#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:28:01 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179971 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/65/7026506.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_7026506
loop_
_publ_author_name
'Ali, Shoaib'
'Muryn, Christopher A.'
'Tuna, Floriana'
'Winpenny, Richard E. P.'
_publ_section_title
;
 Synthesis and structural and magnetic characterisation of cobalt(ii)
 complexes of mixed phosphonate-antimonate ligands.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9588
_journal_page_last               9597
_journal_paper_doi               10.1039/c0dt00482k
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C62 H58 Cl4 Co2 N2 O20 P4 Sb4'
_chemical_formula_weight         2021.64
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.803(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.3692(3)
_cell_length_b                   12.0030(4)
_cell_length_c                   24.8174(7)
_cell_measurement_reflns_used    12301
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.1111
_cell_measurement_theta_min      2.6371
_cell_volume                     3606.67(18)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
;
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3367
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford Diffraction XCalibur 2'
_diffrn_measurement_method       'phi and omega'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0433
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            23484
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         4.13
_exptl_absorpt_coefficient_mu    2.234
_exptl_absorpt_correction_T_max  0.8075
_exptl_absorpt_correction_T_min  0.6635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.862
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1980
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.884
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         7343
_refine_ls_number_restraints     181
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0358P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0656
_reflns_number_gt                5495
_reflns_number_total             7343
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00482k.txt
_cod_data_source_block           mono769
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7026506
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.072420(18) 0.826934(18) 0.456575(8) 0.01512(6) Uani 1 1 d . . .
Sb2 Sb 0.032576(18) 0.898141(18) 0.594690(9) 0.01594(6) Uani 1 1 d . . .
Co1 Co 0.18224(4) 1.12087(4) 0.597614(18) 0.01906(11) Uani 1 1 d . . .
P1 P -0.00621(7) 0.89271(7) 0.33067(3) 0.0189(2) Uani 1 1 d . . .
P2 P 0.22439(7) 1.05756(7) 0.47363(3) 0.01632(19) Uani 1 1 d D . .
N1 N 0.3204(2) 1.2158(3) 0.63549(12) 0.0274(7) Uani 1 1 d . . .
C1 C 0.0338(3) 0.7472(3) 0.63990(13) 0.0196(8) Uani 1 1 d . C .
C2 C 0.0792(3) 0.6524(3) 0.62183(15) 0.0302(9) Uani 1 1 d . . .
H2 H 0.1141 0.6566 0.5912 0.036 Uiso 1 1 calc R . .
C3 C 0.0738(3) 0.5510(3) 0.64834(15) 0.0342(10) Uani 1 1 d . C .
H3 H 0.1047 0.4859 0.6358 0.041 Uiso 1 1 calc R . .
C4 C 0.0242(3) 0.5456(3) 0.69234(14) 0.0282(9) Uani 1 1 d . . .
C5 C -0.0198(3) 0.6382(3) 0.71155(16) 0.0338(10) Uani 1 1 d . C .
H5 H -0.0530 0.6333 0.7428 0.041 Uiso 1 1 calc R . .
C6 C -0.0155(3) 0.7399(3) 0.68501(15) 0.0322(9) Uani 1 1 d . . .
H6 H -0.0466 0.8044 0.6980 0.039 Uiso 1 1 calc R C .
C7 C 0.1748(3) 0.6852(3) 0.46369(13) 0.0168(7) Uani 1 1 d . B .
C8 C 0.1625(3) 0.6058(3) 0.42237(14) 0.0287(9) Uani 1 1 d . . .
H8A H 0.1093 0.6173 0.3894 0.034 Uiso 1 1 calc R . .
C9 C 0.2259(3) 0.5107(3) 0.42827(15) 0.0366(10) Uani 1 1 d . B .
H9A H 0.2161 0.4564 0.3998 0.044 Uiso 1 1 calc R . .
C10 C 0.3041(3) 0.4951(3) 0.47624(14) 0.0260(8) Uani 1 1 d . . .
C11 C 0.3189(3) 0.5729(3) 0.51785(15) 0.0288(9) Uani 1 1 d . B .
H11 H 0.3732 0.5616 0.5505 0.035 Uiso 1 1 calc R . .
C12 C 0.2541(3) 0.6674(3) 0.51181(14) 0.0234(8) Uani 1 1 d . . .
H12 H 0.2634 0.7208 0.5406 0.028 Uiso 1 1 calc R B .
