#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:57:10 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180457 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/26/7212671.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_7212671
loop_
_publ_author_name
'Liang, Li-Li'
'Ren, Shi-Bin'
'Wang, Jun'
'Zhang, Jun'
'Li, Yi-Zhi'
'Du, Hong-Bin'
'You, Xiao-Zeng'
_publ_section_title
;
 A 3-dimensional coordination polymer with a fluorite structure
 constructed from a semi-rigid tetrahedral ligand
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              2669
_journal_paper_doi               10.1039/c003203d
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C66 H50 Co3 O24'
_chemical_formula_sum            'C66 H50 Co3 O24'
_chemical_formula_weight         1403.85
_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                108.300(5)
_cell_angle_beta                 101.394(4)
_cell_angle_gamma                102.280(5)
_cell_formula_units_Z            1
_cell_length_a                   12.036(3)
_cell_length_b                   15.301(4)
_cell_length_c                   16.906(5)
_cell_measurement_reflns_used    1172
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      18.302
_cell_measurement_theta_min      2.35
_cell_volume                     2768.6(13)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0551
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15137
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.491
_exptl_absorpt_correction_T_max  0.9168
_exptl_absorpt_correction_T_min  0.9081
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    0.842
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             719
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.232
_refine_diff_density_min         -0.693
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         10665
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+1.2200P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1236
_reflns_number_gt                7878
_reflns_number_total             10665
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c003203d.txt
_cod_data_source_block           1
_cod_database_code               7212671
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
C1 C 1.0175(2) 0.9078(2) 0.62814(18) 0.0449(6) Uani 1 1 d .
C2 C 0.9994(2) 0.8523(2) 0.68737(18) 0.0448(6) Uani 1 1 d .
H2A H 0.9601 0.8823 0.7286 0.054 Uiso 1 1 calc R
H2B H 0.9507 0.7864 0.6535 0.054 Uiso 1 1 calc R
C3 C 1.1213(2) 0.8075(2) 0.78825(18) 0.0425(6) Uani 1 1 d .
C4 C 1.2327(3) 0.8112(2) 0.8305(2) 0.0548(8) Uani 1 1 d .
H4 H 1.2980 0.8462 0.8204 0.066 Uiso 1 1 calc R
C5 C 1.2511(3) 0.7639(2) 0.88842(18) 0.0469(7) Uani 1 1 d .
H5 H 1.3273 0.7665 0.9160 0.056 Uiso 1 1 calc R
C6 C 1.1539(3) 0.7136(2) 0.90354(19) 0.0493(7) Uani 1 1 d .
C7 C 1.0462(3) 0.7062(2) 0.86088(18) 0.0473(7) Uani 1 1 d .
H7 H 0.9825 0.6669 0.8689 0.057 Uiso 1 1 calc R
C8 C 1.0206(2) 0.7555(2) 0.80226(18) 0.0446(6) Uani 1 1 d .
H8 H 0.9439 0.7529 0.7759 0.054 Uiso 1 1 calc R
C9 C 1.1691(2) 0.6603(2) 0.96308(18) 0.0422(6) Uani 1 1 d .
C10 C 0.8956(3) 0.9092(2) 0.58159(19) 0.0503(7) Uani 1 1 d .
H10A H 0.8626 0.9471 0.6232 0.060 Uiso 1 1 calc R
H10B H 0.9030 0.9382 0.5388 0.060 Uiso 1 1 calc R
C11 C 0.7366(2) 0.7856(2) 0.46392(19) 0.0514(7) Uani 1 1 d .
C12 C 0.6813(3) 0.6873(2) 0.4199(2) 0.0569(8) Uani 1 1 d .
H12 H 0.7041 0.6455 0.4450 0.068 Uiso 1 1 calc R
C13 C 0.5958(3) 0.6486(2) 0.3420(2) 0.0551(8) Uani 1 1 d .
