#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:28:01 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179971 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/65/7026513.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_7026513
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            'C56 H60 Cl4 Co2 O24 P4 Sb4'
_chemical_formula_weight         1987.58
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.7145(18)
_cell_angle_beta                 106.7716(17)
_cell_angle_gamma                101.3563(15)
_cell_formula_units_Z            1
_cell_length_a                   11.1154(2)
_cell_length_b                   12.1890(2)
_cell_length_c                   14.4207(3)
_cell_measurement_reflns_used    24364
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.3598
_cell_measurement_theta_min      2.6436
_cell_volume                     1762.39(6)
_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  0.0202
_diffrn_reflns_av_sigmaI/netI    0.0145
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            35037
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         4.11
_exptl_absorpt_coefficient_mu    2.287
_exptl_absorpt_correction_T_max  0.8035
_exptl_absorpt_correction_T_min  0.4614
_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            pink
_exptl_crystal_density_diffrn    1.873
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             974
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.909
_refine_diff_density_min         -0.761
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         7175
_refine_ls_number_restraints     308
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0208
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0221P)²+3.1128P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0477
_refine_ls_wR_factor_ref         0.0539
_reflns_number_gt                6152
_reflns_number_total             7175
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00482k.txt
_cod_data_source_block           orepw819
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7026513
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.285623(15) 0.332547(14) 0.408640(12) 0.01182(5) Uani 1 1 d . . .
Sb2 Sb 0.589216(15) 0.373837(14) 0.614727(12) 0.01152(5) Uani 1 1 d . . .
P1 P 0.50671(6) 0.60718(5) 0.71258(5) 0.01163(12) Uani 1 1 d . . .
P2 P 0.88635(6) 0.52705(6) 0.71298(5) 0.01550(14) Uani 1 1 d . . .
O1 O 0.41433(16) 0.30951(15) 0.51926(13) 0.0149(4) Uani 1 1 d . . .
O2 O 0.77140(17) 0.44045(16) 0.72267(13) 0.0162(4) Uani 1 1 d . A .
O3 O 0.92088(17) 0.47818(17) 0.62226(13) 0.0181(4) Uani 1 1 d . A .
O4 O 0.52679(17) 0.48387(15) 0.70127(13) 0.0146(4) Uani 1 1 d . . .
O5 O 0.35907(16) 0.50367(14) 0.44835(12) 0.0117(3) Uani 1 1 d . . .
O6 O 0.39574(17) 0.31607(15) 0.32144(13) 0.0148(4) Uani 1 1 d . . .
O7 O 0.18106(17) 0.38306(16) 0.49476(13) 0.0164(4) Uani 1 1 d . . .
O8 O 0.14814(16) 0.35610(16) 0.28924(13) 0.0159(4) Uani 1 1 d . . .
O9 O 0.89075(18) 0.37835(18) 0.41461(14) 0.0224(4) Uani 1 1 d . . .
O10 O 0.63171(17) 0.39281(16) 0.33675(13) 0.0165(4) Uani 1 1 d . . .
O11 O 0.67136(18) 0.29078(15) 0.52353(13) 0.0166(4) Uani 1 1 d . . .
C1 C 0.1857(3) 0.1528(2) 0.3568(2) 0.0182(5) Uani 1 1 d U . .
C2 C 0.2177(3) 0.0800(3) 0.4178(2) 0.0251(6) Uani 1 1 d U . .
H2 H 0.2863 0.1112 0.4811 0.030 Uiso 1 1 calc R . .
C3 C 0.1507(3) -0.0371(3) 0.3876(2) 0.0293(7) Uani 1 1 d U . .
H3 H 0.1715 -0.0858 0.4301 0.035 Uiso 1 1 calc R . .
C4 C 0.0534(3) -0.0815(3) 0.2944(2) 0.0278(7) Uani 1 1 d U . .
C5 C 0.0214(3) -0.0128(3) 0.2313(2) 0.0333(7) Uani 1 1 d U . .
H5 H -0.0451 -0.0452 0.1670 0.040 Uiso 1 1 calc R . .
C6 C 0.0881(3) 0.1046(3) 0.2631(2) 0.0277(7) Uani 1 1 d U . .
H6 H 0.0667 0.1527 0.2201 0.033 Uiso 1 1 calc R . .
