#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:13:50 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179682 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/04/7000476.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_7000476
loop_
_publ_author_name
'Hulvey, Zeric'
'Wragg, David S.'
'Lin, Zhuojia'
'Morris, Russell E.'
'Cheetham, Anthony K.'
_publ_section_title
;
 Ionothermal synthesis of inorganic--organic hybrid materials
 containing perfluorinated aliphatic dicarboxylate ligands
;
_journal_issue                   7
_journal_name_full               'Dalton Transactions'
_journal_page_first              1131
_journal_page_last               1135
_journal_paper_doi               10.1039/b817542j
_journal_year                    2009
_chemical_formula_sum            'C32 H30 Co3 F24 N4 O20'
_chemical_formula_weight         1423.39
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 103.821(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.841(10)
_cell_length_b                   12.328(7)
_cell_length_c                   22.472(12)
_cell_measurement_reflns_used    913
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.88
_cell_measurement_theta_min      2.56
_cell_volume                     4799(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0894
_diffrn_reflns_av_sigmaI/netI    0.0938
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            37427
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    1.199
_exptl_absorpt_correction_T_max  0.3351
_exptl_absorpt_correction_T_min  0.2559
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.970
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2828
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.3
_refine_diff_density_max         2.288
_refine_diff_density_min         -0.641
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.898
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         9565
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.912
_refine_ls_R_factor_all          0.1120
_refine_ls_R_factor_gt           0.0632
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0902P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1428
_refine_ls_wR_factor_ref         0.1599
_reflns_number_gt                5166
_reflns_number_total             9565
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b817542j.txt
_cod_data_source_block           co_gtam
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7000476
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Co1 Co 0.24690(4) 1.07606(5) 0.48959(3) 0.01614(18) Uani 1 1 d D . .
Co2 Co 0.24697(4) 0.78537(5) 0.49274(3) 0.01512(18) Uani 1 1 d D . .
Co3 Co 0.25128(4) 0.49383(5) 0.50950(3) 0.01581(18) Uani 1 1 d D . .
C1 C 0.3405(3) 0.9255(4) 0.4253(2) 0.0180(11) Uani 1 1 d . . .
C2 C 0.4061(3) 0.9202(4) 0.3912(2) 0.0203(12) Uani 1 1 d . . .
C3 C 0.4638(3) 0.8269(4) 0.4098(2) 0.0204(12) Uani 1 1 d . . .
C4 C 0.5356(3) 0.8252(4) 0.3825(2) 0.0195(12) Uani 1 1 d . . .
C5 C 0.6049(3) 0.8987(4) 0.4134(2) 0.0190(12) Uani 1 1 d . . .
C6 C 0.1144(3) 0.9284(4) 0.4271(2) 0.0173(11) Uani 1 1 d . . .
C7 C 0.0282(3) 0.9228(4) 0.3908(2) 0.0221(12) Uani 1 1 d . . .
C8 C -0.0185(3) 0.8293(4) 0.4095(2) 0.0186(12) Uani 1 1 d . . .
C9 C -0.1073(3) 0.8264(4) 0.3807(3) 0.0216(12) Uani 1 1 d . . .
C10 C -0.1583(3) 0.8988(4) 0.4115(2) 0.0183(11) Uani 1 1 d . . .
C11 C 0.1636(3) 0.6494(4) 0.5720(2) 0.0200(12) Uani 1 1 d . . .
C12 C 0.1068(3) 0.6587(4) 0.6132(2) 0.0189(12) Uani 1 1 d . . .
C13 C 0.0323(3) 0.5941(4) 0.5895(2) 0.0180(11) Uani 1 1 d . . .
C14 C -0.0364(3) 0.6186(4) 0.6172(2) 0.0213(12) Uani 1 1 d . . .
C15 C -0.1060(3) 0.5429(4) 0.5901(2) 0.0202(12) Uani 1 1 d . . .
C16 C 0.3778(3) 0.6513(4) 0.5705(2) 0.0187(12) Uani 1 1 d . . .
C17 C 0.4612(3) 0.6604(4) 0.6117(2) 0.0190(12) Uani 1 1 d . . .
C18 C 0.5201(3) 0.5937(4) 0.5867(2) 0.0190(12) Uani 1 1 d . . .
C19 C 0.6050(3) 0.6203(4) 0.6120(2) 0.0207(12) Uani 1 1 d . . .
C20 C 0.6594(3) 0.5435(4) 0.5870(2) 0.0193(12) Uani 1 1 d . . .