H13 H 0.5578 0.5827 0.3156 0.066 Uiso 1 1 calc R
C14 C 0.5681(2) 0.7126(2) 0.30402(18) 0.0461(6) Uani 1 1 d .
C15 C 0.6174(2) 0.8100(2) 0.34556(19) 0.0469(7) Uani 1 1 d .
H15 H 0.5943 0.8513 0.3199 0.056 Uiso 1 1 calc R
C16 C 0.7001(2) 0.8466(2) 0.42423(18) 0.0472(7) Uani 1 1 d .
H16 H 0.7330 0.9129 0.4521 0.057 Uiso 1 1 calc R
C17 C 0.4795(3) 0.6712(2) 0.21407(18) 0.0454(7) Uani 1 1 d .
C18 C 1.0729(3) 0.8553(2) 0.56200(18) 0.0427(6) Uani 1 1 d .
H18A H 1.1511 0.8569 0.5922 0.051 Uiso 1 1 calc R
H18B H 1.0252 0.7884 0.5340 0.051 Uiso 1 1 calc R
C19 C 1.0838(3) 0.8269(2) 0.42290(19) 0.0485(7) Uani 1 1 d .
C20 C 0.9878(3) 0.7490(2) 0.3665(2) 0.0522(7) Uani 1 1 d .
H20 H 0.9169 0.7367 0.3809 0.063 Uiso 1 1 calc R
C21 C 0.9977(3) 0.6894(2) 0.2887(2) 0.0604(9) Uani 1 1 d .
H21 H 0.9335 0.6372 0.2510 0.073 Uiso 1 1 calc R
C22 C 1.1037(2) 0.70772(19) 0.26727(16) 0.0401(6) Uani 1 1 d .
C23 C 1.1998(3) 0.7857(2) 0.3236(2) 0.0581(9) Uani 1 1 d .
H23 H 1.2707 0.7980 0.3093 0.070 Uiso 1 1 calc R
C24 C 1.1898(3) 0.8453(2) 0.4015(2) 0.0576(8) Uani 1 1 d .
H24 H 1.2541 0.8975 0.4392 0.069 Uiso 1 1 calc R
C25 C 1.1270(2) 0.64719(19) 0.18649(17) 0.0405(6) Uani 1 1 d .
C26 C 1.0938(2) 1.00779(18) 0.68036(16) 0.0399(6) Uani 1 1 d .
H26A H 1.1728 1.0075 0.7070 0.048 Uiso 1 1 calc R
H26B H 1.1000 1.0448 0.6434 0.048 Uiso 1 1 calc R
C27 C 1.0943(2) 1.1416(2) 0.80131(18) 0.0462(6) Uani 1 1 d .
C28 C 1.0357(2) 1.1784(2) 0.86148(18) 0.0439(6) Uani 1 1 d .
H28 H 0.9645 1.1397 0.8612 0.053 Uiso 1 1 calc R
C29 C 1.0818(2) 1.27137(19) 0.92128(17) 0.0412(6) Uani 1 1 d .
H29 H 1.0421 1.2948 0.9614 0.049 Uiso 1 1 calc R
C30 C 1.1885(2) 1.3309(2) 0.92198(18) 0.0450(6) Uani 1 1 d .
C31 C 1.2485(2) 1.2920(2) 0.86337(18) 0.0435(6) Uani 1 1 d .
H31 H 1.3220 1.3291 0.8656 0.052 Uiso 1 1 calc R
C32 C 1.1994(2) 1.1974(2) 0.80087(18) 0.0513(8) Uani 1 1 d .
H32 H 1.2378 1.1733 0.7600 0.062 Uiso 1 1 calc R
C33 C 1.2354(2) 1.43197(19) 0.98231(16) 0.0385(6) Uani 1 1 d .
Co1 Co 1.0000 0.5000 1.0000 0.03580(13) Uani 1 2 d S
Co2 Co 0.29708(3) 0.60374(3) 0.08920(2) 0.04034(11) Uani 1 1 d .