C7 C 0.5621(3) 0.2416(2) 0.68751(19) 0.0187(5) Uani 1 1 d U . .
C8 C 0.6642(3) 0.1948(3) 0.7247(2) 0.0265(6) Uani 1 1 d U . .
H8 H 0.7477 0.2263 0.7215 0.032 Uiso 1 1 calc R . .
C9 C 0.6457(4) 0.1025(3) 0.7665(2) 0.0347(7) Uani 1 1 d U . .
H9 H 0.7158 0.0708 0.7920 0.042 Uiso 1 1 calc R . .
C10 C 0.5243(4) 0.0577(3) 0.7704(2) 0.0317(7) Uani 1 1 d U . .
C11 C 0.4207(3) 0.1017(3) 0.7335(2) 0.0310(7) Uani 1 1 d U . .
H11 H 0.3373 0.0690 0.7364 0.037 Uiso 1 1 calc R . .
C12 C 0.4398(3) 0.1944(2) 0.6919(2) 0.0247(6) Uani 1 1 d U . .
H12 H 0.3693 0.2256 0.6665 0.030 Uiso 1 1 calc R . .
C13 C 0.5590(3) 0.6692(2) 0.84614(19) 0.0167(5) Uani 1 1 d . . .
C14 C 0.4796(3) 0.7053(3) 0.8958(2) 0.0279(7) Uani 1 1 d . . .
H14 H 0.3913 0.6987 0.8589 0.033 Uiso 1 1 calc R . .
C15 C 0.5275(3) 0.7517(3) 1.0003(2) 0.0350(8) Uani 1 1 d . . .
H15 H 0.4723 0.7771 1.0344 0.042 Uiso 1 1 calc R . .
C16 C 0.6548(3) 0.7605(3) 1.0537(2) 0.0369(8) Uani 1 1 d . . .
H16 H 0.6868 0.7896 1.1251 0.044 Uiso 1 1 calc R . .
C17 C 0.7353(4) 0.7278(5) 1.0049(3) 0.0676(16) Uani 1 1 d . . .
H17 H 0.8240 0.7358 1.0418 0.081 Uiso 1 1 calc R . .
C18 C 0.6876(4) 0.6825(5) 0.9009(3) 0.0624(15) Uani 1 1 d . . .
H18 H 0.7443 0.6603 0.8669 0.075 Uiso 1 1 calc R . .
C19 C 0.6006(3) 0.1760(2) 0.4583(2) 0.0222(6) Uani 1 1 d . . .
H19A H 0.5632 0.1291 0.4961 0.033 Uiso 1 1 calc R . .
H19B H 0.6601 0.1393 0.4330 0.033 Uiso 1 1 calc R . .
H19C H 0.5303 0.1815 0.4015 0.033 Uiso 1 1 calc R . .
C20 C 0.1563(3) 0.3271(3) 0.5681(2) 0.0234(6) Uani 1 1 d . . .
H20A H 0.1411 0.2429 0.5424 0.035 Uiso 1 1 calc R . .
H20B H 0.0791 0.3431 0.5816 0.035 Uiso 1 1 calc R . .
H20C H 0.2320 0.3571 0.6306 0.035 Uiso 1 1 calc R . .
Cl1 Cl -0.02761(9) -0.22989(7) 0.25493(6) 0.0423(2) Uani 1 1 d . . .