C13 C 0.0292(3) 0.8658(3) 0.26582(14) 0.0250(8) Uani 1 1 d . . .
C14 C -0.0541(3) 0.8443(3) 0.22001(14) 0.0308(9) Uani 1 1 d . . .
H14 H -0.1288 0.8416 0.2240 0.037 Uiso 1 1 calc R . .
C15 C -0.0292(4) 0.8269(3) 0.16876(16) 0.0429(11) Uani 1 1 d . . .
H15 H -0.0868 0.8146 0.1376 0.051 Uiso 1 1 calc R . .
C16 C 0.0778(4) 0.8273(4) 0.16305(17) 0.0516(13) Uani 1 1 d . . .
H16 H 0.0948 0.8138 0.1280 0.062 Uiso 1 1 calc R . .
C17 C 0.1617(4) 0.8472(5) 0.20771(18) 0.0604(15) Uani 1 1 d . . .
H17 H 0.2363 0.8477 0.2035 0.072 Uiso 1 1 calc R . .
C18 C 0.1366(4) 0.8665(4) 0.25926(17) 0.0459(12) Uani 1 1 d . . .
H18 H 0.1945 0.8804 0.2901 0.055 Uiso 1 1 calc R . .
C25 C 0.4180(4) 1.2104(4) 0.62017(18) 0.0499(12) Uani 1 1 d . . .
H25 H 0.4282 1.1533 0.5951 0.060 Uiso 1 1 calc R . .
C26 C 0.5044(4) 1.2821(4) 0.63829(19) 0.0590(14) Uani 1 1 d . . .
H26 H 0.5725 1.2744 0.6266 0.071 Uiso 1 1 calc R . .
C27 C 0.4887(5) 1.3660(4) 0.67427(19) 0.0616(15) Uani 1 1 d . . .
H27 H 0.5459 1.4179 0.6875 0.074 Uiso 1 1 calc R . .
C28 C 0.3898(4) 1.3729(4) 0.69040(19) 0.0590(15) Uani 1 1 d . . .
H28 H 0.3776 1.4297 0.7152 0.071 Uiso 1 1 calc R . .
C29 C 0.3079(4) 1.2971(3) 0.67049(16) 0.0389(10) Uani 1 1 d . . .
H29 H 0.2395 1.3028 0.6821 0.047 Uiso 1 1 calc R . .
C30 C 0.2452(3) 0.9167(3) 0.67739(13) 0.0260(8) Uani 1 1 d . . .
H30A H 0.1903 0.9047 0.7002 0.039 Uiso 1 1 calc R . .
H30B H 0.2957 0.9765 0.6934 0.039 Uiso 1 1 calc R . .
H30C H 0.2872 0.8479 0.6759 0.039 Uiso 1 1 calc R . .
C31 C 0.3466(5) 1.0718(8) 0.4467(4) 0.0208(19) Uani 0.421(8) 1 d PGDU A 1
C32 C 0.3535(6) 1.0254(7) 0.3962(4) 0.036(2) Uani 0.421(8) 1 d PGU A 1
H32 H 0.2908 0.9902 0.3743 0.043 Uiso 0.421(8) 1 calc PR A 1
C33 C 0.4521(8) 1.0305(6) 0.3777(3) 0.041(2) Uani 0.421(8) 1 d PGU A 1
H33 H 0.4568 0.9988 0.3432 0.050 Uiso 0.421(8) 1 calc PR A 1
C34 C 0.5438(6) 1.0820(6) 0.4097(4) 0.034(2) Uani 0.421(8) 1 d PGU A 1
H34 H 0.6112 1.0855 0.3971 0.041 Uiso 0.421(8) 1 calc PR A 1
C35 C 0.5369(6) 1.1284(7) 0.4602(4) 0.031(2) Uani 0.421(8) 1 d PGU A 1
H35 H 0.5996 1.1636 0.4821 0.037 Uiso 0.421(8) 1 calc PR A 1
C36 C 0.4383(7) 1.1233(8) 0.4787(3) 0.0238(19) Uani 0.421(8) 1 d PGU A 1
H36 H 0.4336 1.1550 0.5132 0.029 Uiso 0.421(8) 1 calc PR A 1
Cl1 Cl 0.38337(10) 0.37462(9) 0.48460(4) 0.0451(3) Uani 1 1 d . B 1
Cl2 Cl 0.01228(9) 0.41638(8) 0.72320(4) 0.0389(3) Uani 1 1 d . C 1