O1 O 1.11353(17) 0.85407(14) 0.73171(12) 0.0472(5) Uani 1 1 d .
O2 O 1.07729(15) 0.61891(12) 0.97565(11) 0.0380(4) Uani 1 1 d .
O3 O 1.27418(16) 0.66131(14) 0.99725(13) 0.0464(4) Uani 1 1 d .
O4 O 0.81976(18) 0.81335(14) 0.54031(13) 0.0557(6) Uani 1 1 d .
O5 O 0.42236(17) 0.58659(14) 0.18511(13) 0.0567(6) Uani 1 1 d .
O6 O 0.46043(17) 0.72713(15) 0.17453(13) 0.0531(5) Uani 1 1 d .
O7 O 1.08313(18) 0.89274(13) 0.49955(12) 0.0484(5) Uani 1 1 d .
O8 O 1.22477(16) 0.66933(13) 0.17530(12) 0.0429(4) Uani 1 1 d .
O9 O 1.03197(16) 0.57788(13) 0.12968(12) 0.0432(4) Uani 1 1 d .
H9C H 0.9792 0.6027 0.1134 0.052 Uiso 1 1 d R
O10 O 1.04186(17) 1.04955(14) 0.74549(13) 0.0514(5) Uani 1 1 d .
O11 O 1.17123(15) 1.47088(12) 1.02658(12) 0.0403(4) Uani 1 1 d .
O12 O 1.33779(16) 1.48089(13) 0.98965(12) 0.0445(4) 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'
Co Co 0.3494 0.9721 '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'
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
C26 C1 C18 111.3(2) . .
C26 C1 C2 109.9(2) . .
C18 C1 C2 108.4(2) . .
C26 C1 C10 109.7(2) . .
C18 C1 C10 109.7(2) . .
C2 C1 C10 107.8(2) . .
O1 C2 C1 106.9(2) . .
O1 C2 H2A 110.3 . .
C1 C2 H2A 110.3 . .
O1 C2 H2B 110.3 . .
C1 C2 H2B 110.3 . .
H2A C2 H2B 108.6 . .
O1 C3 C4 117.0(3) . .
O1 C3 C8 122.6(3) . .
C4 C3 C8 120.4(3) . .
C3 C4 C5 121.9(3) . .
C3 C4 H4 119.0 . .
C5 C4 H4 119.0 . .
C6 C5 C4 118.4(3) . .
C6 C5 H5 120.8 . .
C4 C5 H5 120.8 . .
C7 C6 C5 120.3(3) . .
C7 C6 C9 119.2(3) . .
C5 C6 C9 120.3(3) . .
C6 C7 C8 124.1(3) . .
C6 C7 H7 118.0 . .
C8 C7 H7 118.0 . .
C3 C8 C7 114.6(3) . .
C3 C8 H8 122.7 . .
C7 C8 H8 122.7 . .
O2 C9 O3 125.6(3) . .
O2 C9 C6 116.6(3) . .
O3 C9 C6 117.8(2) . .
O4 C10 C1 108.9(2) . .
O4 C10 H10A 109.9 . .
C1 C10 H10A 109.9 . .
O4 C10 H10B 109.9 . .
C1 C10 H10B 109.9 . .
H10A C10 H10B 108.3 . .
O4 C11 C12 117.3(3) . .
O4 C11 C16 126.1(3) . .
C12 C11 C16 116.5(3) . .
C13 C12 C11 123.9(3) . .
C13 C12 H12 118.0 . .
C11 C12 H12 118.0 . .
C12 C13 C14 116.6(3) . .
C12 C13 H13 121.7 . .
C14 C13 H13 121.7 . .
C15 C14 C13 121.7(3) . .
C15 C14 C17 120.3(3) . .
C13 C14 C17 118.0(3) . .
C16 C15 C14 120.1(3) . .
C16 C15 H15 119.9 . .
C14 C15 H15 119.9 . .