C21 C 1.0236(9) 0.5690(7) 0.8299(4) 0.019(2) Uani 0.491(11) 1 d PGU A 1
C22 C 1.1187(12) 0.5091(8) 0.8365(7) 0.023(2) Uani 0.491(11) 1 d PGU A 1
H22 H 1.1182 0.4565 0.7778 0.028 Uiso 0.491(11) 1 calc PR A 1
C23 C 1.2144(9) 0.5261(9) 0.9289(9) 0.025(2) Uani 0.491(11) 1 d PGU A 1
H23 H 1.2794 0.4852 0.9333 0.030 Uiso 0.491(11) 1 calc PR A 1
C24 C 1.2151(6) 0.6031(8) 1.0147(7) 0.038(3) Uani 0.491(11) 1 d PGU A 1
H24 H 1.2805 0.6147 1.0778 0.046 Uiso 0.491(11) 1 calc PR A 1
C25 C 1.1200(6) 0.6630(8) 1.0081(4) 0.0335(18) Uani 0.491(11) 1 d PGU A 1
H25 H 1.1205 0.7155 1.0668 0.040 Uiso 0.491(11) 1 calc PR A 1
C26 C 1.0243(6) 0.6459(7) 0.9158(4) 0.0267(16) Uani 0.491(11) 1 d PGU A 1
H26 H 0.9593 0.6868 0.9113 0.032 Uiso 0.491(11) 1 calc PR A 1
Co1 Co 0.76349(3) 0.43351(3) 0.47893(3) 0.01440(8) Uani 1 1 d . . 1
C21A C 1.0158(8) 0.5471(6) 0.8276(4) 0.0150(18) Uani 0.509(11) 1 d PGU A 2
C22A C 1.1327(10) 0.5233(9) 0.8267(6) 0.0163(18) Uani 0.509(11) 1 d PGU A 2
H22A H 1.1447 0.4955 0.7644 0.020 Uiso 0.509(11) 1 calc PR A 2
C23A C 1.2322(8) 0.5400(9) 0.9170(9) 0.029(2) Uani 0.509(11) 1 d PGU A 2
H23A H 1.3122 0.5237 0.9163 0.035 Uiso 0.509(11) 1 calc PR A 2
C24A C 1.2148(5) 0.5806(7) 1.0081(6) 0.032(2) Uani 0.509(11) 1 d PGU A 2
H24A H 1.2828 0.5920 1.0698 0.038 Uiso 0.509(11) 1 calc PR A 2
C25A C 1.0978(6) 0.6045(7) 1.0090(4) 0.0338(17) Uani 0.509(11) 1 d PGU A 2
H25A H 1.0859 0.6322 1.0713 0.041 Uiso 0.509(11) 1 calc PR A 2
C26A C 0.9983(5) 0.5877(7) 0.9188(4) 0.0266(16) Uani 0.509(11) 1 d PGU A 2
H26A H 0.9184 0.6040 0.9194 0.032 Uiso 0.509(11) 1 calc PR A 2
Cl2 Cl 0.50028(12) -0.05774(7) 0.82337(7) 0.0501(3) Uani 1 1 d . . .
C27 C 0.8561(3) 0.2688(3) 0.3422(3) 0.0318(7) Uani 1 1 d . . .
H27A H 0.7622 0.2328 0.3221 0.048 Uiso 1 1 calc R . .
H27B H 0.9047 0.2180 0.3716 0.048 Uiso 1 1 calc R . .
H27C H 0.8777 0.2802 0.2829 0.048 Uiso 1 1 calc R . .
C28 C 0.2180(18) 0.9069(15) 0.9492(10) 0.153(10) Uani 0.491(11) 1 d PD A 1
H56A H 0.3129 0.9217 0.9674 0.229 Uiso 0.491(11) 1 calc PR A 1
H56B H 0.1796 0.9053 0.8785 0.229 Uiso 0.491(11) 1 calc PR A 1
H56C H 0.1815 0.8318 0.9588 0.229 Uiso 0.491(11) 1 calc PR A 1
O20 O 0.189(2) 0.995(2) 1.0105(19) 0.164(7) Uani 0.491(11) 1 d PDU A 1
C28A C -0.011(3) 0.9039(12) 0.9829(9) 0.158(10) Uani 0.509(11) 1 d PD A 2
H56D H -0.0116 0.8217 0.9677 0.237 Uiso 0.509(11) 1 calc PR A 2
H56E H -0.0649 0.9193 0.9225 0.237 Uiso 0.509(11) 1 calc PR A 2
H56F H -0.0468 0.9218 1.0371 0.237 Uiso 0.509(11) 1 calc PR A 2
O20A O 0.123(2) 0.977(3) 1.015(2) 0.218(10) Uani 0.509(11) 1 d PDU A 2
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'
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
O1 Sb1 O5 94.55(7) . .
O1 Sb1 O6 91.86(7) . .
O5 Sb1 O6 89.43(7) . .
O1 Sb1 O7 92.93(7) . .
O5 Sb1 O7 79.52(7) . .
O6 Sb1 O7 168.26(7) . .
O1 Sb1 O8 179.47(8) . .
O5 Sb1 O8 85.77(7) . .
O6 Sb1 O8 87.72(7) . .
O7 Sb1 O8 87.54(7) . .
O1 Sb1 C1 91.73(9) . .
O5 Sb1 C1 173.18(9) . .
