#------------------------------------------------------------------------------
#$Date: 2023-07-12 02:08:48 +0300 (Wed, 12 Jul 2023) $
#$Revision: 285165 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/34/7713438.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_7713438
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 Mn2 N2 O20 P4 Sb4, 2(C H4 O)'
_chemical_formula_sum            'C68 H110 Mn2 N2 O22 P4 Sb4'
_chemical_formula_weight         2028.33
_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                 91.123(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.252(3)
_cell_length_b                   20.379(3)
_cell_length_c                   16.0757(18)
_cell_measurement_reflns_used    9185
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.99
_cell_measurement_theta_min      2.37
_cell_volume                     8271.1(18)
_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 0.995
_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  0.0437
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            43796
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.419
_diffrn_reflns_theta_min         1.284
_exptl_absorpt_coefficient_mu    1.730
_exptl_absorpt_correction_T_max  0.8064
_exptl_absorpt_correction_T_min  0.7693
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS v 2.10 (Bruker, 2003) was used for absorption correction.'
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4088
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.172
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         8474
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0363P)²+30.0788P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0817
_refine_ls_wR_factor_ref         0.0837
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7761
_reflns_number_total             8474
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01000g2.cif
_cod_data_source_block           compound2
_cod_original_cell_volume        8271.1(16)
_cod_database_code               7713438
_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   0.806
_shelx_estimated_absorpt_t_min   0.769
_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:
 C16(H16), C7(H7)
2.b Aromatic/amide H refined with riding coordinates:
 C14(H14), C11(H11), C12(H12), C15(H15), C6(H6), C23(H23), C5(H5), C2(H2),
 C3(H3), C19(H19), C22(H22), C21(H21), C20(H20)
2.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C31(H31A,H31B,H31C), C29(H29A,H29B,H29C), C27(H27A,H27B,
 H27C), C33(H33A,H33B,H33C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C26(H26A,
 H26B,H26C), C32(H32A,H32B,H32C), C30(H30A,H30B,H30C), C9(H9A,H9B,H9C), C8(H8A,
 H8B,H8C), 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 0.65665(2) 0.80238(2) 0.47934(2) 0.01521(7) Uani 1 1 d . . . . .
Sb1 Sb 0.72651(2) 0.71670(2) 0.65088(2) 0.01504(7) Uani 1 1 d . . . . .
Mn1 Mn 0.67405(2) 0.67681(3) 0.35109(3) 0.01857(12) Uani 1 1 d . . . . .
P1 P 0.84319(3) 0.67984(5) 0.71855(6) 0.01823(19) Uani 1 1 d . . . . .
P2 P 0.73858(3) 0.59861(4) 0.50863(6) 0.01699(18) Uani 1 1 d . . . . .
O5 O 0.67456(9) 0.76498(12) 0.58627(14) 0.0175(5) Uani 1 1 d . . . . .
O1 O 0.61860(9) 0.72041(12) 0.43972(15) 0.0192(5) Uani 1 1 d . . . . .
O7 O 0.78239(9) 0.66721(12) 0.72126(15) 0.0189(5) Uani 1 1 d . . . . .
O6 O 0.75123(9) 0.79878(12) 0.70971(15) 0.0197(5) Uani 1 1 d . . . . .
O4 O 0.71393(9) 0.63482(12) 0.58365(15) 0.0184(5) Uani 1 1 d . . . . .
O8 O 0.79744(9) 0.61816(12) 0.49945(15) 0.0195(5) Uani 1 1 d . . . . .
O2 O 0.71483(8) 0.75939(12) 0.42137(14) 0.0167(5) Uani 1 1 d . . . . .
O9 O 0.86413(9) 0.65678(12) 0.63339(15) 0.0195(5) Uani 1 1 d . . . . .
O10 O 0.85688(9) 0.75039(13) 0.73668(15) 0.0221(5) Uani 1 1 d . . . . .