C15 C16 C11 120.9(3) . .
C15 C16 H16 119.6 . .
C11 C16 H16 119.6 . .
O5 C17 O6 121.8(3) . .
O5 C17 C14 118.6(3) . .
O6 C17 C14 119.4(2) . .
O5 C17 Co2 57.86(15) . .
O6 C17 Co2 64.77(15) . .
C14 C17 Co2 165.2(2) . .
O7 C18 C1 114.1(2) . .
O7 C18 H18A 108.7 . .
C1 C18 H18A 108.7 . .
O7 C18 H18B 108.7 . .
C1 C18 H18B 108.7 . .
H18A C18 H18B 107.6 . .
O7 C19 C20 125.2(3) . .
O7 C19 C24 114.7(3) . .
C20 C19 C24 120.0(3) . .
C19 C20 C21 120.0(3) . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C22 C21 C20 120.0(3) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C23 C22 C21 120.0(3) . .
C23 C22 C25 114.8(2) . .
C21 C22 C25 125.2(3) . .
C22 C23 C24 120.0(3) . .
C22 C23 H23 120.0 . .
C24 C23 H23 120.0 . .
C23 C24 C19 120.0(3) . .
C23 C24 H24 120.0 . .
C19 C24 H24 120.0 . .
O8 C25 O9 126.0(2) . .
O8 C25 C22 119.4(2) . .
O9 C25 C22 114.3(2) . .
O10 C26 C1 108.2(2) . .
O10 C26 H26A 110.1 . .
C1 C26 H26A 110.1 . .
O10 C26 H26B 110.1 . .
C1 C26 H26B 110.1 . .
H26A C26 H26B 108.4 . .
O10 C27 C32 123.3(2) . .
O10 C27 C28 116.2(2) . .
C32 C27 C28 120.5(3) . .
C29 C28 C27 120.8(3) . .
C29 C28 H28 119.6 . .
C27 C28 H28 119.6 . .
C28 C29 C30 120.2(3) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C31 C30 C29 118.4(3) . .
C31 C30 C33 120.8(3) . .
C29 C30 C33 120.8(2) . .
C30 C31 C32 121.0(3) . .
C30 C31 H31 119.5 . .
C32 C31 H31 119.5 . .
C27 C32 C31 119.0(2) . .
C27 C32 H32 120.5 . .
C31 C32 H32 120.5 . .
O12 C33 O11 120.0(2) . .
O12 C33 C30 119.9(2) . .
O11 C33 C30 120.1(2) . .
O9 Co1 O9 180.000(1) 2_766 1_556
O9 Co1 O2 86.87(7) 2_766 .
O9 Co1 O2 93.13(7) 1_556 .
O9 Co1 O2 93.13(7) 2_766 2_767
O9 Co1 O2 86.87(7) 1_556 2_767
O2 Co1 O2 180.000(1) . 2_767
O9 Co1 O11 90.34(7) 2_766 2_777
O9 Co1 O11 89.66(7) 1_556 2_777
O2 Co1 O11 89.78(7) . 2_777
O2 Co1 O11 90.22(7) 2_767 2_777
O9 Co1 O11 89.66(7) 2_766 1_545
O9 Co1 O11 90.34(7) 1_556 1_545
O2 Co1 O11 90.22(7) . 1_545
O2 Co1 O11 89.78(7) 2_767 1_545
O11 Co1 O11 180.000(1) 2_777 1_545
O8 Co2 O3 104.93(8) 1_455 1_454
O8 Co2 O11 101.42(8) 1_455 1_444
O3 Co2 O11 100.89(8) 1_454 1_444
O8 Co2 O5 91.83(8) 1_455 .
O3 Co2 O5 145.26(9) 1_454 .
O11 Co2 O5 105.36(8) 1_444 .
O8 Co2 O6 82.49(8) 1_455 .
O3 Co2 O6 92.19(8) 1_454 .
O11 Co2 O6 164.75(8) 1_444 .