O6 Sb1 C1 93.02(9) . .
O7 Sb1 C1 97.53(9) . .
O8 Sb1 C1 87.97(9) . .
O1 Sb2 O5 95.81(7) . 2_666
O1 Sb2 O4 90.25(7) . .
O5 Sb2 O4 89.99(7) 2_666 .
O1 Sb2 O11 94.18(7) . .
O5 Sb2 O11 79.56(7) 2_666 .
O4 Sb2 O11 169.00(7) . .
O1 Sb2 O2 176.75(7) . .
O5 Sb2 O2 86.82(7) 2_666 .
O4 Sb2 O2 87.84(7) . .
O11 Sb2 O2 88.17(7) . .
O1 Sb2 C7 91.03(9) . .
O5 Sb2 C7 171.74(9) 2_666 .
O4 Sb2 C7 94.63(9) . .
O11 Sb2 C7 95.35(9) . .
O2 Sb2 C7 86.51(9) . .
O10 P1 O6 112.79(10) 2_666 2_666
O10 P1 O4 113.60(10) 2_666 .
O6 P1 O4 110.62(10) 2_666 .
O10 P1 C13 110.79(11) 2_666 .
O6 P1 C13 104.37(11) 2_666 .
O4 P1 C13 103.92(11) . .
O3 P2 O2 112.01(11) . .
O3 P2 O8 111.91(11) . 2_666
O2 P2 O8 109.04(10) . 2_666
O3 P2 C21A 111.3(2) . .
O2 P2 C21A 102.7(3) . .
O8 P2 C21A 109.4(3) 2_666 .
O3 P2 C21 112.7(3) . .
O2 P2 C21 108.7(3) . .
O8 P2 C21 102.0(3) 2_666 .
C21A P2 C21 8.1(4) . .
Sb1 O1 Sb2 144.32(10) . .
P2 O2 Sb2 124.52(10) . .
P2 O3 Co1 114.66(10) . .
P1 O4 Sb2 138.61(11) . .
Sb2 O5 Sb1 138.24(9) 2_666 .
Sb2 O5 Co1 103.71(7) 2_666 2_666
Sb1 O5 Co1 103.38(7) . 2_666
P1 O6 Sb1 139.77(11) 2_666 .
C20 O7 Sb1 123.25(16) . .
C20 O7 Co1 123.48(16) . 2_666
Sb1 O7 Co1 101.63(7) . 2_666
P2 O8 Sb1 124.23(10) 2_666 .
C27 O9 Co1 122.70(17) . .
P1 O10 Co1 138.26(11) 2_666 .
C19 O11 Sb2 119.01(16) . .
C19 O11 Co1 125.66(16) . .
Sb2 O11 Co1 100.60(8) . .
C6 C1 C2 118.6(3) . .
C6 C1 Sb1 121.7(2) . .
C2 C1 Sb1 119.72(19) . .
C3 C2 C1 121.1(3) . .
C3 C2 H2 119.5 . .
C1 C2 H2 119.5 . .
C4 C3 C2 118.7(3) . .
C4 C3 H3 120.7 . .
C2 C3 H3 120.7 . .
C5 C4 C3 121.8(3) . .
C5 C4 Cl1 119.6(2) . .
C3 C4 Cl1 118.6(2) . .
C4 C5 C6 118.9(3) . .
C4 C5 H5 120.5 . .
C6 C5 H5 120.5 . .
C5 C6 C1 121.0(3) . .
C5 C6 H6 119.5 . .
C1 C6 H6 119.5 . .
C8 C7 C12 119.3(3) . .
C8 C7 Sb2 119.9(2) . .
C12 C7 Sb2 120.6(2) . .
C9 C8 C7 120.7(3) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C10 C9 C8 119.0(3) . .
C10 C9 H9 120.5 . .
C8 C9 H9 120.5 . .
C9 C10 C11 121.7(3) . .
C9 C10 Cl2 119.3(3) . .
C11 C10 Cl2 119.0(3) . .
C10 C11 C12 119.2(3) . .
C10 C11 H11 120.4 . .
C12 C11 H11 120.4 . .
C11 C12 C7 120.1(3) . .
C11 C12 H12 119.9 . .
C7 C12 H12 119.9 . .
C14 C13 C18 118.8(3) . .
C14 C13 P1 123.9(2) . .