C31A C 0.3355(4) 1.0742(6) 0.4377(2) 0.0238(16) Uani 0.579(8) 1 d PGDU A 2
C32A C 0.3122(4) 1.0492(5) 0.3818(2) 0.0305(16) Uani 0.579(8) 1 d PGU A 2
H32A H 0.2388 1.0316 0.3638 0.037 Uiso 0.579(8) 1 calc PR A 2
C33A C 0.3964(5) 1.0500(5) 0.3523(2) 0.0400(17) Uani 0.579(8) 1 d PGU A 2
H33A H 0.3805 1.0330 0.3141 0.048 Uiso 0.579(8) 1 calc PR A 2
C34A C 0.5037(4) 1.0758(5) 0.3786(3) 0.0406(18) Uani 0.579(8) 1 d PGU A 2
H34A H 0.5612 1.0763 0.3585 0.049 Uiso 0.579(8) 1 calc PR A 2
C35A C 0.5270(4) 1.1007(5) 0.4345(3) 0.0268(17) Uani 0.579(8) 1 d PGU A 2
H35A H 0.6004 1.1183 0.4525 0.032 Uiso 0.579(8) 1 calc PR A 2
C36A C 0.4429(5) 1.0999(6) 0.4641(2) 0.0252(15) Uani 0.579(8) 1 d PGU A 2
H36A H 0.4588 1.1170 0.5022 0.030 Uiso 0.579(8) 1 calc PR A 2
C37 C -0.1018(3) 0.6598(3) 0.46866(14) 0.0247(8) Uani 1 1 d . . .
H37A H -0.0420 0.6051 0.4773 0.037 Uiso 1 1 calc R . .
H37B H -0.1696 0.6226 0.4498 0.037 Uiso 1 1 calc R . .
H37C H -0.1142 0.6937 0.5028 0.037 Uiso 1 1 calc R . .
O1 O -0.07212(18) 0.74490(18) 0.43363(9) 0.0189(5) Uani 1 1 d . . .
O2 O 0.07993(18) 0.83136(18) 0.37456(9) 0.0194(5) Uani 1 1 d . . .
O3 O 0.20192(18) 0.93097(18) 0.47082(9) 0.0180(5) Uani 1 1 d . A .
O4 O 0.07084(18) 0.82079(17) 0.53392(8) 0.0176(5) Uani 1 1 d . . .
O5 O 0.25099(18) 1.10154(18) 0.53115(9) 0.0196(5) Uani 1 1 d . A .
O6 O 0.19027(18) 0.94750(18) 0.62271(8) 0.0187(5) Uani 1 1 d . . .
O7 O 0.02925(17) 1.04514(17) 0.55871(8) 0.0160(5) Uani 1 1 d . . .
O8 O 0.12185(19) 1.14328(19) 0.67020(9) 0.0216(5) Uani 1 1 d . . .
O9 O -0.01024(18) 0.97976(18) 0.66026(8) 0.0185(5) Uani 1 1 d . . .
O10 O -0.12954(18) 0.87914(18) 0.56394(9) 0.0187(5) Uani 1 1 d . . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O4 Sb1 O7 94.90(9) . 3_576
O4 Sb1 O3 91.07(9) . .
O7 Sb1 O3 90.23(9) 3_576 .
O4 Sb1 O1 94.22(9) . .
O7 Sb1 O1 80.35(9) 3_576 .
O3 Sb1 O1 169.55(9) . .
O4 Sb1 O2 177.91(9) . .
O7 Sb1 O2 86.89(8) 3_576 .
O3 Sb1 O2 87.83(9) . .
O1 Sb1 O2 87.14(9) . .
O4 Sb1 C7 90.80(11) . .
O7 Sb1 C7 173.64(10) 3_576 .
O3 Sb1 C7 92.47(11) . .
O1 Sb1 C7 96.46(11) . .
O2 Sb1 C7 87.46(10) . .
O4 Sb2 O7 93.60(9) . .
O4 Sb2 O10 91.96(9) . .
O7 Sb2 O10 90.16(9) . .
O4 Sb2 O6 92.09(9) . .
O7 Sb2 O6 79.80(9) . .
O10 Sb2 O6 169.39(9) . .
O4 Sb2 O9 179.20(9) . .
O7 Sb2 O9 86.98(8) . .
O10 Sb2 O9 87.48(9) . .
O6 Sb2 O9 88.55(9) . .
O4 Sb2 C1 91.51(11) . .
