#------------------------------------------------------------------------------
#$Date: 2023-07-12 02:08:48 +0300 (Wed, 12 Jul 2023) $
#$Revision: 285165 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/34/7713437.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7713437
loop_
_publ_author_name
'Navaneetha, Tokala'
'Ugandhar, Uppara'
'Samuel, Calvin'
'Guizouarn, Thierry'
'Pointillart, Fabrice'
'Raghunathan, Rajamani'
'Baskar, Viswanathan'
_publ_section_title
;
 Tunable bandgaps in self-assembled transition metal-incorporated
 heterometallic M₂Sb₄ (M = V, Mn, Co, Ni, and Cu)
 oxo clusters.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9328
_journal_page_last               9336
_journal_paper_doi               10.1039/d3dt01000g
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C66 H102 N2 Ni2 O20 P4 Sb4, 2(C H4 O)'
_chemical_formula_sum            'C68 H110 N2 Ni2 O22 P4 Sb4'
_chemical_formula_weight         2035.87
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-11-15
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_audit_update_record
;
2022-06-08 deposited with the CCDC.	2023-06-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.427(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.249(3)
_cell_length_b                   20.009(3)
_cell_length_c                   16.163(2)
_cell_measurement_reflns_used    5591
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.14
_cell_measurement_theta_min      2.52
_cell_volume                     8163.1(19)
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            43172
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.388
_diffrn_reflns_theta_min         1.299
_exptl_absorpt_coefficient_mu    1.904
_exptl_absorpt_correction_T_max  0.8034
_exptl_absorpt_correction_T_min  0.7504
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.0595 before and 0.0335 after correction.
The Ratio of minimum to maximum transmission is 0.8291.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_description       block
_exptl_crystal_F_000             4112
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.136
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         8334
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0419P)²+15.5094P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0873
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7315
_reflns_number_total             8334
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01000g2.cif
_cod_data_source_block           compound4
_cod_original_cell_volume        8163.4(18)
_cod_database_code               7713437
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.804
_shelx_estimated_absorpt_t_min   0.750
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7), C16(H16)
2.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C23(H23), C3(H3), C19(H19), C12(H12), C21(H21), C6(H6), C2(H2),
 C5(H5), C22(H22), C20(H20), C15(H15), C14(H14)
2.c Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C32(H32A,H32B,H32C), C31(H31A,H31B,H31C), C27(H27A,H27B,
 H27C), C9(H9A,H9B,H9C), C30(H30A,H30B,H30C), C33(H33A,H33B,H33C), C25(H25A,
 H25B,H25C), C29(H29A,H29B,H29C), C8(H8A,H8B,H8C), C17(H17A,H17B,H17C),
 C18(H18A,H18B,H18C), C34(H34A,H34B,H34C)
2.d Idealised tetrahedral OH refined as rotating group:
 O11(H11A)
;
_olex2_submission_special_instructions 'No special instructions were received'
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'
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
Sb2 Sb 0.72665(2) 0.21716(2) 0.65092(2) 0.01856(7) Uani 1 1 d . . . . .
Sb1 Sb 0.65590(2) 0.30191(2) 0.47845(2) 0.01921(7) Uani 1 1 d . . . . .
Ni1 Ni 0.82410(2) 0.31729(2) 0.64598(3) 0.02015(11) Uani 1 1 d . . . . .
P1 P 0.76166(4) 0.39991(5) 0.49310(6) 0.0195(2) Uani 1 1 d . . . . .
P2 P 0.65747(4) 0.32195(5) 0.28338(6) 0.0213(2) Uani 1 1 d . . . . .
O2 O 0.67458(9) 0.26478(13) 0.58479(14) 0.0204(5) Uani 1 1 d . . . . .
O9 O 0.71816(9) 0.33553(13) 0.28019(15) 0.0212(5) Uani 1 1 d . . . . .
O3 O 0.71425(9) 0.25793(12) 0.42056(14) 0.0185(5) Uani 1 1 d . . . . .
O4 O 0.70192(9) 0.38236(12) 0.49990(15) 0.0206(5) Uani 1 1 d . . . . .
