ?
O21 C33 1.23(6) . ?
O21 C44 1.43(6) . ?
O22 C35 1.29(3) . ?
O22 C34 1.36(6) . ?
O23 C36 1.33(6) . ?
O23 C37 1.40(6) . ?
O24 C38 1.32(6) . ?
O24 C39 1.38(6) . ?
O25 C40 1.40(6) . ?
O25 C41 1.39(6) . ?
O26 C43 1.25(6) . ?
O26 C42 1.29(3) . ?
O27 C45 1.37(5) . ?
O27 C56 1.46(5) . ?
O28 C47 1.50(5) . ?
O28 C46 1.51(5) . ?
O29 C48 1.39(5) . ?
O29 C49 1.42(5) . ?
O30 C50 1.44(6) . ?
O30 C51 1.49(6) . ?
O31 C53 1.33(5) . ?
O31 C52 1.40(5) . ?
O32 C54 1.39(5) . ?
O32 C55 1.33(5) . ?
O33 C57 1.42(5) . ?
O33 C68 1.29(3) . ?
O34 C59 1.33(8) . ?
O34 C58 1.29(3) . ?
O35 C60 1.37(6) . ?
O35 C61 1.46(6) . ?
O36 C63 1.29(3) . ?
O36 C62 1.36(8) . ?
O37 C65 1.26(7) . ?
O37 C64 1.43(7) . ?
O38 C67 1.29(3) . ?
O38 C66 1.29(3) . ?
O39 C74 1.41(4) 3_566 ?
O39 C69 1.51(4) . ?
O40 C71 1.46(4) . ?
O40 C70 1.45(4) . ?
O41 C73 1.33(4) . ?
O41 C72 1.46(4) . ?
O42 C75 1.43(2) . ?
O42 C80 1.44(6) 3_767 ?
O43 C76 1.38(6) . ?
O43 C77 1.50(6) . ?
O44 C79 1.39(6) . ?
O44 C78 1.49(6) . ?
N1 C81 1.42(3) . ?
N2 C82 1.42(3) . ?
N3 C83 1.42(3) . ?
N4 C84 1.42(3) . ?
N5 C85 1.42(3) . ?
N6 C86 1.42(3) . ?
C9 C10 1.545(10) . ?
C11 C12 1.548(10) . ?
C13 C14 1.547(10) . ?
C15 C16 1.548(10) . ?
C17 C18 1.549(11) . ?
C19 C20 1.546(10) . ?
C21 C22 1.548(10) . ?
C23 C24 1.548(10) . ?
C25 C26 1.549(10) . ?
C27 C28 1.548(10) . ?
C29 C30 1.546(10) . ?
C31 C32 1.547(10) . ?
C33 C34 1.548(10) . ?
C35 C36 1.550(10) . ?
C37 C38 1.547(10) . ?
C39 C40 1.546(10) . ?
C41 C42 1.547(11) . ?
C43 C44 1.547(11) . ?
C45 C46 1.548(10) . ?
C47 C48 1.550(10) . ?
C49 C50 1.553(10) . ?
C51 C52 1.548(10) . ?
C53 C54 1.547(10) . ?
C55 C56 1.548(10) . ?
C57 C58 1.544(11) . ?
C57 C68 2.38(2) . ?
C59 C60 1.546(11) . ?
C61 C62 1.548(11) . ?
C63 C64 1.549(11) . ?
C65 C66 1.547(11) . ?
C67 C68 1.545(11) . ?
C69 C70 1.550(10) . ?
C71 C72 1.546(10) . ?
C73 C74 1.552(10) . ?
C75 C76 1.551(11) . ?
C77 C78 1.549(11) . ?
C79 C80 1.549(11) . ?
C81 C82 1.548(11) . ?
C83 C84 1.548(10) . ?
C85 C86 1.548(11) . ?
C87 C88 1.3900 . ?
C87 C92 1.3900 . ?
C88 C89 1.3900 . ?
C89 C90 1.3900 . ?
C90 C91 1.3900 . ?
C91 C92 1.3900 . ?
C92 C93 1.550(10) . ?
C94 C95 1.3900 . ?
C94 C99 1.3900 . ?
C95 C96 1.3900 . ?
C96 C97 1.3900 . ?
C97 C98 1.3900 . ?
C98 C99 1.3900 . ?
C99 C100 1.546(10) . ?

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
Sb12 Sb1 Sb2 104.66(11) . . ?
Sb12 Sb1 Sb13 104.83(11) . . ?
Sb2 Sb1 Sb13 86.27(11) . . ?
O1 C1 Ni2 174(4) . . ?
Ni1 Sb2 Ni3 60.64(16) . . ?
Ni1 Sb2 Sb1 101.02(14) . . ?
Ni3 Sb2 Sb1 112.69(15) . . ?
Ni1 Sb2 Sb3 56.88(13) . . ?
Ni3 Sb2 Sb3 114.33(15) . . ?
Sb1 Sb2 Sb3 97.16(11) . . ?
O2 C2 Ni3 180(5) . . ?
Ni1 Sb3 Sb4 54.78(12) . . ?
Ni1 Sb3 Sb2 54.76(13) . . ?
Sb4 Sb3 Sb2 94.69(11) . . ?
Ni1 Sb3 Sb14 138.37(15) . . ?
Sb4 Sb3 Sb14 101.37(11) . . ?
Sb2 Sb3 Sb14 101.12(12) . . ?
O3 C3 Ni4 179(4) . . ?
Ni1 Sb4 Ni2 60.70(15) . . ?
Ni1 Sb4 Sb12 101.23(15) . . ?
Ni2 Sb4 Sb12 110.66(15) . . ?
Ni1 Sb4 Sb3 56.91(12) . . ?
Ni2 Sb4 Sb3 115.13(14) . . ?
Sb12 Sb4 Sb3 97.12(11) . . ?
O4 C4 Ni5 176(4) . . ?
Ni1 Sb5 Ni3 61.35(17) . . ?
Ni1 Sb5 Ni2 61.27(16) . . ?
Ni3 Sb5 Ni2 106.73(17) . . ?
Ni1 Sb5 Sb6 104.85(14) . . ?
Ni3 Sb5 Sb6 55.77(13) . . ?
Ni2 Sb5 Sb6 102.42(14) . . ?
Ni1 Sb5 Sb7 104.61(14) . . ?
Ni3 Sb5 Sb7 102.48(14) . . ?
Ni2 Sb5 Sb7 55.52(13) . . ?
Sb6 Sb5 Sb7 58.15(10) . . ?
O5 C5 Ni7 174(5) . . ?
Ni4 Sb6 Ni3 100.88(18) . . ?
Ni4 Sb6 Sb7 56.40(13) . . ?
Ni3 Sb6 Sb7 104.75(15) . . ?
Ni4 Sb6 Sb8 54.96(13) . . ?
Ni3 Sb6 Sb8 61.10(13) . . ?
Sb7 Sb6 Sb8 103.20(12) . . ?
Ni4 Sb6 Sb5 101.05(15) . . ?
Ni3 Sb6 Sb5 55.66(13) . . ?