O3 O 0.70670(9) 0.60671(12) 0.42981(15) 0.0222(5) Uani 1 1 d . . . . .
N1 N 0.62850(14) 0.60037(17) 0.2822(2) 0.0321(8) Uani 1 1 d . . . . .
C1 C 0.66998(14) 0.69091(17) 0.7401(2) 0.0197(7) Uani 1 1 d . . . . .
C10 C 0.58877(13) 0.84790(17) 0.5267(2) 0.0179(7) Uani 1 1 d . . . . .
C16 C 0.44769(14) 0.93916(19) 0.6235(2) 0.0248(8) Uani 1 1 d . . . . .
H16 H 0.458279 0.963256 0.675375 0.030 Uiso 1 1 calc R . . . .
C24 C 0.73814(14) 0.51277(17) 0.5368(2) 0.0221(8) Uani 1 1 d . . . . .
C13 C 0.49664(14) 0.90544(18) 0.5910(2) 0.0221(8) Uani 1 1 d . . . . .
C25 C 0.68039(15) 0.49022(19) 0.5430(3) 0.0298(9) Uani 1 1 d . . . . .
H25A H 0.662050 0.517811 0.583189 0.045 Uiso 1 1 calc GR . . . .
H25B H 0.679474 0.444395 0.561378 0.045 Uiso 1 1 calc GR . . . .
H25C H 0.662766 0.494044 0.488337 0.045 Uiso 1 1 calc GR . . . .
C28 C 0.87378(14) 0.62698(19) 0.7968(2) 0.0225(8) Uani 1 1 d . . . . .
C14 C 0.54588(15) 0.9144(2) 0.6295(2) 0.0266(8) Uani 1 1 d . . . . .
H14 H 0.548502 0.940676 0.678254 0.032 Uiso 1 1 calc R . . . .
C31 C 0.85651(15) 0.6509(2) 0.8826(2) 0.0273(8) Uani 1 1 d . . . . .
H31A H 0.868583 0.696168 0.891277 0.041 Uiso 1 1 calc GR . . . .
H31B H 0.872109 0.622641 0.925903 0.041 Uiso 1 1 calc GR . . . .
H31C H 0.817802 0.649283 0.885562 0.041 Uiso 1 1 calc GR . . . .
O11 O 0.81734(19) 0.8252(2) 0.8767(3) 0.0717(12) Uani 1 1 d . . . . .
H11A H 0.821742 0.805200 0.831634 0.108 Uiso 1 1 calc GR . . . .
C11 C 0.53955(14) 0.83793(19) 0.4876(2) 0.0250(8) Uani 1 1 d . . . . .
H11 H 0.537048 0.811720 0.438855 0.030 Uiso 1 1 calc R . . . .
C12 C 0.49411(14) 0.86617(19) 0.5198(2) 0.0259(8) Uani 1 1 d . . . . .
H12 H 0.460835 0.858612 0.492923 0.031 Uiso 1 1 calc R . . . .
C15 C 0.59157(14) 0.88576(19) 0.5981(2) 0.0247(8) Uani 1 1 d . . . . .
H15 H 0.624697 0.892257 0.625941 0.030 Uiso 1 1 calc R . . . .
C29 C 0.85669(16) 0.55540(19) 0.7840(2) 0.0294(9) Uani 1 1 d . . . . .
H29A H 0.817991 0.552422 0.785568 0.044 Uiso 1 1 calc GR . . . .
H29B H 0.872310 0.528128 0.828279 0.044 Uiso 1 1 calc GR . . . .
H29C H 0.868863 0.539917 0.729900 0.044 Uiso 1 1 calc GR . . . .
C27 C 0.76661(16) 0.5038(2) 0.6211(3) 0.0316(9) Uani 1 1 d . . . . .
H27A H 0.802762 0.520973 0.618037 0.047 Uiso 1 1 calc GR . . . .
H27B H 0.767866 0.457023 0.635255 0.047 Uiso 1 1 calc GR . . . .