O5 O 0.75333(10) 0.30100(12) 0.70851(15) 0.0224(6) Uani 1 1 d . . . . .
O1 O 0.61904(10) 0.21775(13) 0.43519(15) 0.0227(6) Uani 1 1 d . . . . .
O8 O 0.63638(9) 0.34606(13) 0.36735(15) 0.0227(6) Uani 1 1 d . . . . .
O7 O 0.78525(9) 0.36582(12) 0.41628(15) 0.0211(5) Uani 1 1 d . . . . .
O10 O 0.64484(10) 0.24954(13) 0.26742(15) 0.0253(6) Uani 1 1 d . . . . .
O6 O 0.79323(10) 0.38745(13) 0.57075(15) 0.0229(6) Uani 1 1 d . . . . .
N1 N 0.86491(12) 0.39140(16) 0.71007(19) 0.0257(7) Uani 1 1 d . . . . .
C24 C 0.76323(15) 0.48825(18) 0.4699(2) 0.0239(8) Uani 1 1 d . . . . .
C10 C 0.67022(14) 0.19259(18) 0.7405(2) 0.0214(8) Uani 1 1 d . . . . .
C26 C 0.82171(16) 0.5100(2) 0.4675(3) 0.0329(9) Uani 1 1 d . . . . .
H26A H 0.838476 0.503759 0.522255 0.049 Uiso 1 1 calc GR . . . .
H26B H 0.823680 0.557167 0.451693 0.049 Uiso 1 1 calc GR . . . .
H26C H 0.840185 0.482745 0.426825 0.049 Uiso 1 1 calc GR . . . .
C1 C 0.58711(14) 0.34618(18) 0.5255(2) 0.0216(8) Uani 1 1 d . . . . .
C11 C 0.68431(16) 0.1671(2) 0.8172(2) 0.0314(9) Uani 1 1 d . . . . .
H11 H 0.720478 0.157489 0.829716 0.038 Uiso 1 1 calc R . . . .
C7 C 0.44575(16) 0.4365(2) 0.6207(3) 0.0319(9) Uani 1 1 d . . . . .
H7 H 0.456050 0.459946 0.673351 0.038 Uiso 1 1 calc R . . . .
C32 C 0.59180(16) 0.1738(2) 0.4886(2) 0.0294(9) Uani 1 1 d . . . . .
H32A H 0.617213 0.153080 0.527617 0.044 Uiso 1 1 calc GR . . . .
H32B H 0.573960 0.138930 0.455693 0.044 Uiso 1 1 calc GR . . . .
H32C H 0.565469 0.199019 0.519346 0.044 Uiso 1 1 calc GR . . . .
C31 C 0.64328(16) 0.3495(2) 0.1200(2) 0.0294(9) Uani 1 1 d . . . . .
H31A H 0.681874 0.352743 0.116268 0.044 Uiso 1 1 calc GR . . . .
H31B H 0.626410 0.376993 0.076700 0.044 Uiso 1 1 calc GR . . . .
H31C H 0.632375 0.302785 0.112667 0.044 Uiso 1 1 calc GR . . . .
O11 O 0.68477(17) 0.1735(2) 0.1241(3) 0.0659(11) Uani 1 1 d . . . . .
H11A H 0.676679 0.197420 0.164584 0.099 Uiso 1 1 calc GR . . . .
C23 C 0.84806(17) 0.4544(2) 0.7110(2) 0.0325(9) Uani 1 1 d . . . . .
H23 H 0.816128 0.465082 0.681636 0.039 Uiso 1 1 calc R . . . .
C28 C 0.62635(14) 0.3743(2) 0.2052(2) 0.0248(8) Uani 1 1 d . . . . .
C27 C 0.73612(17) 0.5009(2) 0.3855(3) 0.0334(10) Uani 1 1 d . . . . .
H27A H 0.755086 0.476731 0.342566 0.050 Uiso 1 1 calc GR . . . .
H27B H 0.736572 0.548883 0.373294 0.050 Uiso 1 1 calc GR . . . .
H27C H 0.699384 0.485199 0.386511 0.050 Uiso 1 1 calc GR . . . .