Sb7 Sb6 Sb5 61.04(9) . . ?
Sb8 Sb6 Sb5 103.97(11) . . ?
O6 C6 Ni8 167(5) . . ?
Ni4 Sb7 Ni2 101.04(17) . . ?
Ni4 Sb7 Sb6 56.53(13) . . ?
Ni2 Sb7 Sb6 104.73(14) . . ?
Ni4 Sb7 Sb9 54.99(14) . . ?
Ni2 Sb7 Sb9 61.28(13) . . ?
Sb6 Sb7 Sb9 103.33(12) . . ?
Ni4 Sb7 Sb5 100.97(14) . . ?
Ni2 Sb7 Sb5 55.69(13) . . ?
Sb6 Sb7 Sb5 60.81(9) . . ?
Sb9 Sb7 Sb5 104.05(11) . . ?
C7 O7 K4 140(3) . . ?
O7 C7 Ni9 171(4) . . ?
Ni5 Sb8 Ni4 65.14(17) . . ?
Ni5 Sb8 Ni3 100.79(17) . . ?
Ni4 Sb8 Ni3 97.52(16) . . ?
Ni5 Sb8 Sb10 59.24(14) . . ?
Ni4 Sb8 Sb10 108.72(15) . . ?
Ni3 Sb8 Sb10 56.62(13) . . ?
Ni5 Sb8 Sb6 109.16(15) . . ?
Ni4 Sb8 Sb6 56.88(13) . . ?
Ni3 Sb8 Sb6 54.85(12) . . ?
Sb10 Sb8 Sb6 104.98(11) . . ?
O8 C8 Ni10 172(4) . . ?
Ni5 Sb9 Ni4 65.13(17) . . ?
Ni5 Sb9 Ni2 100.74(16) . . ?
Ni4 Sb9 Ni2 97.18(17) . . ?
Ni5 Sb9 Sb11 58.71(14) . . ?
Ni4 Sb9 Sb11 108.36(15) . . ?
Ni2 Sb9 Sb11 57.19(12) . . ?
Ni5 Sb9 Sb7 108.97(16) . . ?
Ni4 Sb9 Sb7 56.70(13) . . ?
Ni2 Sb9 Sb7 54.59(12) . . ?
Sb11 Sb9 Sb7 105.11(11) . . ?
Ni1 Sb10 Ni5 98.36(17) . . ?
Ni1 Sb10 Ni3 59.55(16) . . ?
Ni5 Sb10 Ni3 100.62(17) . . ?
Ni1 Sb10 Sb8 105.26(14) . . ?
Ni5 Sb10 Sb8 54.48(14) . . ?
Ni3 Sb10 Sb8 61.08(13) . . ?
Ni1 Sb10 Sb11 56.36(13) . . ?
Ni5 Sb10 Sb11 57.10(13) . . ?
Ni3 Sb10 Sb11 104.74(14) . . ?
Sb8 Sb10 Sb11 103.39(11) . . ?
Ni1 Sb11 Ni5 98.77(18) . . ?
Ni1 Sb11 Ni2 59.06(15) . . ?
Ni5 Sb11 Ni2 100.47(17) . . ?
Ni1 Sb11 Sb9 105.12(14) . . ?
Ni5 Sb11 Sb9 54.59(13) . . ?
Ni2 Sb11 Sb9 60.88(13) . . ?
Ni1 Sb11 Sb10 56.21(13) . . ?
Ni5 Sb11 Sb10 57.78(13) . . ?
Ni2 Sb11 Sb10 104.22(14) . . ?
Sb9 Sb11 Sb10 103.86(11) . . ?
Sb1 Sb12 Sb4 105.24(11) . . ?
Sb1 Sb12 Sb15 104.69(11) . . ?
Sb4 Sb12 Sb15 87.57(11) . . ?
Ni6 Sb13 Ni7 60.88(17) . . ?
Ni6 Sb13 Sb1 100.71(15) . . ?
Ni7 Sb13 Sb1 112.48(16) . . ?
Ni6 Sb13 Sb14 57.17(14) . . ?
Ni7 Sb13 Sb14 114.24(16) . . ?
Sb1 Sb13 Sb14 98.59(11) . . ?
Ni6 Sb14 Sb13 54.84(13) . . ?
Ni6 Sb14 Sb15 54.61(13) . . ?
Sb13 Sb14 Sb15 94.07(12) . . ?
Ni6 Sb14 Sb3 135.24(16) . . ?
Sb13 Sb14 Sb3 98.89(12) . . ?
Sb15 Sb14 Sb3 98.97(11) . . ?
Ni6 Sb15 Ni8 59.96(16) . . ?
Ni6 Sb15 Sb12 101.69(16) . . ?
Ni8 Sb15 Sb12 107.13(16) . . ?
Ni6 Sb15 Sb14 57.12(13) . . ?
Ni8 Sb15 Sb14 115.28(15) . . ?
Sb12 Sb15 Sb14 98.67(11) . . ?
Ni6 Sb16 Ni8 60.61(16) . . ?
Ni6 Sb16 Ni7 61.60(17) . . ?
Ni8 Sb16 Ni7 106.19(18) . . ?
Ni6 Sb16 Sb17 104.60(15) . . ?
Ni8 Sb16 Sb17 55.60(13) . . ?
Ni7 Sb16 Sb17 102.66(15) . . ?
Ni6 Sb16 Sb18 105.30(14) . . ?
Ni8 Sb16 Sb18 102.60(15) . . ?
Ni7 Sb16 Sb18 55.81(13) . . ?
Sb17 Sb16 Sb18 58.56(11) . . ?
Ni9 Sb17 Ni8 101.43(18) . . ?
Ni9 Sb17 Sb19 55.34(15) . . ?
Ni8 Sb17 Sb19 61.31(14) . . ?
Ni9 Sb17 Sb18 56.38(15) . . ?
Ni8 Sb17 Sb18 104.67(15) . . ?
Sb19 Sb17 Sb18 103.33(12) . . ?
Ni9 Sb17 Sb16 101.43(16) . . ?
Ni8 Sb17 Sb16 55.81(14) . . ?
Sb19 Sb17 Sb16 104.40(11) . . ?
Sb18 Sb17 Sb16 60.89(10) . . ?
Ni9 Sb18 Ni7 101.24(18) . . ?
Ni9 Sb18 Sb20 55.31(14) . . ?
Ni7 Sb18 Sb20 61.58(14) . . ?
Ni9 Sb18 Sb17 55.91(15) . . ?
Ni7 Sb18 Sb17 104.10(16) . . ?
Sb20 Sb18 Sb17 102.91(12) . . ?
Ni9 Sb18 Sb16 100.81(16) . . ?
Ni7 Sb18 Sb16 55.58(13) . . ?
Sb20 Sb18 Sb16 104.32(11) . . ?
Sb17 Sb18 Sb16 60.55(10) . . ?
Ni10 Sb19 Ni9 65.26(18) . . ?
Ni10 Sb19 Ni8 100.09(17) . . ?
Ni9 Sb19 Ni8 97.12(18) . . ?