H27C H 0.747389 0.527624 0.664046 0.047 Uiso 1 1 calc GR . . . .
C33 C 0.59042(15) 0.6796(2) 0.4959(3) 0.0280(9) Uani 1 1 d . . . . .
H33A H 0.615703 0.655522 0.531420 0.042 Uiso 1 1 calc GR . . . .
H33B H 0.568407 0.648468 0.464289 0.042 Uiso 1 1 calc GR . . . .
H33C H 0.567814 0.706968 0.530676 0.042 Uiso 1 1 calc GR . . . .
C6 C 0.68385(16) 0.6621(2) 0.8159(3) 0.0343(10) Uani 1 1 d . . . . .
H6 H 0.719697 0.650178 0.826828 0.041 Uiso 1 1 calc R . . . .
C17 C 0.42677(16) 0.9894(2) 0.5611(3) 0.0317(9) Uani 1 1 d . . . . .
H17A H 0.454711 1.021147 0.549064 0.048 Uiso 1 1 calc GR . . . .
H17B H 0.396362 1.012298 0.584513 0.048 Uiso 1 1 calc GR . . . .
H17C H 0.415744 0.967029 0.509676 0.048 Uiso 1 1 calc GR . . . .
C4 C 0.59325(15) 0.6667(2) 0.8629(3) 0.0317(9) Uani 1 1 d . . . . .
C18 C 0.40482(16) 0.8901(2) 0.6461(3) 0.0361(10) Uani 1 1 d . . . . .
H18A H 0.393165 0.866225 0.596018 0.054 Uiso 1 1 calc GR . . . .
H18B H 0.374660 0.913455 0.669482 0.054 Uiso 1 1 calc GR . . . .
H18C H 0.419057 0.858911 0.687207 0.054 Uiso 1 1 calc GR . . . .
C7 C 0.55142(17) 0.6548(3) 0.9281(3) 0.0406(11) Uani 1 1 d . . . . .
H7 H 0.516953 0.671617 0.905081 0.049 Uiso 1 1 calc R . . . .
C26 C 0.76655(17) 0.47361(19) 0.4696(3) 0.0339(10) Uani 1 1 d . . . . .
H26A H 0.748102 0.479637 0.415989 0.051 Uiso 1 1 calc GR . . . .
H26B H 0.766612 0.426952 0.484415 0.051 Uiso 1 1 calc GR . . . .
H26C H 0.803131 0.489179 0.465588 0.051 Uiso 1 1 calc GR . . . .
C32 C 0.71465(17) 0.8475(2) 0.7342(3) 0.0375(10) Uani 1 1 d . . . . .
H32A H 0.711556 0.881029 0.690703 0.056 Uiso 1 1 calc GR . . . .
H32B H 0.727149 0.867875 0.786222 0.056 Uiso 1 1 calc GR . . . .
H32C H 0.679963 0.827279 0.742697 0.056 Uiso 1 1 calc GR . . . .
C23 C 0.64018(19) 0.5365(2) 0.2885(3) 0.0369(10) Uani 1 1 d . . . . .
H23 H 0.669313 0.524080 0.323383 0.044 Uiso 1 1 calc R . . . .
C30 C 0.93401(14) 0.6328(2) 0.7897(3) 0.0368(11) Uani 1 1 d . . . . .
H30A H 0.944623 0.617704 0.734548 0.055 Uiso 1 1 calc GR . . . .
H30B H 0.951318 0.605623 0.832555 0.055 Uiso 1 1 calc GR . . . .
H30C H 0.944623 0.678657 0.797313 0.055 Uiso 1 1 calc GR . . . .
C5 C 0.64603(17) 0.6503(2) 0.8761(3) 0.0405(11) Uani 1 1 d . . . . .
H5 H 0.656647 0.630562 0.927276 0.049 Uiso 1 1 calc R . . . .
C2 C 0.61711(16) 0.7084(2) 0.7282(3) 0.0355(10) Uani 1 1 d . . . . .