C3 C 0.54341(15) 0.4107(2) 0.6294(2) 0.0306(9) Uani 1 1 d . . . . .
H3 H 0.545591 0.435955 0.679104 0.037 Uiso 1 1 calc R . . . .
C4 C 0.49484(15) 0.4026(2) 0.5892(2) 0.0266(8) Uani 1 1 d . . . . .
C19 C 0.90931(17) 0.3777(2) 0.7528(3) 0.0377(10) Uani 1 1 d . . . . .
H19 H 0.921987 0.332978 0.753677 0.045 Uiso 1 1 calc R . . . .
C9 C 0.42531(17) 0.4889(2) 0.5605(3) 0.0349(10) Uani 1 1 d . . . . .
H9A H 0.452835 0.522576 0.552224 0.052 Uiso 1 1 calc GR . . . .
H9B H 0.393841 0.510331 0.582877 0.052 Uiso 1 1 calc GR . . . .
H9C H 0.416012 0.467666 0.507484 0.052 Uiso 1 1 calc GR . . . .
C13 C 0.59322(16) 0.1687(2) 0.8606(3) 0.0329(10) Uani 1 1 d . . . . .
C12 C 0.64644(17) 0.1552(2) 0.8766(3) 0.0373(11) Uani 1 1 d . . . . .
H12 H 0.657196 0.137519 0.928892 0.045 Uiso 1 1 calc R . . . .
C21 C 0.92032(19) 0.4901(3) 0.7959(3) 0.0439(12) Uani 1 1 d . . . . .
H21 H 0.939389 0.523962 0.825128 0.053 Uiso 1 1 calc R . . . .
C30 C 0.64279(16) 0.4476(2) 0.2171(2) 0.0313(9) Uani 1 1 d . . . . .
H30A H 0.630926 0.463475 0.270901 0.047 Uiso 1 1 calc GR . . . .
H30B H 0.626497 0.474823 0.172962 0.047 Uiso 1 1 calc GR . . . .
H30C H 0.681436 0.451238 0.214971 0.047 Uiso 1 1 calc GR . . . .
C6 C 0.53850(15) 0.3369(2) 0.4845(2) 0.0279(9) Uani 1 1 d . . . . .
H6 H 0.536482 0.311823 0.434674 0.033 Uiso 1 1 calc R . . . .
C33 C 0.71781(17) 0.3537(2) 0.7270(3) 0.0341(10) Uani 1 1 d . . . . .
H33A H 0.711255 0.380792 0.677265 0.051 Uiso 1 1 calc GR . . . .
H33B H 0.733383 0.381736 0.770905 0.051 Uiso 1 1 calc GR . . . .
H33C H 0.684286 0.334841 0.745451 0.051 Uiso 1 1 calc GR . . . .
C2 C 0.58932(15) 0.3822(2) 0.5981(2) 0.0302(9) Uani 1 1 d . . . . .
H2 H 0.622228 0.387746 0.627121 0.036 Uiso 1 1 calc R . . . .
C25 C 0.73494(17) 0.5270(2) 0.5372(3) 0.0339(10) Uani 1 1 d . . . . .
H25A H 0.697691 0.513350 0.537983 0.051 Uiso 1 1 calc GR . . . .
H25B H 0.737075 0.575019 0.525651 0.051 Uiso 1 1 calc GR . . . .
H25C H 0.751915 0.517594 0.591132 0.051 Uiso 1 1 calc GR . . . .
C5 C 0.49283(15) 0.3646(2) 0.5170(3) 0.0302(9) Uani 1 1 d . . . . .
H5 H 0.459686 0.357421 0.489296 0.036 Uiso 1 1 calc R . . . .
C29 C 0.56575(15) 0.3682(3) 0.2121(3) 0.0386(11) Uani 1 1 d . . . . .
H29A H 0.555172 0.321465 0.204029 0.058 Uiso 1 1 calc GR . . . .
H29B H 0.548335 0.396036 0.169600 0.058 Uiso 1 1 calc GR . . . .
H29C H 0.555208 0.383184 0.267002 0.058 Uiso 1 1 calc GR . . . .