Ni10 Sb19 Sb21 58.82(14) . . ?
Ni9 Sb19 Sb21 108.69(16) . . ?
Ni8 Sb19 Sb21 56.63(12) . . ?
Ni10 Sb19 Sb17 108.44(17) . . ?
Ni9 Sb19 Sb17 56.44(14) . . ?
Ni8 Sb19 Sb17 54.64(13) . . ?
Sb21 Sb19 Sb17 104.73(12) . . ?
Ni10 Sb20 Ni9 65.47(18) . . ?
Ni10 Sb20 Ni7 99.99(17) . . ?
Ni9 Sb20 Ni7 97.79(18) . . ?
Ni10 Sb20 Sb22 59.35(14) . . ?
Ni9 Sb20 Sb22 108.85(16) . . ?
Ni7 Sb20 Sb22 55.27(13) . . ?
Ni10 Sb20 Sb18 109.43(16) . . ?
Ni9 Sb20 Sb18 57.20(15) . . ?
Ni7 Sb20 Sb18 55.20(13) . . ?
Sb22 Sb20 Sb18 104.32(12) . . ?
Ni6 Sb21 Ni10 98.92(18) . . ?
Ni6 Sb21 Ni8 58.80(16) . . ?
Ni10 Sb21 Ni8 100.03(17) . . ?
Ni6 Sb21 Sb19 105.30(15) . . ?
Ni10 Sb21 Sb19 54.36(13) . . ?
Ni8 Sb21 Sb19 60.93(13) . . ?
Ni6 Sb21 Sb22 56.20(13) . . ?
Ni10 Sb21 Sb22 57.83(14) . . ?
Ni8 Sb21 Sb22 103.63(15) . . ?
Sb19 Sb21 Sb22 103.69(12) . . ?
Ni6 Sb22 Ni7 60.43(17) . . ?
Ni6 Sb22 Ni10 98.21(17) . . ?
Ni7 Sb22 Ni10 100.73(17) . . ?
Ni6 Sb22 Sb20 105.96(15) . . ?
Ni7 Sb22 Sb20 61.57(14) . . ?
Ni10 Sb22 Sb20 53.95(14) . . ?
Ni6 Sb22 Sb21 56.01(13) . . ?
Ni7 Sb22 Sb21 105.23(15) . . ?
Ni10 Sb22 Sb21 57.09(13) . . ?
Sb20 Sb22 Sb21 103.17(12) . . ?
Sb5 Ni1 Sb4 91.06(17) . . ?
Sb5 Ni1 Sb2 88.98(17) . . ?
Sb4 Ni1 Sb2 113.60(19) . . ?
Sb5 Ni1 Sb10 118.6(2) . . ?
Sb4 Ni1 Sb10 145.8(2) . . ?
Sb2 Ni1 Sb10 85.36(16) . . ?
Sb5 Ni1 Sb11 119.18(19) . . ?
Sb4 Ni1 Sb11 83.86(17) . . ?
Sb2 Ni1 Sb11 147.4(2) . . ?
Sb10 Ni1 Sb11 67.43(14) . . ?
Sb5 Ni1 Sb3 137.6(2) . . ?
Sb4 Ni1 Sb3 68.31(14) . . ?
Sb2 Ni1 Sb3 68.36(14) . . ?
Sb10 Ni1 Sb3 95.53(17) . . ?
Sb11 Ni1 Sb3 95.82(18) . . ?
Sb5 Ni1 Ni2 61.85(16) . . ?
Sb4 Ni1 Ni2 61.28(16) . . ?
Sb2 Ni1 Ni2 149.3(2) . . ?
Sb10 Ni1 Ni2 116.0(2) . . ?
Sb11 Ni1 Ni2 62.98(16) . . ?
Sb3 Ni1 Ni2 126.5(2) . . ?
Sb5 Ni1 Ni3 61.75(16) . . ?
Sb4 Ni1 Ni3 151.6(2) . . ?
Sb2 Ni1 Ni3 61.45(16) . . ?
Sb10 Ni1 Ni3 62.24(16) . . ?
Sb11 Ni1 Ni3 115.5(2) . . ?
Sb3 Ni1 Ni3 125.7(2) . . ?
Ni2 Ni1 Ni3 107.4(2) . . ?
C1 Ni2 Ni1 145.9(14) . . ?
C1 Ni2 Sb7 96.0(14) . . ?
Ni1 Ni2 Sb7 111.6(2) . . ?
C1 Ni2 Sb5 121.2(14) . . ?
Ni1 Ni2 Sb5 56.88(15) . . ?
Sb7 Ni2 Sb5 68.79(15) . . ?
C1 Ni2 Sb4 88.3(14) . . ?
Ni1 Ni2 Sb4 58.02(15) . . ?
Sb7 Ni2 Sb4 153.2(2) . . ?
Sb5 Ni2 Sb4 86.32(16) . . ?
C1 Ni2 Sb11 126.3(14) . . ?
Ni1 Ni2 Sb11 57.96(15) . . ?
Sb7 Ni2 Sb11 117.44(19) . . ?
Sb5 Ni2 Sb11 110.15(18) . . ?
Sb4 Ni2 Sb11 79.71(15) . . ?
C1 Ni2 Sb9 104.9(14) . . ?
Ni1 Ni2 Sb9 105.09(19) . . ?
Sb7 Ni2 Sb9 64.13(14) . . ?
Sb5 Ni2 Sb9 115.91(19) . . ?
Sb4 Ni2 Sb9 140.0(2) . . ?
Sb11 Ni2 Sb9 61.93(12) . . ?
C2 Ni3 Ni1 148.2(13) . . ?
C2 Ni3 Sb5 127.2(13) . . ?
Ni1 Ni3 Sb5 56.90(15) . . ?
C2 Ni3 Sb6 97.1(13) . . ?
Ni1 Ni3 Sb6 111.4(2) . . ?
Sb5 Ni3 Sb6 68.56(14) . . ?
C2 Ni3 Sb2 90.3(13) . . ?
Ni1 Ni3 Sb2 57.91(15) . . ?
Sb5 Ni3 Sb2 84.32(16) . . ?
Sb6 Ni3 Sb2 150.6(2) . . ?
C2 Ni3 Sb10 120.4(13) . . ?
Ni1 Ni3 Sb10 58.21(15) . . ?
Sb5 Ni3 Sb10 110.58(19) . . ?
Sb6 Ni3 Sb10 117.86(19) . . ?
Sb2 Ni3 Sb10 81.46(16) . . ?
C2 Ni3 Sb8 99.7(13) . . ?
Ni1 Ni3 Sb8 105.2(2) . . ?
Sb5 Ni3 Sb8 115.80(18) . . ?
Sb6 Ni3 Sb8 64.05(14) . . ?
Sb2 Ni3 Sb8 142.6(2) . . ?
Sb10 Ni3 Sb8 62.30(13) . . ?
C3 Ni4 Sb8 115.6(13) . . ?
C3 Ni4 Sb9 114.0(13) . . ?
Sb8 Ni4 Sb9 111.1(2) . . ?