O7 Sb2 C1 174.87(11) . .
O10 Sb2 C1 90.13(11) . .
O6 Sb2 C1 99.55(11) . .
O9 Sb2 C1 87.92(11) . .
O5 Co1 O8 175.94(9) . .
O5 Co1 N1 89.30(11) . .
O8 Co1 N1 86.94(11) . .
O5 Co1 O7 93.66(8) . .
O8 Co1 O7 90.26(9) . .
N1 Co1 O7 172.19(10) . .
O5 Co1 O1 97.66(9) . 3_576
O8 Co1 O1 84.45(9) . 3_576
N1 Co1 O1 98.75(10) . 3_576
O7 Co1 O1 73.70(8) . 3_576
O5 Co1 O6 97.02(9) . .
O8 Co1 O6 83.12(9) . .
N1 Co1 O6 113.89(10) . .
O7 Co1 O6 72.94(8) . .
O1 Co1 O6 144.22(8) 3_576 .
O8 P1 O2 113.16(13) 3_576 .
O8 P1 O9 112.60(13) 3_576 3_576
O2 P1 O9 108.43(12) . 3_576
O8 P1 C13 110.31(15) 3_576 .
O2 P1 C13 106.77(15) . .
O9 P1 C13 105.10(14) 3_576 .
O5 P2 O10 113.29(13) . 3_576
O5 P2 O3 113.16(13) . .
O10 P2 O3 110.50(13) 3_576 .
O5 P2 C31 106.6(3) . .
O10 P2 C31 109.0(3) 3_576 .
O3 P2 C31 103.7(3) . .
O5 P2 C31A 113.2(2) . .
O10 P2 C31A 102.1(2) 3_576 .
O3 P2 C31A 103.6(2) . .
C31 P2 C31A 7.6(5) . .
C29 N1 C25 116.8(4) . .
C29 N1 Co1 119.5(3) . .
C25 N1 Co1 122.9(3) . .
C6 C1 C2 119.1(3) . .
C6 C1 Sb2 121.6(3) . .
C2 C1 Sb2 119.2(2) . .
C1 C2 C3 120.3(4) . .
C1 C2 H2 119.9 . .
C3 C2 H2 119.9 . .
C4 C3 C2 119.6(4) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
C3 C4 C5 121.3(3) . .
C3 C4 Cl2 119.1(3) . .
C5 C4 Cl2 119.6(3) . .
C4 C5 C6 119.4(4) . .
C4 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
C1 C6 C5 120.3(4) . .
C1 C6 H6 119.9 . .
C5 C6 H6 119.9 . .
C8 C7 C12 118.6(3) . .
C8 C7 Sb1 121.3(2) . .
C12 C7 Sb1 120.0(2) . .
C9 C8 C7 121.2(3) . .
C9 C8 H8A 119.4 . .
C7 C8 H8A 119.4 . .
C8 C9 C10 119.1(3) . .
C8 C9 H9A 120.5 . .
C10 C9 H9A 120.5 . .
C11 C10 C9 121.1(3) . .
C11 C10 Cl1 119.4(3) . .
C9 C10 Cl1 119.6(3) . .
C10 C11 C12 119.4(3) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
C11 C12 C7 120.6(3) . .
C11 C12 H12 119.7 . .
C7 C12 H12 119.7 . .
C18 C13 C14 118.5(4) . .
C18 C13 P1 122.0(3) . .
C14 C13 P1 119.5(3) . .
C15 C14 C13 120.7(4) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C16 C15 C14 120.0(4) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C15 C16 C17 120.4(4) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C16 C17 C18 119.6(4) . .
C16 C17 H17 120.2 . .
C18 C17 H17 120.2 . .
C13 C18 C17 120.7(4) . .
C13 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
N1 C25 C26 124.2(4) . .
N1 C25 H25 117.9 . .
C26 C25 H25 117.9 . .
C25 C26 C27 117.6(5) . .
C25 C26 H26 121.2 . .
C27 C26 H26 121.2 . .
C28 C27 C26 119.1(4) . .
C28 C27 H27 120.5 . .
C26 C27 H27 120.5 . .
C27 C28 C29 119.5(5) . .
C27 C28 H28 120.3 . .
C29 C28 H28 120.3 . .
N1 C29 C28 122.8(4) . .
N1 C29 H29 118.6 . .
C28 C29 H29 118.6 . .
O6 C30 H30A 109.5 . .