C22 C 0.87455(19) 0.5048(2) 0.7525(3) 0.0422(11) Uani 1 1 d . . . . .
H22 H 0.861256 0.549172 0.750993 0.051 Uiso 1 1 calc R . . . .
C16 C 0.55118(17) 0.1557(3) 0.9245(3) 0.0405(11) Uani 1 1 d . . . . .
H16 H 0.517605 0.176826 0.903334 0.049 Uiso 1 1 calc R . . . .
C20 C 0.93769(18) 0.4260(3) 0.7959(3) 0.0459(12) Uani 1 1 d . . . . .
H20 H 0.969316 0.414353 0.825520 0.055 Uiso 1 1 calc R . . . .
C8 C 0.40272(18) 0.3864(2) 0.6409(3) 0.0462(12) Uani 1 1 d . . . . .
H8A H 0.390521 0.363966 0.590024 0.069 Uiso 1 1 calc GR . . . .
H8B H 0.372924 0.409759 0.665723 0.069 Uiso 1 1 calc GR . . . .
H8C H 0.416974 0.353143 0.680033 0.069 Uiso 1 1 calc GR . . . .
C15 C 0.61673(17) 0.2056(3) 0.7243(3) 0.0439(12) Uani 1 1 d . . . . .
H15 H 0.605746 0.222910 0.671902 0.053 Uiso 1 1 calc R . . . .
C14 C 0.57963(17) 0.1936(3) 0.7836(3) 0.0457(13) Uani 1 1 d . . . . .
H14 H 0.543431 0.202791 0.770922 0.055 Uiso 1 1 calc R . . . .
C17 C 0.5649(2) 0.1877(3) 1.0071(3) 0.0490(13) Uani 1 1 d . . . . .
H17A H 0.596311 0.165875 1.031647 0.073 Uiso 1 1 calc GR . . . .
H17B H 0.535070 0.182689 1.044214 0.073 Uiso 1 1 calc GR . . . .
H17C H 0.572300 0.235324 0.999002 0.073 Uiso 1 1 calc GR . . . .
C18 C 0.5405(2) 0.0812(3) 0.9336(4) 0.0694(18) Uani 1 1 d . . . . .
H18A H 0.529475 0.062605 0.879828 0.104 Uiso 1 1 calc GR . . . .
H18B H 0.512284 0.074432 0.973331 0.104 Uiso 1 1 calc GR . . . .
H18C H 0.572824 0.058743 0.953609 0.104 Uiso 1 1 calc GR . . . .
C34 C 0.7257(3) 0.2040(3) 0.0812(4) 0.0695(17) Uani 1 1 d . . . . .
H34A H 0.711442 0.241917 0.049393 0.104 Uiso 1 1 calc GR . . . .
H34B H 0.741294 0.171589 0.043487 0.104 Uiso 1 1 calc GR . . . .
H34C H 0.752909 0.219875 0.120758 0.104 Uiso 1 1 calc GR . . . .
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'
Ni Ni 0.3393 1.1124 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Sb2 O9 178.68(11) . 7_656 ?
O2 Sb2 O3 93.78(10) . 7_656 ?
O2 Sb2 O5 93.44(10) . . ?
O2 Sb2 O7 91.03(11) . 7_656 ?
O2 Sb2 C10 91.86(12) . . ?
O9 Sb2 C10 88.23(12) 7_656 . ?
O3 Sb2 O9 86.24(9) 7_656 7_656 ?
O3 Sb2 O5 79.18(10) 7_656 . ?
O3 Sb2 O7 89.84(10) 7_656 7_656 ?
O3 Sb2 C10 172.63(12) 7_656 . ?
O5 Sb2 O9 87.87(10) . 7_656 ?
O5 Sb2 C10 95.75(12) . . ?
O7 Sb2 O9 87.65(10) 7_656 7_656 ?
O7 Sb2 O5 168.39(10) 7_656 . ?
O7 Sb2 C10 94.81(12) 7_656 . ?
O2 Sb1 O3 94.72(10) . . ?
O2 Sb1 O4 91.57(10) . . ?