C3 Ni4 Sb7 115.5(13) . . ?
Sb8 Ni4 Sb7 122.6(2) . . ?
Sb9 Ni4 Sb7 68.32(15) . . ?
C3 Ni4 Sb6 116.5(13) . . ?
Sb8 Ni4 Sb6 68.16(15) . . ?
Sb9 Ni4 Sb6 122.8(2) . . ?
Sb7 Ni4 Sb6 67.07(15) . . ?
C3 Ni4 Ni5 121.9(13) . . ?
Sb8 Ni4 Ni5 57.10(16) . . ?
Sb9 Ni4 Ni5 57.04(16) . . ?
Sb7 Ni4 Ni5 111.7(2) . . ?
Sb6 Ni4 Ni5 111.7(2) . . ?
C4 Ni5 Sb8 117.2(12) . . ?
C4 Ni5 Sb9 116.6(12) . . ?
Sb8 Ni5 Sb9 112.5(2) . . ?
C4 Ni5 Sb11 114.3(13) . . ?
Sb8 Ni5 Sb11 119.7(2) . . ?
Sb9 Ni5 Sb11 66.70(14) . . ?
C4 Ni5 Sb10 114.9(13) . . ?
Sb8 Ni5 Sb10 66.28(15) . . ?
Sb9 Ni5 Sb10 119.75(19) . . ?
Sb11 Ni5 Sb10 65.12(14) . . ?
C4 Ni5 Ni4 128.1(13) . . ?
Sb8 Ni5 Ni4 57.76(16) . . ?
Sb9 Ni5 Ni4 57.84(16) . . ?
Sb11 Ni5 Ni4 108.93(19) . . ?
Sb10 Ni5 Ni4 108.5(2) . . ?
Sb16 Ni6 Sb15 91.95(17) . . ?
Sb16 Ni6 Sb13 85.87(18) . . ?
Sb15 Ni6 Sb13 112.58(19) . . ?
Sb16 Ni6 Sb21 119.2(2) . . ?
Sb15 Ni6 Sb21 83.86(18) . . ?
Sb13 Ni6 Sb21 150.4(2) . . ?
Sb16 Ni6 Sb22 117.4(2) . . ?
Sb15 Ni6 Sb22 146.2(2) . . ?
Sb13 Ni6 Sb22 87.34(17) . . ?
Sb21 Ni6 Sb22 67.80(15) . . ?
Sb16 Ni6 Ni8 62.19(17) . . ?
Sb15 Ni6 Ni8 61.69(17) . . ?
Sb13 Ni6 Ni8 146.3(2) . . ?
Sb21 Ni6 Ni8 62.89(17) . . ?
Sb22 Ni6 Ni8 115.8(2) . . ?
Sb16 Ni6 Sb14 135.7(2) . . ?
Sb15 Ni6 Sb14 68.27(15) . . ?
Sb13 Ni6 Sb14 67.99(15) . . ?
Sb21 Ni6 Sb14 98.35(19) . . ?
Sb22 Ni6 Sb14 97.15(17) . . ?
Ni8 Ni6 Sb14 127.6(2) . . ?
Sb16 Ni6 Ni7 61.68(17) . . ?
Sb15 Ni6 Ni7 152.5(2) . . ?
Sb13 Ni6 Ni7 61.09(17) . . ?
Sb21 Ni6 Ni7 114.8(2) . . ?
Sb22 Ni6 Ni7 60.88(16) . . ?
Ni8 Ni6 Ni7 107.4(2) . . ?
Sb14 Ni6 Ni7 124.4(2) . . ?
C5 Ni7 Ni6 144.8(18) . . ?
C5 Ni7 Sb16 128.9(18) . . ?
Ni6 Ni7 Sb16 56.73(16) . . ?
C5 Ni7 Sb13 87.2(18) . . ?
Ni6 Ni7 Sb13 58.03(16) . . ?
Sb16 Ni7 Sb13 81.63(16) . . ?
C5 Ni7 Sb18 100.7(18) . . ?
Ni6 Ni7 Sb18 111.6(2) . . ?
Sb16 Ni7 Sb18 68.61(16) . . ?
Sb13 Ni7 Sb18 147.2(2) . . ?
C5 Ni7 Sb22 117.4(18) . . ?
Ni6 Ni7 Sb22 58.69(16) . . ?
Sb16 Ni7 Sb22 110.9(2) . . ?
Sb13 Ni7 Sb22 84.48(17) . . ?
Sb18 Ni7 Sb22 118.2(2) . . ?
C5 Ni7 Sb20 100.9(18) . . ?
Ni6 Ni7 Sb20 105.9(2) . . ?
Sb16 Ni7 Sb20 115.3(2) . . ?
Sb13 Ni7 Sb20 146.8(2) . . ?
Sb18 Ni7 Sb20 63.23(14) . . ?
Sb22 Ni7 Sb20 63.16(13) . . ?
C6 Ni8 Ni6 145.1(17) . . ?
C6 Ni8 Sb17 98.1(17) . . ?
Ni6 Ni8 Sb17 112.2(2) . . ?
C6 Ni8 Sb16 125.0(16) . . ?
Ni6 Ni8 Sb16 57.20(16) . . ?
Sb17 Ni8 Sb16 68.59(16) . . ?
C6 Ni8 Sb15 86.8(17) . . ?
Ni6 Ni8 Sb15 58.35(15) . . ?
Sb17 Ni8 Sb15 153.4(2) . . ?
Sb16 Ni8 Sb15 87.15(17) . . ?
C6 Ni8 Sb21 121.9(16) . . ?
Ni6 Ni8 Sb21 58.30(16) . . ?
Sb17 Ni8 Sb21 117.9(2) . . ?
Sb16 Ni8 Sb21 110.59(19) . . ?
Sb15 Ni8 Sb21 79.93(15) . . ?
C6 Ni8 Sb19 102.4(17) . . ?
Ni6 Ni8 Sb19 106.1(2) . . ?
Sb17 Ni8 Sb19 64.05(14) . . ?
Sb16 Ni8 Sb19 116.0(2) . . ?
Sb15 Ni8 Sb19 140.5(2) . . ?
Sb21 Ni8 Sb19 62.44(13) . . ?
C7 Ni9 Sb20 118.3(15) . . ?
C7 Ni9 Sb19 118.4(15) . . ?
Sb20 Ni9 Sb19 110.7(2) . . ?
C7 Ni9 Sb17 109.3(15) . . ?
Sb20 Ni9 Sb17 122.4(2) . . ?
Sb19 Ni9 Sb17 68.22(17) . . ?
C7 Ni9 Sb18 109.2(15) . . ?
Sb20 Ni9 Sb18 67.49(17) . . ?
Sb19 Ni9 Sb18 122.9(2) . . ?
Sb17 Ni9 Sb18 67.71(16) . . ?
C7 Ni9 Ni10 131.2(15) . . ?
Sb20 Ni9 Ni10 56.75(17) . . ?
Sb19 Ni9 Ni10 56.81(16) . . ?
Sb17 Ni9 Ni10 111.1(2) . . ?