C18 C13 P1 117.3(2) . .
C13 C14 C15 120.4(3) . .
C13 C14 H14 119.8 . .
C15 C14 H14 119.8 . .
C16 C15 C14 119.8(3) . .
C16 C15 H15 120.1 . .
C14 C15 H15 120.1 . .
C17 C16 C15 120.3(3) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 C18 119.8(3) . .
C16 C17 H17 120.1 . .
C18 C17 H17 120.1 . .
C13 C18 C17 120.9(3) . .
C13 C18 H18 119.5 . .
C17 C18 H18 119.5 . .
O11 C19 H19A 109.5 . .
O11 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
O11 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O7 C20 H20A 109.5 . .
O7 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
O7 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 C26 120.0 . .
C22 C21 P2 118.3(5) . .
C26 C21 P2 121.0(5) . .
C21 C22 C23 120.0 . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C24 C23 C22 120.0 . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C25 C24 C23 120.0 . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C26 120.0 . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
C25 C26 C21 120.0 . .
C25 C26 H26 120.0 . .
C21 C26 H26 120.0 . .
O10 Co1 O9 87.54(7) . .
O10 Co1 O5 95.13(7) . 2_666
O9 Co1 O5 176.97(7) . 2_666
O10 Co1 O7 97.85(7) . 2_666
O9 Co1 O7 103.88(8) . 2_666
O5 Co1 O7 74.39(7) 2_666 2_666
O10 Co1 O11 97.21(7) . .
O9 Co1 O11 107.22(8) . .
O5 Co1 O11 73.89(7) 2_666 .
O7 Co1 O11 145.86(7) 2_666 .
O10 Co1 O3 173.42(7) . .
O9 Co1 O3 86.38(7) . .
O5 Co1 O3 90.88(7) 2_666 .
O7 Co1 O3 81.20(7) 2_666 .
O11 Co1 O3 86.99(7) . .
C22A C21A C26A 120.0 . .
C22A C21A P2 121.1(5) . .
C26A C21A P2 118.9(5) . .
C23A C22A C21A 120.0 . .
C23A C22A H22A 120.0 . .
C21A C22A H22A 120.0 . .
C22A C23A C24A 120.0 . .
C22A C23A H23A 120.0 . .
C24A C23A H23A 120.0 . .
C25A C24A C23A 120.0 . .
C25A C24A H24A 120.0 . .
C23A C24A H24A 120.0 . .
C24A C25A C26A 120.0 . .
C24A C25A H25A 120.0 . .
C26A C25A H25A 120.0 . .
C25A C26A C21A 120.0 . .
C25A C26A H26A 120.0 . .
C21A C26A H26A 120.0 . .
O9 C27 H27A 109.5 . .
O9 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
O9 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O20A C28A H56D 109.5 . .
O20A C28A H56E 109.5 . .
H56D C28A H56E 109.5 . .
O20A C28A H56F 109.5 . .
H56D C28A H56F 109.5 . .
H56E C28A H56F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 O1 1.9218(17) .
Sb1 O5 1.9798(17) .
Sb1 O6 2.0005(17) .
Sb1 O7 2.0191(17) .
Sb1 O8 2.0584(17) .
Sb1 C1 2.119(3) .
Sb2 O1 1.9251(17) .
Sb2 O5 1.9755(17) 2_666
Sb2 O4 2.0061(17) .
Sb2 O11 2.0259(18) .
Sb2 O2 2.0501(17) .
Sb2 C7 2.114(3) .
P1 O10 1.4973(18) 2_666
P1 O6 1.5445(18) 2_666
P1 O4 1.5457(18) .
P1 C13 1.791(3) .
P2 O3 1.5091(19) .
P2 O2 1.5486(19) .
P2 O8 1.5502(19) 2_666
P2 C21A 1.785(6) .
P2 C21 1.815(7) .
O3 Co1 2.1704(18) .
O5 Sb2 1.9755(17) 2_666
O5 Co1 2.1097(17) 2_666
O6 P1 1.5445(18) 2_666
O7 C20 1.430(3) .
O7 Co1 2.1214(19) 2_666
O8 P2 1.5502(19) 2_666
O9 C27 1.422(4) .
O9 Co1 2.0474(18) .
O10 P1 1.4972(18) 2_666
O10 Co1 2.0403(18) .
O11 C19 1.437(3) .