O5 Co2 O6 59.57(8) . .
O8 Co2 O12 160.12(7) 1_455 1_444
O3 Co2 O12 87.17(8) 1_454 1_444
O11 Co2 O12 60.21(7) 1_444 1_444
O5 Co2 O12 86.51(7) . 1_444
O6 Co2 O12 113.27(7) . 1_444
O8 Co2 C17 83.93(8) 1_455 .
O3 Co2 C17 121.52(9) 1_454 .
O11 Co2 C17 134.54(9) 1_444 .
O5 Co2 C17 29.25(9) . .
O6 Co2 C17 30.59(8) . .
O12 Co2 C17 103.39(8) 1_444 .
C3 O1 C2 118.4(2) . .
C9 O2 Co1 143.00(18) . .
C9 O3 Co2 117.81(17) . 1_656
C11 O4 C10 121.1(2) . .
C17 O5 Co2 92.89(19) . .
C17 O6 Co2 84.64(16) . .
C18 O7 C19 113.7(2) . .
C25 O8 Co2 132.38(18) . 1_655
C25 O9 Co1 130.66(16) . 1_554
C25 O9 H9C 109.5 . .
Co1 O9 H9C 85.8 1_554 .
C27 O10 C26 119.7(2) . .
C33 O11 Co2 95.12(15) . 1_666
C33 O11 Co1 137.27(16) . 1_565
Co2 O11 Co1 105.93(8) 1_666 1_565
C33 O12 Co2 84.69(15) . 1_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C26 1.483(4) .
C1 C18 1.516(4) .
C1 C2 1.520(4) .
C1 C10 1.530(4) .
C2 O1 1.420(3) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 O1 1.360(3) .
C3 C4 1.369(4) .
C3 C8 1.407(4) .
C4 C5 1.400(4) .
C4 H4 0.9300 .
C5 C6 1.373(4) .
C5 H5 0.9300 .
C6 C7 1.316(4) .
C6 C9 1.489(4) .
C7 C8 1.446(4) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 O2 1.243(3) .
C9 O3 1.277(3) .
C10 O4 1.416(3) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 O4 1.347(3) .
C11 C12 1.391(4) .
C11 C16 1.402(4) .
C12 C13 1.364(4) .
C12 H12 0.9300 .
C13 C14 1.389(4) .
C13 H13 0.9300 .
C14 C15 1.367(4) .
C14 C17 1.522(4) .
C15 C16 1.359(4) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 O5 1.216(3) .
C17 O6 1.271(4) .
C17 Co2 2.486(3) .
C18 O7 1.364(3) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 O7 1.372(3) .
C19 C20 1.390(4) .
C19 C24 1.390(4) .
C20 C21 1.390(4) .
C20 H20 0.9300 .
C21 C22 1.390(4) .
C21 H21 0.9300 .
C22 C23 1.390(4) .
C22 C25 1.506(4) .
C23 C24 1.390(4) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 O8 1.223(3) .
C25 O9 1.329(3) .
C26 O10 1.418(3) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 O10 1.350(3) .
C27 C32 1.371(4) .
C27 C28 1.394(4) .
C28 C29 1.376(4) .
C28 H28 0.9300 .
C29 C30 1.404(4) .
C29 H29 0.9300 .
C30 C31 1.398(4) .
C30 C33 1.470(4) .
C31 C32 1.411(4) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 O12 1.258(3) .
C33 O11 1.286(3) .
Co1 O9 2.0507(19) 2_766
Co1 O9 2.0507(19) 1_556
Co1 O2 2.0608(18) .
Co1 O2 2.0608(18) 2_767
Co1 O11 2.1906(18) 2_777
Co1 O11 2.1906(18) 1_545
Co2 O8 1.9591(19) 1_455
Co2 O3 2.016(2) 1_454
Co2 O11 2.0623(18) 1_444
Co2 O5 2.107(2) .
Co2 O6 2.259(2) .