O6 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
O6 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 C36 120.0 . .
C32 C31 P2 120.9(5) . .
C36 C31 P2 119.0(5) . .
C33 C32 C31 120.0 . .
C33 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
C32 C33 C34 120.0 . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C35 C34 C33 120.0 . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C34 C35 C36 120.0 . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C35 C36 C31 120.0 . .
C35 C36 H36 120.0 . .
C31 C36 H36 120.0 . .
C32A C31A C36A 120.0 . .
C32A C31A P2 116.6(3) . .
C36A C31A P2 123.1(3) . .
C33A C32A C31A 120.0 . .
C33A C32A H32A 120.0 . .
C31A C32A H32A 120.0 . .
C32A C33A C34A 120.0 . .
C32A C33A H33A 120.0 . .
C34A C33A H33A 120.0 . .
C35A C34A C33A 120.0 . .
C35A C34A H34A 120.0 . .
C33A C34A H34A 120.0 . .
C34A C35A C36A 120.0 . .
C34A C35A H35A 120.0 . .
C36A C35A H35A 120.0 . .
C35A C36A C31A 120.0 . .
C35A C36A H36A 120.0 . .
C31A C36A H36A 120.0 . .
O1 C37 H37A 109.5 . .
O1 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
O1 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C37 O1 Sb1 119.84(19) . .
C37 O1 Co1 122.0(2) . 3_576
Sb1 O1 Co1 101.27(9) . 3_576
P1 O2 Sb1 123.06(13) . .
P2 O3 Sb1 138.69(14) . .
Sb2 O4 Sb1 145.38(12) . .
P2 O5 Co1 140.75(14) . .
C30 O6 Sb2 119.1(2) . .
C30 O6 Co1 120.21(19) . .
Sb2 O6 Co1 101.43(9) . .
Sb1 O7 Sb2 137.43(12) 3_576 .
Sb1 O7 Co1 103.06(9) 3_576 .
Sb2 O7 Co1 103.92(9) . .
P1 O8 Co1 117.29(13) 3_576 .
P1 O9 Sb2 122.39(12) 3_576 .
P2 O10 Sb2 138.72(14) 3_576 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 O4 1.925(2) .
Sb1 O7 1.972(2) 3_576
Sb1 O3 2.005(2) .
Sb1 O1 2.018(2) .
Sb1 O2 2.057(2) .
Sb1 C7 2.106(3) .
Sb2 O4 1.911(2) .
Sb2 O7 1.974(2) .
Sb2 O10 2.007(2) .
Sb2 O6 2.021(2) .
Sb2 O9 2.059(2) .
Sb2 C1 2.130(3) .
Co1 O5 2.018(2) .
Co1 O8 2.104(2) .
Co1 N1 2.109(3) .
Co1 O7 2.143(2) .
Co1 O1 2.150(2) 3_576
Co1 O6 2.169(2) .
P1 O8 1.490(2) 3_576
P1 O2 1.546(2) .
P1 O9 1.555(2) 3_576
P1 C13 1.782(4) .
P2 O5 1.494(2) .
P2 O10 1.541(2) 3_576
P2 O3 1.544(2) .
P2 C31 1.781(5) .
P2 C31A 1.795(4) .
N1 C29 1.337(5) .
N1 C25 1.339(5) .
C1 C6 1.383(5) .
C1 C2 1.383(5) .
C2 C3 1.391(5) .
C2 H2 0.9500 .
C3 C4 1.359(5) .
C3 H3 0.9500 .
C4 C5 1.365(5) .
C4 Cl2 1.750(3) .
C5 C6 1.393(5) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.385(5) .
C7 C12 1.398(4) .
C8 C9 1.376(5) .
C8 H8A 0.9500 .
C9 C10 1.385(5) .
C9 H9A 0.9500 .
C10 C11 1.376(5) .
C10 Cl1 1.736(3) .
C11 C12 1.379(5) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C18 1.370(6) .
C13 C14 1.394(5) .
C14 C15 1.384(5) .
C14 H14 0.9500 .
C15 C16 1.360(6) .
C15 H15 0.9500 .
C16 C17 1.375(6) .
C16 H16 0.9500 .
C17 C18 1.397(5) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C25 C26 1.374(6) .
C25 H25 0.9500 .
C26 C27 1.386(7) .
C26 H26 0.9500 .
C27 C28 1.365(7) .
C27 H27 0.9500 .
C28 C29 1.377(6) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 O6 1.436(4) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.3900 .