H2 H 0.606400 0.729166 0.677728 0.043 Uiso 1 1 calc R . . . .
C3 C 0.57989(16) 0.6963(2) 0.7879(3) 0.0399(11) Uani 1 1 d . . . . .
H3 H 0.544099 0.708526 0.777285 0.048 Uiso 1 1 calc R . . . .
C9 C 0.5638(2) 0.6925(3) 1.0076(3) 0.0480(12) Uani 1 1 d . . . . .
H9A H 0.595885 0.674544 1.034235 0.072 Uiso 1 1 calc GR . . . .
H9B H 0.534060 0.688379 1.045555 0.072 Uiso 1 1 calc GR . . . .
H9C H 0.569382 0.738874 0.994342 0.072 Uiso 1 1 calc GR . . . .
C19 C 0.58674(19) 0.6158(3) 0.2326(3) 0.0470(12) Uani 1 1 d . . . . .
H19 H 0.577241 0.660721 0.226968 0.056 Uiso 1 1 calc R . . . .
C22 C 0.6124(2) 0.4875(3) 0.2474(3) 0.0509(13) Uani 1 1 d . . . . .
H22 H 0.622355 0.442786 0.254094 0.061 Uiso 1 1 calc R . . . .
C21 C 0.5700(2) 0.5045(3) 0.1965(3) 0.0523(13) Uani 1 1 d . . . . .
H21 H 0.550261 0.472020 0.167013 0.063 Uiso 1 1 calc R . . . .
C8 C 0.5445(2) 0.5819(3) 0.9454(3) 0.0552(14) Uani 1 1 d . . . . .
H8A H 0.535487 0.559020 0.893407 0.083 Uiso 1 1 calc GR . . . .
H8B H 0.515974 0.575681 0.985137 0.083 Uiso 1 1 calc GR . . . .
H8C H 0.577578 0.563982 0.968872 0.083 Uiso 1 1 calc GR . . . .
C20 C 0.5571(2) 0.5696(3) 0.1896(3) 0.0537(14) Uani 1 1 d . . . . .
H20 H 0.527878 0.582909 0.155494 0.064 Uiso 1 1 calc R . . . .
C34 C 0.7766(3) 0.7937(3) 0.9222(4) 0.0738(19) Uani 1 1 d . . . . .
H34A H 0.752785 0.770351 0.883495 0.111 Uiso 1 1 calc GR . . . .
H34B H 0.756569 0.826669 0.952733 0.111 Uiso 1 1 calc GR . . . .
H34C H 0.792583 0.762331 0.961534 0.111 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'
Mn Mn 0.3368 0.7283 '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'
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
O5 Sb2 O1 93.21(10) . . ?
O5 Sb2 O8 92.44(10) . 7_666 ?
O5 Sb2 O2 94.72(9) . . ?
O5 Sb2 O9 178.57(9) . 7_666 ?
O5 Sb2 C10 91.74(11) . . ?
O1 Sb2 O9 86.86(10) . 7_666 ?
O1 Sb2 C10 95.32(12) . . ?
O8 Sb2 O1 169.68(10) 7_666 . ?
O8 Sb2 O9 87.70(10) 7_666 7_666 ?
O8 Sb2 C10 93.13(12) 7_666 . ?
O2 Sb2 O1 80.63(10) . . ?
O2 Sb2 O8 90.31(10) . 7_666 ?
O2 Sb2 O9 86.71(9) . 7_666 ?
O2 Sb2 C10 172.55(12) . . ?
O9 Sb2 C10 86.83(11) 7_666 . ?
O5 Sb1 O7 178.64(10) . . ?
O5 Sb1 O6 91.74(10) . . ?
O5 Sb1 O4 92.02(10) . . ?
O5 Sb1 O2 93.90(10) . 7_666 ?
O5 Sb1 C1 91.79(12) . . ?
O7 Sb1 C1 88.26(12) . . ?
O6 Sb1 O7 86.90(10) . . ?