Sb18 Ni9 Ni10 110.7(2) . . ?
C8 Ni10 Sb20 113.9(14) . . ?
C8 Ni10 Sb19 121.0(14) . . ?
Sb20 Ni10 Sb19 112.7(2) . . ?
C8 Ni10 Sb21 114.3(14) . . ?
Sb20 Ni10 Sb21 120.4(2) . . ?
Sb19 Ni10 Sb21 66.82(15) . . ?
C8 Ni10 Sb22 110.5(14) . . ?
Sb20 Ni10 Sb22 66.70(15) . . ?
Sb19 Ni10 Sb22 119.8(2) . . ?
Sb21 Ni10 Sb22 65.09(14) . . ?
C8 Ni10 Ni9 130.3(14) . . ?
Sb20 Ni10 Ni9 57.78(17) . . ?
Sb19 Ni10 Ni9 57.93(17) . . ?
Sb21 Ni10 Ni9 109.2(2) . . ?
Sb22 Ni10 Ni9 108.7(2) . . ?
O14 K1 O11 122.3(11) . . ?
O14 K1 O12 106.8(12) . . ?
O11 K1 O12 62.2(11) . . ?
O14 K1 O9 59.5(12) . . ?
O11 K1 O9 108.1(12) . . ?
O12 K1 O9 157.4(12) . . ?
O14 K1 O10 116.1(12) . . ?
O11 K1 O10 59.0(12) . . ?
O12 K1 O10 119.2(12) . . ?
O9 K1 O10 61.3(11) . . ?
O14 K1 O13 59.3(11) . . ?
O11 K1 O13 118.7(11) . . ?
O12 K1 O13 60.7(11) . . ?
O9 K1 O13 116.0(11) . . ?
O10 K1 O13 173.6(11) . . ?
O14 K1 C11 112.6(12) . . ?
O11 K1 C11 41.5(11) . . ?
O12 K1 C11 103.6(11) . . ?
O9 K1 C11 69.8(11) . . ?
O10 K1 C11 20.8(10) . . ?
O13 K1 C11 154.2(12) . . ?
O20 K2 O15 61.5(9) . . ?
O20 K2 O17 176.7(11) . . ?
O15 K2 O17 119.2(10) . . ?
O20 K2 O16 120.0(10) . . ?
O15 K2 O16 59.6(9) . . ?
O17 K2 O16 61.4(10) . . ?
O20 K2 O18 119.6(10) . . ?
O15 K2 O18 174.0(10) . . ?
O17 K2 O18 59.4(10) . . ?
O16 K2 O18 120.2(10) . . ?
O20 K2 O19 59.4(9) . . ?
O15 K2 O19 117.8(9) . . ?
O17 K2 O19 118.8(10) . . ?
O16 K2 O19 172.8(10) . . ?
O18 K2 O19 61.5(9) . . ?
O20 K2 N5 88.5(12) . . ?
O15 K2 N5 84.3(12) . . ?
O17 K2 N5 88.4(12) . . ?
O16 K2 N5 96.2(12) . . ?
O18 K2 N5 89.8(12) . . ?
O19 K2 N5 76.7(12) . . ?
O20 K2 N6 97.2(12) . 4_566 ?
O15 K2 N6 86.8(12) . 4_566 ?
O17 K2 N6 86.1(13) . 4_566 ?
O16 K2 N6 69.5(13) . 4_566 ?
O18 K2 N6 98.8(13) . 4_566 ?
O19 K2 N6 117.6(13) . 4_566 ?
N5 K2 N6 165.5(15) . 4_566 ?
O20 K2 C32 42.4(8) . . ?
O15 K2 C32 20.8(8) . . ?
O17 K2 C32 138.8(10) . . ?
O16 K2 C32 77.6(9) . . ?
O18 K2 C32 161.7(10) . . ?
O19 K2 C32 101.3(9) . . ?
N5 K2 C32 92.3(12) . . ?
N6 K2 C32 83.2(12) 4_566 . ?
O23 K3 O24 60.1(14) . . ?
O23 K3 O26 176.2(14) . . ?
O24 K3 O26 118.1(14) . . ?
O23 K3 O21 120.4(14) . . ?
O24 K3 O21 176.6(14) . . ?
O26 K3 O21 61.2(13) . . ?
O23 K3 O25 118.3(14) . . ?
O24 K3 O25 59.8(13) . . ?
O26 K3 O25 60.8(13) . . ?
O21 K3 O25 120.4(14) . . ?
O23 K3 O22 59.1(13) . . ?
O24 K3 O22 117.5(14) . . ?
O26 K3 O22 121.7(14) . . ?
O21 K3 O22 62.3(13) . . ?
O25 K3 O22 177.2(14) . . ?
O23 K3 C38 43.0(13) . . ?
O24 K3 C38 21.1(12) . . ?
O26 K3 C38 136.1(14) . . ?
O21 K3 C38 160.9(14) . . ?
O25 K3 C38 75.4(13) . . ?
O22 K3 C38 102.0(13) . . ?
O23 K3 C33 103.1(14) . . ?
O24 K3 C33 159.5(14) . . ?
O26 K3 C33 78.0(13) . . ?
O21 K3 C33 19.1(11) . . ?
O25 K3 C33 138.6(14) . . ?
O22 K3 C33 44.1(12) . . ?
C38 K3 C33 145.9(13) . . ?
O23 K3 C44 141.6(14) . . ?
O24 K3 C44 155.7(14) . . ?
O26 K3 C44 39.4(13) . . ?
O21 K3 C44 22.7(11) . . ?
O25 K3 C44 100.1(13) . . ?
O22 K3 C44 82.5(13) . . ?
C38 K3 C44 175.4(13) . . ?
C33 K3 C44 38.6(12) . . ?
O23 K3 C37 20.7(12) . . ?
O24 K3 C37 39.8(13) . . ?
O26 K3 C37 156.8(14) . . ?
O21 K3 C37 140.4(13) . . ?
O25 K3 C37 99.1(13) . . ?
O22 K3 C37 78.2(13) . . ?
C38 K3 C37 25.5(4) . . ?
C33 K3 C37 122.1(13) . . ?
C44 K3 C37 159.0(12) . . ?
O32 K4 O31 59.7(12) . . ?
O32 K4 O28 119.7(12) . . ?
O31 K4 O28 176.8(12) . . ?
O32 K4 O29 170.3(12) . . ?
O31 K4 O29 118.2(13) . . ?
O28 K4 O29 61.7(12) . . ?
O32 K4 O30 120.5(12) . . ?
O31 K4 O30 61.0(12) . . ?
O28 K4 O30 119.8(12) . . ?
O29 K4 O30 59.2(12) . . ?
O32 K4 O27 59.9(11) . . ?
O31 K4 O27 118.0(12) . . ?
O28 K4 O27 60.7(10) . . ?
O29 K4 O27 118.8(12) . . ?
O30 K4 O27 171.6(12) . . ?
O32 K4 O7 71.2(10) . . ?
O31 K4 O7 89.7(11) . . ?
O28 K4 O7 93.0(10) . . ?
O29 K4 O7 118.5(11) . . ?