C31 C36 1.3900 .
C32 C33 1.3900 .
C32 H32 0.9500 .
C33 C34 1.3900 .
C33 H33 0.9500 .
C34 C35 1.3900 .
C34 H34 0.9500 .
C35 C36 1.3900 .
C35 H35 0.9500 .
C36 H36 0.9500 .
C31A C32A 1.3900 .
C31A C36A 1.3900 .
C32A C33A 1.3900 .
C32A H32A 0.9500 .
C33A C34A 1.3900 .
C33A H33A 0.9500 .
C34A C35A 1.3900 .
C34A H34A 0.9500 .
C35A C36A 1.3900 .
C35A H35A 0.9500 .
C36A H36A 0.9500 .
C37 O1 1.437(4) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
O1 Co1 2.150(2) 3_576
O7 Sb1 1.972(2) 3_576
O8 P1 1.490(2) 3_576
O9 P1 1.554(2) 3_576
O10 P2 1.541(2) 3_576
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O5 Co1 N1 C29 149.0(3) . .
O8 Co1 N1 C29 -32.6(3) . .
O7 Co1 N1 C29 36.6(9) . .
O1 Co1 N1 C29 51.3(3) 3_576 .
O6 Co1 N1 C29 -113.7(3) . .
O5 Co1 N1 C25 -20.6(3) . .
O8 Co1 N1 C25 157.9(3) . .
O7 Co1 N1 C25 -132.9(7) . .
O1 Co1 N1 C25 -118.2(3) 3_576 .
O6 Co1 N1 C25 76.8(3) . .
O4 Sb2 C1 C6 -163.3(3) . .
O7 Sb2 C1 C6 21.9(14) . .
O10 Sb2 C1 C6 -71.4(3) . .
O6 Sb2 C1 C6 104.3(3) . .
O9 Sb2 C1 C6 16.1(3) . .
O4 Sb2 C1 C2 12.8(3) . .
O7 Sb2 C1 C2 -162.0(11) . .
O10 Sb2 C1 C2 104.8(3) . .
O6 Sb2 C1 C2 -79.6(3) . .
O9 Sb2 C1 C2 -167.8(3) . .
C6 C1 C2 C3 0.8(6) . .
Sb2 C1 C2 C3 -175.4(3) . .
C1 C2 C3 C4 -0.3(6) . .
C2 C3 C4 C5 -0.7(6) . .
C2 C3 C4 Cl2 177.0(3) . .
C3 C4 C5 C6 1.1(6) . .
Cl2 C4 C5 C6 -176.5(3) . .
C2 C1 C6 C5 -0.4(6) . .
Sb2 C1 C6 C5 175.8(3) . .
C4 C5 C6 C1 -0.6(6) . .
O4 Sb1 C7 C8 143.0(3) . .
O7 Sb1 C7 C8 -10.8(12) 3_576 .
O3 Sb1 C7 C8 -125.9(3) . .
O1 Sb1 C7 C8 48.7(3) . .
O2 Sb1 C7 C8 -38.1(3) . .
O4 Sb1 C7 C12 -34.2(3) . .
O7 Sb1 C7 C12 172.0(8) 3_576 .
O3 Sb1 C7 C12 56.9(3) . .
O1 Sb1 C7 C12 -128.5(3) . .
O2 Sb1 C7 C12 144.7(3) . .
C12 C7 C8 C9 0.5(6) . .
Sb1 C7 C8 C9 -176.8(3) . .
C7 C8 C9 C10 -0.7(6) . .
C8 C9 C10 C11 0.2(6) . .
C8 C9 C10 Cl1 179.2(3) . .
C9 C10 C11 C12 0.5(6) . .
Cl1 C10 C11 C12 -178.4(3) . .
C10 C11 C12 C7 -0.8(6) . .
C8 C7 C12 C11 0.3(5) . .
Sb1 C7 C12 C11 177.6(3) . .
O8 P1 C13 C18 -164.6(3) 3_576 .
O2 P1 C13 C18 -41.2(4) . .
O9 P1 C13 C18 73.8(4) 3_576 .
O8 P1 C13 C14 16.1(3) 3_576 .
O2 P1 C13 C14 139.4(3) . .
O9 P1 C13 C14 -105.5(3) 3_576 .
C18 C13 C14 C15 -1.6(6) . .
P1 C13 C14 C15 177.8(3) . .
C13 C14 C15 C16 2.0(6) . .