O6 Sb1 C1 95.45(12) . . ?
O4 Sb1 O7 89.33(10) . . ?
O4 Sb1 O6 170.39(9) . . ?
O4 Sb1 C1 93.27(12) . . ?
O2 Sb1 O7 85.96(9) 7_666 . ?
O2 Sb1 O6 80.86(10) 7_666 . ?
O2 Sb1 O4 90.06(10) 7_666 . ?
O2 Sb1 C1 173.30(12) 7_666 . ?
O1 Mn1 O2 70.50(8) . . ?
O1 Mn1 N1 106.01(12) . . ?
O6 Mn1 O1 139.26(9) 7_666 . ?
O6 Mn1 O2 70.60(9) 7_666 . ?
O6 Mn1 N1 112.20(12) 7_666 . ?
O10 Mn1 O1 85.41(9) 7_666 . ?
O10 Mn1 O6 81.84(9) 7_666 7_666 ?
O10 Mn1 O2 88.32(9) 7_666 . ?
O10 Mn1 N1 88.81(11) 7_666 . ?
O3 Mn1 O1 97.67(10) . . ?
O3 Mn1 O6 95.34(9) . 7_666 ?
O3 Mn1 O2 92.07(9) . . ?
O3 Mn1 O10 176.85(10) . 7_666 ?
O3 Mn1 N1 90.97(11) . . ?
N1 Mn1 O2 175.65(11) . . ?
O7 P1 C28 106.76(15) . . ?
O9 P1 O7 109.16(14) . . ?
O9 P1 C28 106.50(15) . . ?
O10 P1 O7 112.01(14) . . ?
O10 P1 O9 112.30(14) . . ?
O10 P1 C28 109.82(16) . . ?
O4 P2 C24 105.13(15) . . ?
O8 P2 O4 110.58(13) . . ?
O8 P2 C24 106.47(15) . . ?
O3 P2 O4 112.80(14) . . ?
O3 P2 O8 113.10(14) . . ?
O3 P2 C24 108.21(16) . . ?
Sb2 O5 Sb1 145.94(13) . . ?
Sb2 O1 Mn1 103.44(10) . . ?
C33 O1 Sb2 121.4(2) . . ?
C33 O1 Mn1 120.4(2) . . ?
P1 O7 Sb1 124.73(14) . . ?
Sb1 O6 Mn1 103.87(10) . 7_666 ?
C32 O6 Sb1 121.0(2) . . ?
C32 O6 Mn1 122.3(2) . 7_666 ?
P2 O4 Sb1 138.57(14) . . ?
P2 O8 Sb2 137.75(14) . 7_666 ?
Sb2 O2 Sb1 138.73(13) . 7_666 ?
Sb2 O2 Mn1 103.39(9) . . ?
Sb1 O2 Mn1 103.33(10) 7_666 . ?
P1 O9 Sb2 124.81(14) . 7_666 ?
P1 O10 Mn1 116.50(14) . 7_666 ?
P2 O3 Mn1 142.66(16) . . ?
C23 N1 Mn1 122.3(3) . . ?
C23 N1 C19 116.2(4) . . ?
C19 N1 Mn1 121.6(3) . . ?
C6 C1 Sb1 122.6(3) . . ?
C6 C1 C2 117.0(3) . . ?
C2 C1 Sb1 120.2(3) . . ?
C11 C10 Sb2 119.8(3) . . ?
C15 C10 Sb2 121.1(3) . . ?
C15 C10 C11 119.0(3) . . ?
C13 C16 C17 110.7(3) . . ?
C13 C16 C18 111.9(3) . . ?
C17 C16 C18 111.1(3) . . ?
C25 C24 P2 108.5(2) . . ?
C25 C24 C27 109.6(3) . . ?
C27 C24 P2 109.4(3) . . ?
C26 C24 P2 108.8(3) . . ?
C26 C24 C25 110.4(3) . . ?
C26 C24 C27 110.0(3) . . ?