O30 K4 O7 104.6(11) . . ?
O27 K4 O7 83.6(9) . . ?
O32 K4 C53 43.4(11) . . ?
O31 K4 C53 21.1(10) . . ?
O28 K4 C53 160.1(12) . . ?
O29 K4 C53 137.0(12) . . ?
O30 K4 C53 77.9(12) . . ?
O27 K4 C53 103.3(11) . . ?
O7 K4 C53 72.3(11) . . ?
O32 K4 C45 78.6(11) . . ?
O31 K4 C45 138.3(12) . . ?
O28 K4 C45 41.1(10) . . ?
O29 K4 C45 102.4(12) . . ?
O30 K4 C45 160.7(12) . . ?
O27 K4 C45 22.0(9) . . ?
O7 K4 C45 78.1(10) . . ?
C53 K4 C45 120.5(11) . . ?
O32 K4 C48 162.9(12) . . ?
O31 K4 C48 137.4(12) . . ?
O28 K4 C48 43.3(11) . . ?
O29 K4 C48 21.0(11) . . ?
O30 K4 C48 76.5(11) . . ?
O27 K4 C48 103.6(11) . . ?
O7 K4 C48 104.5(11) . . ?
C53 K4 C48 152.4(11) . . ?
C45 K4 C48 84.3(11) . . ?
O33 K5 O35 115.5(14) . . ?
O33 K5 O36 162.9(17) . . ?
O35 K5 O36 61.3(15) . . ?
O33 K5 O37 120.8(17) . . ?
O35 K5 O37 121.8(17) . . ?
O36 K5 O37 60.5(18) . . ?
O33 K5 O38 61.0(15) . . ?
O35 K5 O38 160.3(16) . . ?
O36 K5 O38 115.7(17) . . ?
O37 K5 O38 60.1(17) . . ?
O33 K5 O34 57.0(14) . . ?
O35 K5 O34 58.5(12) . . ?
O36 K5 O34 116.6(17) . . ?
O37 K5 O34 164.9(16) . . ?
O38 K5 O34 114.0(16) . . ?
O33 K5 C59 75.6(16) . . ?
O35 K5 C59 42.2(9) . . ?
O36 K5 C59 103.5(16) . . ?
O37 K5 C59 163.5(18) . . ?
O38 K5 C59 136.0(18) . . ?
O34 K5 C59 23.9(14) . . ?
O33 K5 C65 100.1(16) . . ?
O35 K5 C65 139.1(15) . . ?
O36 K5 C65 78.7(17) . . ?
O37 K5 C65 21.3(14) . . ?
O38 K5 C65 39.1(15) . . ?
O34 K5 C65 148.8(18) . . ?
C59 K5 C65 172(2) . . ?
O33 K5 C62 154.9(16) . . ?
O35 K5 C62 40.3(10) . . ?
O36 K5 C62 22.5(14) . . ?
O37 K5 C62 81.7(18) . . ?
O38 K5 C62 138.0(18) . . ?
O34 K5 C62 98.3(16) . . ?
C59 K5 C62 82.0(16) . . ?
C65 K5 C62 100.9(17) . . ?
O33 K5 C64 139.2(15) . . ?
O35 K5 C64 98.7(15) . . ?
O36 K5 C64 37.6(16) . . ?
O37 K5 C64 24.0(14) . . ?
O38 K5 C64 79.2(15) . . ?
O34 K5 C64 147.5(17) . . ?
C59 K5 C64 140.9(15) . . ?
C65 K5 C64 41.1(8) . . ?
C62 K5 C64 59.8(16) . . ?
O33 K5 C66 77.1(15) . . ?
O35 K5 C66 164.9(15) . . ?
O36 K5 C66 104.2(17) . . ?
O37 K5 C66 44.2(15) . . ?
O38 K5 C66 20.2(11) . . ?
O34 K5 C66 132.9(15) . . ?
C59 K5 C66 152.2(15) . . ?
C65 K5 C66 25.9(4) . . ?
C62 K5 C66 125.9(16) . . ?
C64 K5 C66 66.6(10) . . ?
O33 K5 C58 42.8(13) . . ?
O35 K5 C58 74.9(12) . . ?
O36 K5 C58 135.9(16) . . ?
O37 K5 C58 163.3(17) . . ?
O38 K5 C58 103.7(14) . . ?
O34 K5 C58 21.7(8) . . ?
C59 K5 C58 33.2(13) . . ?
C65 K5 C58 142.8(15) . . ?
C62 K5 C58 115.0(15) . . ?
C64 K5 C58 168.9(18) . . ?
C66 K5 C58 119.1(14) . . ?
O40 K6 O40 180.0(8) . 3_566 ?
O40 K6 O39 119.1(8) . 3_566 ?
O40 K6 O39 60.9(8) 3_566 3_566 ?
O40 K6 O39 60.9(8) . . ?
O40 K6 O39 119.1(8) 3_566 . ?
O39 K6 O39 180.0(10) 3_566 . ?
O40 K6 O41 117.8(8) . 3_566 ?
O40 K6 O41 62.2(8) 3_566 3_566 ?
O39 K6 O41 121.8(7) 3_566 3_566 ?
O39 K6 O41 58.2(7) . 3_566 ?
O40 K6 O41 62.2(8) . . ?
O40 K6 O41 117.8(8) 3_566 . ?
O39 K6 O41 58.2(7) 3_566 . ?
O39 K6 O41 121.8(7) . . ?
O41 K6 O41 180.0(4) 3_566 . ?
O40 K6 N1 98.5(14) . 3_566 ?
O40 K6 N1 81.5(14) 3_566 3_566 ?
O39 K6 N1 87.3(13) 3_566 3_566 ?
O39 K6 N1 92.7(13) . 3_566 ?
O41 K6 N1 95.4(14) 3_566 3_566 ?
O41 K6 N1 84.6(14) . 3_566 ?
O40 K6 N1 81.5(14) . . ?
O40 K6 N1 98.5(14) 3_566 . ?
O39 K6 N1 92.7(13) 3_566 . ?
O39 K6 N1 87.3(13) . . ?
O41 K6 N1 84.6(14) 3_566 . ?
O41 K6 N1 95.4(14) . . ?
N1 K6 N1 180.0 3_566 . ?
O44 K7 O44 180(2) . 3_767 ?
O44 K7 O42 61.5(14) . 3_767 ?
O44 K7 O42 118.5(14) 3_767 3_767 ?
O44 K7 O42 118.5(14) . . ?
O44 K7 O42 61.5(14) 3_767 . ?
O42 K7 O42 180.0 3_767 . ?
O44 K7 O43 118.1(14) . 3_767 ?
O44 K7 O43 61.9(14) 3_767 3_767 ?
O42 K7 O43 58.5(13) 3_767 3_767 ?
O42 K7 O43 121.5(14) . 3_767 ?
O44 K7 O43 61.9(14) . . ?
O44 K7 O43 118.1(14) 3_767 . ?
O42 K7 O43 121.5(14) 3_767 . ?
O42 K7 O43 58.5(13) . . ?