C14 C15 C16 C17 -1.3(7) . .
C15 C16 C17 C18 0.2(8) . .
C14 C13 C18 C17 0.5(7) . .
P1 C13 C18 C17 -178.8(4) . .
C16 C17 C18 C13 0.1(8) . .
C29 N1 C25 C26 0.3(7) . .
Co1 N1 C25 C26 170.2(4) . .
N1 C25 C26 C27 -0.7(8) . .
C25 C26 C27 C28 0.7(8) . .
C26 C27 C28 C29 -0.3(8) . .
C25 N1 C29 C28 0.1(6) . .
Co1 N1 C29 C28 -170.1(4) . .
C27 C28 C29 N1 -0.1(7) . .
O5 P2 C31 C32 171.8(5) . .
O10 P2 C31 C32 -65.6(6) 3_576 .
O3 P2 C31 C32 52.1(6) . .
C31A P2 C31 C32 -39(4) . .
O5 P2 C31 C36 -3.7(5) . .
O10 P2 C31 C36 118.9(4) 3_576 .
O3 P2 C31 C36 -123.4(4) . .
C31A P2 C31 C36 146(4) . .
C36 C31 C32 C33 0.0 . .
P2 C31 C32 C33 -175.4(7) . .
C31 C32 C33 C34 0.0 . .
C32 C33 C34 C35 0.0 . .
C33 C34 C35 C36 0.0 . .
C34 C35 C36 C31 0.0 . .
C32 C31 C36 C35 0.0 . .
P2 C31 C36 C35 175.5(7) . .
O5 P2 C31A C32A -171.6(3) . .
O10 P2 C31A C32A -49.5(4) 3_576 .
O3 P2 C31A C32A 65.4(4) . .
C31 P2 C31A C32A 156(4) . .
O5 P2 C31A C36A 14.6(4) . .
O10 P2 C31A C36A 136.7(3) 3_576 .
O3 P2 C31A C36A -108.4(3) . .
C31 P2 C31A C36A -17(4) . .
C36A C31A C32A C33A 0.0 . .
P2 C31A C32A C33A -174.0(5) . .
C31A C32A C33A C34A 0.0 . .
C32A C33A C34A C35A 0.0 . .
C33A C34A C35A C36A 0.0 . .
C34A C35A C36A C31A 0.0 . .
C32A C31A C36A C35A 0.0 . .
P2 C31A C36A C35A 173.6(5) . .
O4 Sb1 O1 C37 -33.3(2) . .
O7 Sb1 O1 C37 -127.6(2) 3_576 .
O3 Sb1 O1 C37 -153.5(4) . .
O2 Sb1 O1 C37 145.1(2) . .
C7 Sb1 O1 C37 58.0(2) . .
O4 Sb1 O1 Co1 104.16(9) . 3_576
O7 Sb1 O1 Co1 9.89(9) 3_576 3_576
O3 Sb1 O1 Co1 -16.1(5) . 3_576
O2 Sb1 O1 Co1 -77.44(9) . 3_576
C7 Sb1 O1 Co1 -164.55(11) . 3_576
O8 P1 O2 Sb1 -54.70(18) 3_576 .
O9 P1 O2 Sb1 70.97(17) 3_576 .
C13 P1 O2 Sb1 -176.25(16) . .
O4 Sb1 O2 P1 -167(2) . .
O7 Sb1 O2 P1 -17.66(15) 3_576 .
O3 Sb1 O2 P1 -108.01(16) . .
O1 Sb1 O2 P1 62.82(15) . .
C7 Sb1 O2 P1 159.43(17) . .
O5 P2 O3 Sb1 100.0(2) . .
O10 P2 O3 Sb1 -28.3(2) 3_576 .
C31 P2 O3 Sb1 -144.9(4) . .
C31A P2 O3 Sb1 -137.1(3) . .
O4 Sb1 O3 P2 -91.5(2) . .
O7 Sb1 O3 P2 3.4(2) 3_576 .
O1 Sb1 O3 P2 29.0(6) . .
O2 Sb1 O3 P2 90.3(2) . .
C7 Sb1 O3 P2 177.7(2) . .
O7 Sb2 O4 Sb1 -19.8(2) . .
O10 Sb2 O4 Sb1 70.5(2) . .
O6 Sb2 O4 Sb1 -99.7(2) . .
O9 Sb2 O4 Sb1 117(6) . .