C14 C13 C16 121.0(3) . . ?
C14 C13 C12 117.8(3) . . ?
C12 C13 C16 121.1(3) . . ?
C31 C28 P1 108.0(3) . . ?
C29 C28 P1 110.8(3) . . ?
C29 C28 C31 109.8(3) . . ?
C30 C28 P1 108.1(3) . . ?
C30 C28 C31 110.1(3) . . ?
C30 C28 C29 109.9(3) . . ?
C13 C14 C15 121.5(4) . . ?
C12 C11 C10 120.4(4) . . ?
C11 C12 C13 121.1(3) . . ?
C10 C15 C14 120.3(3) . . ?
C1 C6 C5 121.1(4) . . ?
C5 C4 C7 122.3(4) . . ?
C3 C4 C7 120.6(4) . . ?
C3 C4 C5 117.1(4) . . ?
C9 C7 C4 111.4(4) . . ?
C9 C7 C8 111.3(4) . . ?
C8 C7 C4 111.4(4) . . ?
N1 C23 C22 123.9(4) . . ?
C4 C5 C6 121.5(4) . . ?
C3 C2 C1 121.6(4) . . ?
C2 C3 C4 121.8(4) . . ?
N1 C19 C20 123.2(5) . . ?
C21 C22 C23 118.9(5) . . ?
C20 C21 C22 118.2(5) . . ?
C21 C20 C19 119.6(5) . . ?
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 O5 1.926(2) . ?
Sb2 O1 2.024(2) . ?
Sb2 O8 2.017(2) 7_666 ?
Sb2 O2 1.962(2) . ?
Sb2 O9 2.053(2) 7_666 ?
Sb2 C10 2.104(3) . ?
Sb1 O5 1.927(2) . ?
Sb1 O7 2.056(2) . ?
Sb1 O6 2.015(2) . ?
Sb1 O4 2.010(2) . ?
Sb1 O2 1.962(2) 7_666 ?
Sb1 C1 2.110(3) . ?
Mn1 O1 2.204(2) . ?
Mn1 O6 2.199(2) 7_666 ?
Mn1 O2 2.264(2) . ?
Mn1 O10 2.181(3) 7_666 ?
Mn1 O3 2.069(3) . ?
Mn1 N1 2.219(3) . ?
P1 O7 1.558(2) . ?
P1 O9 1.550(3) . ?
P1 O10 1.506(3) . ?
P1 C28 1.817(4) . ?
P2 O4 1.554(2) . ?
P2 O8 1.549(2) . ?
P2 O3 1.497(3) . ?
P2 C24 1.807(4) . ?
O1 C33 1.428(4) . ?
O6 C32 1.417(5) . ?
N1 C23 1.339(6) . ?
N1 C19 1.347(6) . ?
C1 C6 1.391(5) . ?
C1 C2 1.391(5) . ?
C10 C11 1.396(5) . ?
C10 C15 1.384(5) . ?
C16 C13 1.516(5) . ?
C16 C17 1.520(5) . ?
C16 C18 1.523(5) . ?
C24 C25 1.534(5) . ?
C24 C27 1.534(5) . ?
C24 C26 1.532(5) . ?
C13 C14 1.390(5) . ?
C13 C12 1.397(5) . ?
C28 C31 1.535(5) . ?
C28 C29 1.534(6) . ?
C28 C30 1.532(5) . ?
C14 C15 1.396(5) . ?
O11 C34 1.425(8) . ?
C11 C12 1.392(5) . ?
C6 C5 1.393(6) . ?
C4 C7 1.523(6) . ?
C4 C5 1.386(6) . ?
C4 C3 1.383(6) . ?
C7 C9 1.519(7) . ?
C7 C8 1.522(7) . ?
C23 C22 1.381(6) . ?
C2 C3 1.379(6) . ?
C19 C20 1.380(7) . ?
C22 C21 1.380(7) . ?
C21 C20 1.370(8) . ?