Co2 O12 2.3101(19) 1_444
O3 Co2 2.016(2) 1_656
O8 Co2 1.9591(19) 1_655
O9 Co1 2.0507(19) 1_554
O9 H9C 0.8500 .
O11 Co2 2.0623(18) 1_666
O11 Co1 2.1906(18) 1_565
O12 Co2 2.3101(19) 1_666
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
C26 C1 C2 O1 -58.9(3) . .
C18 C1 C2 O1 63.0(3) . .
C10 C1 C2 O1 -178.4(2) . .
O1 C3 C4 C5 -178.3(3) . .
C8 C3 C4 C5 0.2(5) . .
C3 C4 C5 C6 -0.8(5) . .
C4 C5 C6 C7 3.5(5) . .
C4 C5 C6 C9 178.6(3) . .
C5 C6 C7 C8 -5.6(5) . .
C9 C6 C7 C8 179.2(3) . .
O1 C3 C8 C7 176.6(2) . .
C4 C3 C8 C7 -1.9(4) . .
C6 C7 C8 C3 4.7(4) . .
C7 C6 C9 O2 -7.0(4) . .
C5 C6 C9 O2 177.8(3) . .
C7 C6 C9 O3 173.5(3) . .
C5 C6 C9 O3 -1.7(4) . .
C26 C1 C10 O4 -173.3(2) . .
C18 C1 C10 O4 64.1(3) . .
C2 C1 C10 O4 -53.7(3) . .
O4 C11 C12 C13 -179.9(3) . .
C16 C11 C12 C13 0.0(5) . .
C11 C12 C13 C14 3.2(5) . .
C12 C13 C14 C15 -4.9(5) . .
C12 C13 C14 C17 175.6(3) . .
C13 C14 C15 C16 3.3(5) . .
C17 C14 C15 C16 -177.3(3) . .
C14 C15 C16 C11 0.2(5) . .
O4 C11 C16 C15 178.1(3) . .
C12 C11 C16 C15 -1.9(5) . .
C15 C14 C17 O5 -167.7(3) . .
C13 C14 C17 O5 11.8(4) . .
C15 C14 C17 O6 6.7(4) . .
C13 C14 C17 O6 -173.8(3) . .
C15 C14 C17 Co2 -95.7(8) . .
C13 C14 C17 Co2 83.8(8) . .
C26 C1 C18 O7 -65.0(3) . .
C2 C1 C18 O7 174.0(2) . .
C10 C1 C18 O7 56.5(3) . .
O7 C19 C20 C21 177.3(3) . .
C24 C19 C20 C21 0.0(5) . .
C19 C20 C21 C22 0.0(5) . .
C20 C21 C22 C23 0.0(5) . .
C20 C21 C22 C25 178.2(3) . .
C21 C22 C23 C24 0.0(5) . .
C25 C22 C23 C24 -178.3(3) . .
C22 C23 C24 C19 0.0(5) . .
O7 C19 C24 C23 -177.5(3) . .
C20 C19 C24 C23 0.0(5) . .
C23 C22 C25 O8 -0.3(4) . .
C21 C22 C25 O8 -178.5(3) . .
C23 C22 C25 O9 -174.6(3) . .
C21 C22 C25 O9 7.2(4) . .
C18 C1 C26 O10 -175.0(2) . .
C2 C1 C26 O10 -54.9(3) . .
C10 C1 C26 O10 63.4(3) . .
O10 C27 C28 C29 179.9(3) . .
C32 C27 C28 C29 0.2(5) . .
C27 C28 C29 C30 0.6(4) . .
C28 C29 C30 C31 -2.8(4) . .
C28 C29 C30 C33 176.6(3) . .
C29 C30 C31 C32 4.4(4) . .
C33 C30 C31 C32 -175.1(3) . .
O10 C27 C32 C31 -178.4(3) . .
C28 C27 C32 C31 1.3(5) . .
C30 C31 C32 C27 -3.6(5) . .