C1 Sb2 O4 Sb1 160.7(2) . .
O7 Sb1 O4 Sb2 -14.5(2) 3_576 .
O3 Sb1 O4 Sb2 75.8(2) . .
O1 Sb1 O4 Sb2 -95.2(2) . .
O2 Sb1 O4 Sb2 134(2) . .
C7 Sb1 O4 Sb2 168.3(2) . .
O10 P2 O5 Co1 62.9(2) 3_576 .
O3 P2 O5 Co1 -63.8(2) . .
C31 P2 O5 Co1 -177.2(4) . .
C31A P2 O5 Co1 178.6(3) . .
O8 Co1 O5 P2 165.9(12) . .
N1 Co1 O5 P2 -171.8(2) . .
O7 Co1 O5 P2 0.9(2) . .
O1 Co1 O5 P2 -73.1(2) 3_576 .
O6 Co1 O5 P2 74.2(2) . .
O4 Sb2 O6 C30 -121.6(2) . .
O7 Sb2 O6 C30 145.1(2) . .
O10 Sb2 O6 C30 126.0(5) . .
O9 Sb2 O6 C30 58.0(2) . .
C1 Sb2 O6 C30 -29.7(2) . .
O4 Sb2 O6 Co1 103.97(9) . .
O7 Sb2 O6 Co1 10.69(9) . .
O10 Sb2 O6 Co1 -8.4(5) . .
O9 Sb2 O6 Co1 -76.50(9) . .
C1 Sb2 O6 Co1 -164.15(11) . .
O5 Co1 O6 C30 124.4(2) . .
O8 Co1 O6 C30 -51.6(2) . .
N1 Co1 O6 C30 32.0(3) . .
O7 Co1 O6 C30 -144.0(2) . .
O1 Co1 O6 C30 -122.0(2) 3_576 .
O5 Co1 O6 Sb2 -101.82(10) . .
O8 Co1 O6 Sb2 82.27(10) . .
N1 Co1 O6 Sb2 165.83(11) . .
O7 Co1 O6 Sb2 -10.13(8) . .
O1 Co1 O6 Sb2 11.78(19) 3_576 .
O4 Sb2 O7 Sb1 129.72(16) . 3_576
O10 Sb2 O7 Sb1 37.74(16) . 3_576
O6 Sb2 O7 Sb1 -138.80(17) . 3_576
O9 Sb2 O7 Sb1 -49.73(16) . 3_576
C1 Sb2 O7 Sb1 -55.5(13) . 3_576
O4 Sb2 O7 Co1 -102.41(10) . .
O10 Sb2 O7 Co1 165.62(10) . .
O6 Sb2 O7 Co1 -10.93(9) . .
O9 Sb2 O7 Co1 78.15(10) . .
C1 Sb2 O7 Co1 72.3(12) . .
O5 Co1 O7 Sb1 -106.54(10) . 3_576
O8 Co1 O7 Sb1 74.51(10) . 3_576
N1 Co1 O7 Sb1 5.5(8) . 3_576
O1 Co1 O7 Sb1 -9.63(8) 3_576 3_576
O6 Co1 O7 Sb1 157.23(11) . 3_576
O5 Co1 O7 Sb2 106.70(10) . .
O8 Co1 O7 Sb2 -72.25(10) . .
N1 Co1 O7 Sb2 -141.2(7) . .
O1 Co1 O7 Sb2 -156.39(11) 3_576 .
O6 Co1 O7 Sb2 10.48(9) . .
O5 Co1 O8 P1 -167.0(12) . 3_576
N1 Co1 O8 P1 170.71(16) . 3_576
O7 Co1 O8 P1 -1.99(15) . 3_576
O1 Co1 O8 P1 71.60(15) 3_576 3_576
O6 Co1 O8 P1 -74.78(14) . 3_576
O4 Sb2 O9 P1 -156(6) . 3_576
O7 Sb2 O9 P1 -19.19(15) . 3_576
O10 Sb2 O9 P1 -109.49(15) . 3_576
O6 Sb2 O9 P1 60.67(15) . 3_576
C1 Sb2 O9 P1 160.29(17) . 3_576
O4 Sb2 O10 P2 -91.5(2) . 3_576
O7 Sb2 O10 P2 2.1(2) . 3_576
O6 Sb2 O10 P2 20.9(6) . 3_576
O9 Sb2 O10 P2 89.1(2) . 3_576
C1 Sb2 O10 P2 177.0(2) . 3_576