O43 K7 O43 180.0 3_767 . ?
O44 K7 N3 95.8(13) . . ?
O44 K7 N3 84.2(13) 3_767 . ?
O42 K7 N3 85.6(13) 3_767 . ?
O42 K7 N3 94.4(13) . . ?
O43 K7 N3 66.6(13) 3_767 . ?
O43 K7 N3 113.4(13) . . ?
O44 K7 N3 84.2(13) . 3_767 ?
O44 K7 N3 95.8(13) 3_767 3_767 ?
O42 K7 N3 94.4(13) 3_767 3_767 ?
O42 K7 N3 85.6(13) . 3_767 ?
O43 K7 N3 113.4(13) 3_767 3_767 ?
O43 K7 N3 66.6(13) . 3_767 ?
N3 K7 N3 180.0 . 3_767 ?
O44 K7 C80 138.3(13) . 3_767 ?
O44 K7 C80 41.7(13) 3_767 3_767 ?
O42 K7 C80 156.8(12) 3_767 3_767 ?
O42 K7 C80 23.2(12) . 3_767 ?
O43 K7 C80 103.6(13) 3_767 3_767 ?
O43 K7 C80 76.4(13) . 3_767 ?
N3 K7 C80 101.0(13) . 3_767 ?
N3 K7 C80 79.0(13) 3_767 3_767 ?
O44 K7 C80 41.7(13) . . ?
O44 K7 C80 138.3(13) 3_767 . ?
O42 K7 C80 23.2(12) 3_767 . ?
O42 K7 C80 156.8(12) . . ?
O43 K7 C80 76.4(13) 3_767 . ?
O43 K7 C80 103.6(13) . . ?
N3 K7 C80 79.0(13) . . ?
N3 K7 C80 101.0(13) 3_767 . ?
C80 K7 C80 180.0(14) 3_767 . ?
O44 K7 C79 21.0(12) . . ?
O44 K7 C79 159.0(12) 3_767 . ?
O42 K7 C79 41.3(13) 3_767 . ?
O42 K7 C79 138.7(13) . . ?
O43 K7 C79 99.5(13) 3_767 . ?
O43 K7 C79 80.5(13) . . ?
N3 K7 C79 97.7(13) . . ?
N3 K7 C79 82.3(13) 3_767 . ?
C80 K7 C79 154.7(4) 3_767 . ?
C80 K7 C79 25.3(3) . . ?
O44 K7 C79 159.0(12) . 3_767 ?
O44 K7 C79 21.0(12) 3_767 3_767 ?
O42 K7 C79 138.7(13) 3_767 3_767 ?
O42 K7 C79 41.3(13) . 3_767 ?
O43 K7 C79 80.5(13) 3_767 3_767 ?
O43 K7 C79 99.5(13) . 3_767 ?
N3 K7 C79 82.3(13) . 3_767 ?
N3 K7 C79 97.6(13) 3_767 3_767 ?
C80 K7 C79 25.3(3) 3_767 3_767 ?
C80 K7 C79 154.7(4) . 3_767 ?
C79 K7 C79 180.0(17) . 3_767 ?
C9 O9 C20 111(4) . . ?
C9 O9 K1 114(3) . . ?
C20 O9 K1 112(3) . . ?
C11 O10 C10 120(4) . . ?
C11 O10 K1 110(3) . . ?
C10 O10 K1 112(3) . . ?
C12 O11 C13 106(4) . . ?
C12 O11 K1 119(3) . . ?
C13 O11 K1 116(3) . . ?
C15 O12 C14 115(4) . . ?
C15 O12 K1 118(3) . . ?
C14 O12 K1 109(3) . . ?
C17 O13 C16 115(4) . . ?
C17 O13 K1 108(3) . . ?
C16 O13 K1 111(3) . . ?
C18 O14 C19 107(4) . . ?
C18 O14 K1 119(3) . . ?
C19 O14 K1 121(3) . . ?
C32 O15 C21 110(3) . . ?
C32 O15 K2 114(2) . . ?
C21 O15 K2 122(2) . . ?
C22 O16 C23 108(3) . . ?
C22 O16 K2 114(2) . . ?
C23 O16 K2 114(2) . . ?
C24 O17 C25 110(3) . . ?
C24 O17 K2 115(3) . . ?
C25 O17 K2 116(3) . . ?
C27 O18 C26 110(3) . . ?
C27 O18 K2 109(3) . . ?
C26 O18 K2 111(3) . . ?
C29 O19 C28 105(3) . . ?
C29 O19 K2 113(2) . . ?
C28 O19 K2 113(2) . . ?
C30 O20 C31 110(3) . . ?
C30 O20 K2 120(2) . . ?
C31 O20 K2 118(2) . . ?
C33 O21 C44 121(5) . . ?
C33 O21 K3 112(4) . . ?
C44 O21 K3 107(3) . . ?
C35 O22 C34 116(5) . . ?
C35 O22 K3 110(4) . . ?
C34 O22 K3 107(3) . . ?
C36 O23 C37 115(5) . . ?
C36 O23 K3 121(4) . . ?
C37 O23 K3 116(4) . . ?
C38 O24 C39 106(4) . . ?
C38 O24 K3 109(4) . . ?
C39 O24 K3 113(4) . . ?
C40 O25 C41 105(4) . . ?
C40 O25 K3 115(4) . . ?
C41 O25 K3 112(4) . . ?
C43 O26 C42 108(5) . . ?
C43 O26 K3 120(4) . . ?
C42 O26 K3 113(4) . . ?
C45 O27 C56 116(4) . . ?
C45 O27 K4 105(3) . . ?
C56 O27 K4 112(3) . . ?
C47 O28 C46 109(3) . . ?
C47 O28 K4 112(3) . . ?
C46 O28 K4 117(3) . . ?
C48 O29 C49 109(4) . . ?
C48 O29 K4 113(3) . . ?
C49 O29 K4 114(3) . . ?
C50 O30 C51 104(4) . . ?
C50 O30 K4 122(3) . . ?
C51 O30 K4 113(3) . . ?
C53 O31 C52 109(4) . . ?
C53 O31 K4 110(3) . . ?
C52 O31 K4 116(3) . . ?
C54 O32 C55 111(4) . . ?
C54 O32 K4 121(3) . . ?
C55 O32 K4 125(3) . . ?
C57 O33 C68 123(4) . . ?
C57 O33 K5 120(3) . . ?
C68 O33 K5 114(4) . . ?
C59 O34 C58 94(4) . . ?
C59 O34 K5 93(4) . . ?
C58 O34 K5 101(4) . . ?
C60 O35 C61 114(4) . . ?
C60 O35 K5 114(3) . . ?
C61 O35 K5 113(4) . . ?
C63 O36 C62 118(6) . . ?
C63 O36 K5 114(6) . . ?
C62 O36 K5 104(5) . . ?
C65 O37 C64 126(6) . . ?
C65 O37 K5 103(6) . . ?
C64 O37 K5 102(5) . . ?
C67 O38 C66 107(5) . . ?
C67 O38 K5 118(4) . . ?
C66 O38 K5 110(5) . . ?