O11 Co1 2.1499(19) .
C1 C6 1.389(4) .
C1 C2 1.395(4) .
C2 C3 1.387(4) .
C2 H2 0.9500 .
C3 C4 1.380(4) .
C3 H3 0.9500 .
C4 C5 1.377(4) .
C4 Cl1 1.746(3) .
C5 C6 1.388(4) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.389(4) .
C7 C12 1.392(4) .
C8 C9 1.388(4) .
C8 H8 0.9500 .
C9 C10 1.375(5) .
C9 H9 0.9500 .
C10 C11 1.379(5) .
C10 Cl2 1.743(3) .
C11 C12 1.392(4) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.370(4) .
C13 C18 1.377(4) .
C14 C15 1.395(4) .
C14 H14 0.9500 .
C15 C16 1.373(5) .
C15 H15 0.9500 .
C16 C17 1.358(5) .
C16 H16 0.9500 .
C17 C18 1.387(5) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.3900 .
C21 C26 1.3900 .
C22 C23 1.3900 .
C22 H22 0.9500 .
C23 C24 1.3900 .
C23 H23 0.9500 .
C24 C25 1.3900 .
C24 H24 0.9500 .
C25 C26 1.3900 .
C25 H25 0.9500 .
C26 H26 0.9500 .
Co1 O5 2.1097(17) 2_666
Co1 O7 2.1215(19) 2_666
C21A C22A 1.3900 .
C21A C26A 1.3900 .
C22A C23A 1.3900 .
C22A H22A 0.9500 .
C23A C24A 1.3900 .
C23A H23A 0.9500 .
C24A C25A 1.3900 .
C24A H24A 0.9500 .
C25A C26A 1.3900 .
C25A H25A 0.9500 .
C26A H26A 0.9500 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 O20 1.398(18) .
C28 H56A 0.9800 .
C28 H56B 0.9800 .
C28 H56C 0.9800 .
C28A O20A 1.460(17) .
C28A H56D 0.9800 .
C28A H56E 0.9800 .
C28A H56F 0.9800 .
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 Sb1 O1 Sb2 -24.76(18) . .
O6 Sb1 O1 Sb2 64.81(18) . .
O7 Sb1 O1 Sb2 -104.48(17) . .
O8 Sb1 O1 Sb2 102(8) . .
C1 Sb1 O1 Sb2 157.89(18) . .
O5 Sb2 O1 Sb1 -9.42(18) 2_666 .
O4 Sb2 O1 Sb1 80.60(18) . .
O11 Sb2 O1 Sb1 -89.33(18) . .
O2 Sb2 O1 Sb1 134.5(12) . .
C7 Sb2 O1 Sb1 175.23(18) . .
O3 P2 O2 Sb2 -58.71(15) . .
O8 P2 O2 Sb2 65.72(14) 2_666 .
C21A P2 O2 Sb2 -178.3(3) . .
C21 P2 O2 Sb2 176.1(3) . .
O1 Sb2 O2 P2 -158.0(12) . .
O5 Sb2 O2 P2 -13.97(13) 2_666 .
O4 Sb2 O2 P2 -104.08(13) . .
O11 Sb2 O2 P2 65.67(13) . .
C7 Sb2 O2 P2 161.14(14) . .
O2 P2 O3 Co1 59.74(14) . .
O8 P2 O3 Co1 -63.08(13) 2_666 .
C21A P2 O3 Co1 174.1(3) . .
C21 P2 O3 Co1 -177.3(3) . .
O10 P1 O4 Sb2 99.15(17) 2_666 .
O6 P1 O4 Sb2 -28.87(19) 2_666 .
C13 P1 O4 Sb2 -140.36(16) . .
O1 Sb2 O4 P1 -89.12(17) . .
O5 Sb2 O4 P1 6.69(17) 2_666 .
O11 Sb2 O4 P1 24.7(5) . .
O2 Sb2 O4 P1 93.50(17) . .
C7 Sb2 O4 P1 179.82(17) . .