O2 Sb1 O1 95.00(11) . . ?
O2 Sb1 O8 177.23(11) . . ?
O2 Sb1 C1 91.48(12) . . ?
O3 Sb1 O4 90.21(10) . . ?
O3 Sb1 O1 78.98(10) . . ?
O3 Sb1 O8 86.72(10) . . ?
O3 Sb1 C1 172.09(12) . . ?
O4 Sb1 O1 167.76(10) . . ?
O4 Sb1 O8 86.06(10) . . ?
O4 Sb1 C1 94.54(12) . . ?
O1 Sb1 O8 87.59(10) . . ?
O1 Sb1 C1 95.60(13) . . ?
O8 Sb1 C1 87.29(12) . . ?
O3 Ni1 O5 75.24(9) 7_656 . ?
O3 Ni1 O1 75.54(9) 7_656 7_656 ?
O3 Ni1 O10 92.63(10) 7_656 7_656 ?
O1 Ni1 O5 148.87(10) 7_656 . ?
O10 Ni1 O5 83.52(10) 7_656 . ?
O10 Ni1 O1 87.32(10) 7_656 7_656 ?
O6 Ni1 O3 91.39(10) . 7_656 ?
O6 Ni1 O5 94.47(10) . . ?
O6 Ni1 O1 96.73(10) . 7_656 ?
O6 Ni1 O10 174.90(10) . 7_656 ?
O6 Ni1 N1 89.03(11) . . ?
N1 Ni1 O3 177.87(11) . 7_656 ?
N1 Ni1 O5 106.82(11) . . ?
N1 Ni1 O1 102.33(11) . 7_656 ?
N1 Ni1 O10 87.08(12) . 7_656 ?
O4 P1 C24 105.18(16) . . ?
O7 P1 O4 110.50(14) . . ?
O7 P1 C24 104.70(16) . . ?
O6 P1 O4 113.70(14) . . ?
O6 P1 O7 113.15(14) . . ?
O6 P1 C24 108.89(17) . . ?
O9 P2 C28 106.67(16) . . ?
O8 P2 O9 109.56(14) . . ?
O8 P2 C28 106.24(16) . . ?
O10 P2 O9 111.51(15) . . ?
O10 P2 O8 112.00(15) . . ?
O10 P2 C28 110.58(17) . . ?
Sb1 O2 Sb2 146.83(13) . . ?
P2 O9 Sb2 123.17(14) . 7_656 ?
Sb2 O3 Ni1 103.27(10) 7_656 7_656 ?
Sb1 O3 Sb2 138.56(13) . 7_656 ?
Sb1 O3 Ni1 103.00(10) . 7_656 ?
P1 O4 Sb1 136.55(15) . . ?
Sb2 O5 Ni1 100.64(10) . . ?
C33 O5 Sb2 120.4(2) . . ?
C33 O5 Ni1 122.4(2) . . ?
Sb1 O1 Ni1 100.23(11) . 7_656 ?
C32 O1 Sb1 121.8(2) . . ?
C32 O1 Ni1 121.6(2) . 7_656 ?
P2 O8 Sb1 123.60(14) . . ?
P1 O7 Sb2 138.10(15) . 7_656 ?
P2 O10 Ni1 115.46(15) . 7_656 ?
P1 O6 Ni1 145.11(17) . . ?
C23 N1 Ni1 122.0(3) . . ?
C19 N1 Ni1 121.0(3) . . ?
C19 N1 C23 117.1(4) . . ?
C26 C24 P1 107.9(3) . . ?
C27 C24 P1 109.5(3) . . ?
C27 C24 C26 109.7(3) . . ?
C25 C24 P1 109.7(3) . . ?
C25 C24 C26 109.9(3) . . ?
C25 C24 C27 110.1(3) . . ?
C11 C10 Sb2 122.6(3) . . ?
C11 C10 C15 117.7(4) . . ?
C15 C10 Sb2 119.6(3) . . ?
C6 C1 Sb1 119.8(3) . . ?
C2 C1 Sb1 120.7(3) . . ?
C2 C1 C6 119.4(3) . . ?