C74 O39 C69 109(2) 3_566 . ?
C74 O39 K6 115(2) 3_566 . ?
C69 O39 K6 108.3(19) . . ?
C71 O40 C70 110(3) . . ?
C71 O40 K6 117(2) . . ?
C70 O40 K6 121(2) . . ?
C73 O41 C72 110(3) . . ?
C73 O41 K6 117(2) . . ?
C72 O41 K6 109(2) . . ?
C75 O42 C80 109(4) . 3_767 ?
C75 O42 K7 112(4) . . ?
C80 O42 K7 107(3) 3_767 . ?
C76 O43 C77 106(4) . . ?
C76 O43 K7 121(4) . . ?
C77 O43 K7 110(3) . . ?
C79 O44 C78 111(4) . . ?
C79 O44 K7 114(4) . . ?
C78 O44 K7 114(3) . . ?
C81 N1 K6 105(5) . . ?
C83 N3 K7 127(4) . . ?
C85 N5 K2 125(4) . . ?
C86 N6 K2 136(4) . 4_565 ?
O9 C9 C10 117(5) . . ?
O10 C10 C9 106(4) . . ?
O10 C11 C12 107(4) . . ?
O10 C11 K1 50(3) . . ?
C12 C11 K1 80(3) . . ?
O11 C12 C11 106(4) . . ?
O11 C13 C14 101(4) . . ?
O12 C14 C13 114(4) . . ?
O12 C15 C16 107(4) . . ?
O13 C16 C15 111(4) . . ?
O13 C17 C18 102(4) . . ?
O14 C18 C17 108(4) . . ?
O14 C19 C20 100(4) . . ?
O9 C20 C19 110(4) . . ?
O15 C21 C22 107(3) . . ?
O16 C22 C21 108(3) . . ?
O16 C23 C24 106(4) . . ?
O17 C24 C23 109(4) . . ?
O17 C25 C26 99(4) . . ?
O18 C26 C25 102(4) . . ?
O18 C27 C28 111(4) . . ?
O19 C28 C27 103(3) . . ?
O19 C29 C30 104(3) . . ?
O20 C30 C29 113(3) . . ?
O20 C31 C32 107(3) . . ?
O15 C32 C31 111(3) . . ?
O15 C32 K2 45.0(18) . . ?
C31 C32 K2 80(2) . . ?
O21 C33 C34 117(6) . . ?
O21 C33 K3 49(3) . . ?
C34 C33 K3 80(3) . . ?
O22 C34 C33 115(5) . . ?
O22 C35 C36 109(5) . . ?
O23 C36 C35 112(5) . . ?
O23 C37 C38 106(5) . . ?
O23 C37 K3 43(3) . . ?
C38 C37 K3 74(3) . . ?
O24 C38 C37 104(5) . . ?
O24 C38 K3 49(3) . . ?
C37 C38 K3 80(3) . . ?
O24 C39 C40 112(5) . . ?
O25 C40 C39 102(5) . . ?
O25 C41 C42 108(5) . . ?
O26 C42 C41 113(5) . . ?
O26 C43 C44 106(5) . . ?
O21 C44 C43 119(5) . . ?
O21 C44 K3 50(3) . . ?
C43 C44 K3 80(3) . . ?
O27 C45 C46 111(4) . . ?
O27 C45 K4 53(2) . . ?
C46 C45 K4 84(3) . . ?
O28 C46 C45 99(4) . . ?
O28 C47 C48 107(4) . . ?
O29 C48 C47 103(4) . . ?
O29 C48 K4 46(3) . . ?
C47 C48 K4 78(3) . . ?
O29 C49 C50 115(5) . . ?
O30 C50 C49 99(4) . . ?
O30 C51 C52 104(4) . . ?
O31 C52 C51 109(5) . . ?
O31 C53 C54 108(4) . . ?
O31 C53 K4 49(3) . . ?
C54 C53 K4 83(3) . . ?
O32 C54 C53 108(4) . . ?
O32 C55 C56 112(4) . . ?
O27 C56 C55 110(4) . . ?
O33 C57 C58 104(5) . . ?
O33 C57 C68 27.1(17) . . ?
C58 C57 C68 131(5) . . ?
O34 C58 C57 108(5) . . ?
O34 C58 K5 57(4) . . ?
C57 C58 K5 89(4) . . ?
O34 C59 C60 102(5) . . ?
O34 C59 K5 63(4) . . ?
C60 C59 K5 89(3) . . ?
O35 C60 C59 100(4) . . ?
O35 C61 C62 96(4) . . ?
O36 C62 C61 115(7) . . ?
O36 C62 K5 53(4) . . ?
C61 C62 K5 85(4) . . ?
O36 C63 C64 95(6) . . ?
O37 C64 C63 115(7) . . ?
O37 C64 K5 54(4) . . ?
C63 C64 K5 82(4) . . ?
O37 C65 C66 123(8) . . ?
O37 C65 K5 56(5) . . ?
C66 C65 K5 82(4) . . ?
O38 C66 C65 97(6) . . ?
O38 C66 K5 49(4) . . ?
C65 C66 K5 72(4) . . ?
O38 C67 C68 112(6) . . ?
O33 C68 C67 126(6) . . ?
O33 C68 C57 30(3) . . ?
C67 C68 C57 156(5) . . ?
O39 C69 C70 105(3) . . ?
O40 C70 C69 101(3) . . ?
O40 C71 C72 108(3) . . ?
O41 C72 C71 108(3) . . ?
O41 C73 C74 104(3) . . ?
O39 C74 C73 110(3) 3_566 . ?
O42 C75 C76 111(5) . . ?
O43 C76 C75 99(5) . . ?
O43 C77 C78 105(5) . . ?
C77 C78 O44 101(5) . . ?
O44 C79 C80 105(5) . . ?
O44 C79 K7 45(3) . . ?
C80 C79 K7 76(3) . . ?
O42 C80 C79 103(5) 3_767 . ?
O42 C80 K7 50(3) 3_767 . ?
C79 C80 K7 79(3) . . ?
N1 C81 C82 109(6) . . ?
N2 C82 C81 123(7) . . ?
N3 C83 C84 109(4) . . ?
N4 C84 C83 111(5) . . ?
N5 C85 C86 120(6) . . ?
N6 C86 C85 137(6) . . ?
C88 C87 C92 120.0 . . ?
C87 C88 C89 120.0 . . ?
C88 C89 C90 120.0 . . ?
C89 C90 C91 120.0 . . ?
C92 C91 C90 120.0 . . ?
C91 C92 C87 120.0 . . ?
C91 C92 C93 120(3) . . ?
C87 C92 C93 120(3) . . ?
C95 C94 C99 120.0 . . ?
C96 C95 C94 120.0 . . ?
C95 C96 C97 120.0 . . ?
C96 C97 C98 120.0 . . ?
C99 C98 C97 120.0 . . ?
C98 C99 C94 120.0 . . ?
C98 C99 C100 107(4) . . ?
C94 C99 C100 133(4) . . ?

_refine_diff_density_max         1.371
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.182