O1 Sb1 O5 Sb2 130.49(13) . 2_666
O6 Sb1 O5 Sb2 38.67(14) . 2_666
O7 Sb1 O5 Sb2 -137.36(14) . 2_666
O8 Sb1 O5 Sb2 -49.08(13) . 2_666
C1 Sb1 O5 Sb2 -72.4(7) . 2_666
O1 Sb1 O5 Co1 -100.28(8) . 2_666
O6 Sb1 O5 Co1 167.90(8) . 2_666
O7 Sb1 O5 Co1 -8.13(7) . 2_666
O8 Sb1 O5 Co1 80.14(8) . 2_666
C1 Sb1 O5 Co1 56.8(7) . 2_666
O1 Sb1 O6 P1 -97.54(17) . 2_666
O5 Sb1 O6 P1 -3.01(17) . 2_666
O7 Sb1 O6 P1 16.6(5) . 2_666
O8 Sb1 O6 P1 82.78(17) . 2_666
C1 Sb1 O6 P1 170.63(18) . 2_666
O1 Sb1 O7 C20 -41.8(2) . .
O5 Sb1 O7 C20 -135.9(2) . .
O6 Sb1 O7 C20 -155.8(3) . .
O8 Sb1 O7 C20 137.9(2) . .
C1 Sb1 O7 C20 50.3(2) . .
O1 Sb1 O7 Co1 102.12(8) . 2_666
O5 Sb1 O7 Co1 8.03(7) . 2_666
O6 Sb1 O7 Co1 -11.9(4) . 2_666
O8 Sb1 O7 Co1 -78.12(8) . 2_666
C1 Sb1 O7 Co1 -165.75(9) . 2_666
O1 Sb1 O8 P2 -148(8) . 2_666
O5 Sb1 O8 P2 -21.18(12) . 2_666
O6 Sb1 O8 P2 -110.77(13) . 2_666
O7 Sb1 O8 P2 58.49(13) . 2_666
C1 Sb1 O8 P2 156.12(14) . 2_666
O1 Sb2 O11 C19 -34.84(18) . .
O5 Sb2 O11 C19 -129.99(18) 2_666 .
O4 Sb2 O11 C19 -148.3(3) . .
O2 Sb2 O11 C19 142.91(18) . .
C7 Sb2 O11 C19 56.59(19) . .
O1 Sb2 O11 Co1 106.61(8) . .
O5 Sb2 O11 Co1 11.46(7) 2_666 .
O4 Sb2 O11 Co1 -6.9(4) . .
O2 Sb2 O11 Co1 -75.64(8) . .
C7 Sb2 O11 Co1 -161.96(9) . .
O1 Sb1 C1 C6 -168.6(2) . .
O5 Sb1 C1 C6 34.2(8) . .
O6 Sb1 C1 C6 -76.7(2) . .
O7 Sb1 C1 C6 98.2(2) . .
O8 Sb1 C1 C6 10.9(2) . .
O1 Sb1 C1 C2 11.5(2) . .
O5 Sb1 C1 C2 -145.6(6) . .
O6 Sb1 C1 C2 103.5(2) . .
O7 Sb1 C1 C2 -81.6(2) . .
O8 Sb1 C1 C2 -168.9(2) . .
C6 C1 C2 C3 -2.2(5) . .
Sb1 C1 C2 C3 177.6(2) . .
C1 C2 C3 C4 1.5(5) . .
C2 C3 C4 C5 0.0(5) . .
C2 C3 C4 Cl1 178.2(3) . .
C3 C4 C5 C6 -0.8(5) . .
Cl1 C4 C5 C6 -179.0(3) . .
C4 C5 C6 C1 0.1(5) . .
C2 C1 C6 C5 1.4(5) . .
Sb1 C1 C6 C5 -178.4(3) . .
O1 Sb2 C7 C8 142.6(2) . .
O5 Sb2 C7 C8 -3.3(7) 2_666 .
O4 Sb2 C7 C8 -127.1(2) . .
O11 Sb2 C7 C8 48.3(2) . .
O2 Sb2 C7 C8 -39.6(2) . .
O1 Sb2 C7 C12 -32.5(2) . .
O5 Sb2 C7 C12 -178.4(5) 2_666 .
O4 Sb2 C7 C12 57.8(2) . .
O11 Sb2 C7 C12 -126.8(2) . .
O2 Sb2 C7 C12 145.3(2) . .
C12 C7 C8 C9 -0.4(4) . .
Sb2 C7 C8 C9 -175.6(2) . .
C7 C8 C9 C10 0.1(5) . .
C8 C9 C10 C11 0.4(5) . .
C8 C9 C10 Cl2 -179.7(2) . .