C10 C11 C12 121.1(4) . . ?
C4 C7 C8 111.9(4) . . ?
C9 C7 C4 111.3(3) . . ?
C9 C7 C8 111.2(4) . . ?
N1 C23 C22 123.3(4) . . ?
C31 C28 P2 108.3(3) . . ?
C31 C28 C30 109.9(3) . . ?
C31 C28 C29 109.8(3) . . ?
C30 C28 P2 110.8(3) . . ?
C30 C28 C29 109.4(3) . . ?
C29 C28 P2 108.6(3) . . ?
C4 C3 C2 121.1(4) . . ?
C3 C4 C7 120.9(4) . . ?
C3 C4 C5 118.1(3) . . ?
C5 C4 C7 121.0(4) . . ?
N1 C19 C20 122.5(4) . . ?
C12 C13 C16 122.0(4) . . ?
C14 C13 C12 117.2(4) . . ?
C14 C13 C16 120.9(4) . . ?
C13 C12 C11 121.1(4) . . ?
C20 C21 C22 118.1(4) . . ?
C1 C6 C5 119.8(4) . . ?
C1 C2 C3 120.3(4) . . ?
C4 C5 C6 121.3(4) . . ?
C21 C22 C23 119.2(5) . . ?
C13 C16 C18 111.2(4) . . ?
C17 C16 C13 112.2(4) . . ?
C17 C16 C18 111.5(4) . . ?
C21 C20 C19 119.9(5) . . ?
C14 C15 C10 120.6(4) . . ?
C13 C14 C15 122.3(4) . . ?
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
Sb2 O2 1.926(2) . ?
Sb2 O9 2.053(2) 7_656 ?
Sb2 O3 1.974(2) 7_656 ?
Sb2 O5 2.025(3) . ?
Sb2 O7 2.003(2) 7_656 ?
Sb2 C10 2.114(4) . ?
Sb1 O2 1.921(2) . ?
Sb1 O3 1.972(2) . ?
Sb1 O4 2.010(2) . ?
Sb1 O1 2.039(3) . ?
Sb1 O8 2.050(2) . ?
Sb1 C1 2.108(3) . ?
Ni1 O3 2.076(3) 7_656 ?
Ni1 O5 2.100(3) . ?
Ni1 O1 2.090(2) 7_656 ?
Ni1 O10 2.076(3) 7_656 ?
Ni1 O6 2.002(2) . ?
Ni1 N1 2.069(3) . ?
P1 O4 1.555(3) . ?
P1 O7 1.549(2) . ?
P1 O6 1.491(3) . ?
P1 C24 1.808(4) . ?
P2 O9 1.558(2) . ?
P2 O8 1.547(3) . ?
P2 O10 1.505(3) . ?
P2 C28 1.805(4) . ?
O5 C33 1.420(4) . ?
O1 C32 1.422(4) . ?
N1 C23 1.330(5) . ?
N1 C19 1.331(5) . ?
C24 C26 1.541(5) . ?
C24 C27 1.533(5) . ?
C24 C25 1.527(5) . ?
C10 C11 1.379(5) . ?
C10 C15 1.394(5) . ?
C1 C6 1.392(5) . ?
C1 C2 1.378(5) . ?
C11 C12 1.392(5) . ?
C7 C4 1.513(5) . ?
C7 C9 1.512(6) . ?
C7 C8 1.520(6) . ?
C31 C28 1.535(5) . ?
O11 C34 1.399(7) . ?
C23 C22 1.375(6) . ?
C28 C30 1.535(6) . ?
C28 C29 1.542(5) . ?
C3 C4 1.383(6) . ?
C3 C2 1.397(5) . ?
C4 C5 1.393(6) . ?
C19 C20 1.382(6) . ?
C13 C12 1.388(6) . ?
C13 C16 1.521(5) . ?
C13 C14 1.376(6) . ?
C21 C22 1.368(7) . ?
C21 C20 1.356(7) . ?
C6 C5 1.393(5) . ?
C16 C17 1.514(7) . ?
C16 C18 1.522(7) . ?
C15 C14 1.378(6) . ?