C31 C30 C33 O12 -9.3(4) . .
C29 C30 C33 O12 171.3(3) . .
C31 C30 C33 O11 169.6(2) . .
C29 C30 C33 O11 -9.8(4) . .
O5 C17 Co2 O8 104.81(18) . 1_455
O6 C17 Co2 O8 -85.49(16) . 1_455
C14 C17 Co2 O8 24.3(8) . 1_455
O5 C17 Co2 O3 -151.38(16) . 1_454
O6 C17 Co2 O3 18.32(18) . 1_454
C14 C17 Co2 O3 128.1(8) . 1_454
O5 C17 Co2 O11 4.7(2) . 1_444
O6 C17 Co2 O11 174.45(13) . 1_444
C14 C17 Co2 O11 -75.7(8) . 1_444
O6 C17 Co2 O5 169.7(3) . .
C14 C17 Co2 O5 -80.5(8) . .
O5 C17 Co2 O6 -169.7(3) . .
C14 C17 Co2 O6 109.8(8) . .
O5 C17 Co2 O12 -56.42(18) . 1_444
O6 C17 Co2 O12 113.28(15) . 1_444
C14 C17 Co2 O12 -136.9(8) . 1_444
C4 C3 O1 C2 -179.5(3) . .
C8 C3 O1 C2 2.0(4) . .
C1 C2 O1 C3 -179.0(2) . .
O3 C9 O2 Co1 -33.1(5) . .
C6 C9 O2 Co1 147.4(2) . .
O9 Co1 O2 C9 -77.7(3) 2_766 .
O9 Co1 O2 C9 102.3(3) 1_556 .
O11 Co1 O2 C9 -168.1(3) 2_777 .
O11 Co1 O2 C9 11.9(3) 1_545 .
O2 C9 O3 Co2 -7.0(4) . 1_656
C6 C9 O3 Co2 172.42(18) . 1_656
C12 C11 O4 C10 168.2(3) . .
C16 C11 O4 C10 -11.8(5) . .
C1 C10 O4 C11 -145.6(3) . .
O6 C17 O5 Co2 -11.0(3) . .
C14 C17 O5 Co2 163.3(2) . .
O8 Co2 O5 C17 -74.13(18) 1_455 .
O3 Co2 O5 C17 45.8(2) 1_454 .
O11 Co2 O5 C17 -176.49(17) 1_444 .
O6 Co2 O5 C17 6.06(16) . .
O12 Co2 O5 C17 125.71(18) 1_444 .
O5 C17 O6 Co2 10.3(3) . .
C14 C17 O6 Co2 -164.0(2) . .
O8 Co2 O6 C17 90.78(16) 1_455 .
O3 Co2 O6 C17 -164.45(16) 1_454 .
O11 Co2 O6 C17 -15.2(4) 1_444 .
O5 Co2 O6 C17 -5.82(15) . .
O12 Co2 O6 C17 -76.59(17) 1_444 .
C1 C18 O7 C19 -153.7(2) . .
C20 C19 O7 C18 68.1(4) . .
C24 C19 O7 C18 -114.5(3) . .
O9 C25 O8 Co2 -15.1(4) . 1_655
C22 C25 O8 Co2 171.39(17) . 1_655
O8 C25 O9 Co1 -12.2(4) . 1_554
C22 C25 O9 Co1 161.63(17) . 1_554
C32 C27 O10 C26 -2.4(4) . .
C28 C27 O10 C26 177.9(2) . .
C1 C26 O10 C27 -179.2(2) . .
O12 C33 O11 Co2 -1.0(3) . 1_666
C30 C33 O11 Co2 -179.9(2) . 1_666
O12 C33 O11 Co1 119.2(2) . 1_565
C30 C33 O11 Co1 -59.7(3) . 1_565
O11 C33 O12 Co2 0.9(2) . 1_666
C30 C33 O12 Co2 179.8(2) . 1_666