C9 C10 C11 C12 -0.6(5) . .
Cl2 C10 C11 C12 179.5(2) . .
C10 C11 C12 C7 0.3(4) . .
C8 C7 C12 C11 0.2(4) . .
Sb2 C7 C12 C11 175.3(2) . .
O10 P1 C13 C14 3.4(3) 2_666 .
O6 P1 C13 C14 125.1(3) 2_666 .
O4 P1 C13 C14 -119.0(3) . .
O10 P1 C13 C18 -175.6(3) 2_666 .
O6 P1 C13 C18 -53.9(3) 2_666 .
O4 P1 C13 C18 62.1(3) . .
C18 C13 C14 C15 -1.7(5) . .
P1 C13 C14 C15 179.3(3) . .
C13 C14 C15 C16 -0.4(5) . .
C14 C15 C16 C17 2.2(6) . .
C15 C16 C17 C18 -1.7(8) . .
C14 C13 C18 C17 2.2(7) . .
P1 C13 C18 C17 -178.8(4) . .
C16 C17 C18 C13 -0.5(9) . .
O3 P2 C21 C22 -29.3(5) . .
O2 P2 C21 C22 95.4(4) . .
O8 P2 C21 C22 -149.5(4) 2_666 .
C21A P2 C21 C22 53(3) . .
O3 P2 C21 C26 160.5(4) . .
O2 P2 C21 C26 -74.7(5) . .
O8 P2 C21 C26 40.4(5) 2_666 .
C21A P2 C21 C26 -117(4) . .
C26 C21 C22 C23 0.0 . .
P2 C21 C22 C23 -170.3(6) . .
C21 C22 C23 C24 0.0 . .
C22 C23 C24 C25 0.0 . .
C23 C24 C25 C26 0.0 . .
C24 C25 C26 C21 0.0 . .
C22 C21 C26 C25 0.0 . .
P2 C21 C26 C25 170.0(6) . .
P1 O10 Co1 O9 177.36(18) 2_666 .
P1 O10 Co1 O5 -4.06(18) 2_666 2_666
P1 O10 Co1 O7 -78.97(18) 2_666 2_666
P1 O10 Co1 O11 70.31(18) 2_666 .
P1 O10 Co1 O3 -160.2(6) 2_666 .
C27 O9 Co1 O10 -50.6(2) . .
C27 O9 Co1 O5 157.2(14) . 2_666
C27 O9 Co1 O7 -148.1(2) . 2_666
C27 O9 Co1 O11 46.2(2) . .
C27 O9 Co1 O3 131.9(2) . .
C19 O11 Co1 O10 33.6(2) . .
Sb2 O11 Co1 O10 -104.27(8) . .
C19 O11 Co1 O9 -56.1(2) . .
Sb2 O11 Co1 O9 166.08(7) . .
C19 O11 Co1 O5 126.9(2) . 2_666
Sb2 O11 Co1 O5 -10.98(7) . 2_666
C19 O11 Co1 O7 149.20(18) . 2_666
Sb2 O11 Co1 O7 11.32(16) . 2_666
C19 O11 Co1 O3 -141.32(19) . .
Sb2 O11 Co1 O3 80.81(8) . .
P2 O3 Co1 O10 159.0(6) . .
P2 O3 Co1 O9 -178.49(13) . .
P2 O3 Co1 O5 2.81(12) . 2_666
P2 O3 Co1 O7 76.86(12) . 2_666
P2 O3 Co1 O11 -71.01(12) . .
O3 P2 C21A C22A 2.5(5) . .
O2 P2 C21A C22A 122.5(4) . .
O8 P2 C21A C22A -121.8(4) 2_666 .
C21 P2 C21A C22A -99(3) . .
O3 P2 C21A C26A -177.7(4) . .
O2 P2 C21A C26A -57.7(5) . .
O8 P2 C21A C26A 58.0(5) 2_666 .
C21 P2 C21A C26A 81(3) . .
C26A C21A C22A C23A 0.0 . .
P2 C21A C22A C23A 179.8(5) . .
C21A C22A C23A C24A 0.0 . .
C22A C23A C24A C25A 0.0 . .
C23A C24A C25A C26A 0.0 . .
C24A C25A C26A C21A 0.0 . .
C22A C21A C26A C25A 0.0 . .
P2 C21A C26A C25A -179.8(5) . .