F1 F 0.44625(17) 1.0126(2) 0.39704(15) 0.0284(8) Uani 1 1 d . . .
F2 F 0.37101(17) 0.9074(3) 0.33040(13) 0.0286(8) Uani 1 1 d . . .
F3 F 0.42600(18) 0.7327(2) 0.39324(16) 0.0346(8) Uani 1 1 d . . .
F4 F 0.48891(17) 0.8290(3) 0.47134(14) 0.0341(8) Uani 1 1 d . . .
F5 F 0.51252(17) 0.8502(3) 0.32211(14) 0.0292(8) Uani 1 1 d . . .
F6 F 0.56113(16) 0.7213(2) 0.38500(15) 0.0300(8) Uani 1 1 d . . .
F7 F -0.00868(18) 1.0156(2) 0.39382(17) 0.0400(9) Uani 1 1 d . . .
F8 F 0.02868(18) 0.9088(3) 0.33034(14) 0.0378(9) Uani 1 1 d . . .
F9 F 0.01054(18) 0.7359(2) 0.39474(17) 0.0405(9) Uani 1 1 d . . .
F10 F -0.00838(18) 0.8335(3) 0.47059(15) 0.0392(9) Uani 1 1 d . . .
F11 F -0.12984(17) 0.7220(2) 0.38158(15) 0.0305(8) Uani 1 1 d . . .
F12 F -0.11838(17) 0.8551(3) 0.32082(14) 0.0299(8) Uani 1 1 d . . .
F13 F 0.08813(18) 0.7630(2) 0.62054(15) 0.0305(8) Uani 1 1 d . . .
F14 F 0.14126(17) 0.6220(3) 0.67056(13) 0.0304(8) Uani 1 1 d . . .
F15 F 0.00943(17) 0.6137(3) 0.52839(13) 0.0291(8) Uani 1 1 d . . .
F16 F 0.04818(18) 0.4882(2) 0.59741(15) 0.0322(8) Uani 1 1 d . . .
F17 F -0.05815(17) 0.7227(2) 0.60816(15) 0.0290(8) Uani 1 1 d . . .
F18 F -0.01328(17) 0.6028(3) 0.67873(13) 0.0281(7) Uani 1 1 d . . .
F19 F 0.48432(16) 0.7644(2) 0.61838(14) 0.0278(7) Uani 1 1 d . . .
F20 F 0.46135(17) 0.6237(3) 0.66910(13) 0.0268(7) Uani 1 1 d . . .
F21 F 0.50313(17) 0.6092(2) 0.52544(13) 0.0251(7) Uani 1 1 d . . .
F22 F 0.50907(17) 0.4887(2) 0.59736(14) 0.0277(7) Uani 1 1 d . . .
F23 F 0.61894(17) 0.7245(2) 0.59778(14) 0.0248(7) Uani 1 1 d . . .
F24 F 0.62067(17) 0.6137(3) 0.67398(13) 0.0283(7) Uani 1 1 d . . .
O1 O 0.2307(2) 1.2181(3) 0.43774(16) 0.0191(8) Uani 1 1 d D . .
H1A H 0.2663(16) 1.269(2) 0.436(2) 0.035(17) Uiso 1 1 d D . .
H1B H 0.1848(15) 1.254(4) 0.426(3) 0.12(4) Uiso 1 1 d D . .
O2 O 0.26346(19) 0.9323(3) 0.54377(15) 0.0169(8) Uani 1 1 d D . .
H2A H 0.3124(12) 0.9333(16) 0.5669(11) 0.031(17) Uiso 1 1 d D . .
H2B H 0.2318(17) 0.9353(16) 0.5689(11) 0.05(2) Uiso 1 1 d D . .
O3 O 0.2336(2) 0.6331(3) 0.44829(15) 0.0164(8) Uani 1 1 d D . .
H3A H 0.1860(12) 0.6238(16) 0.4244(11) 0.032(17) Uiso 1 1 d D . .
H3B H 0.2673(16) 0.6242(16) 0.4255(11) 0.028(16) Uiso 1 1 d D . .
O4 O 0.2665(2) 0.3492(3) 0.56127(17) 0.0210(8) Uani 1 1 d D . .
H4B H 0.2290(15) 0.303(2) 0.564(2) 0.028(16) Uiso 1 1 d D . .
H4A H 0.3094(16) 0.308(3) 0.568(2) 0.05(2) Uiso 1 1 d D . .
O5 O 0.3207(2) 1.0181(3) 0.43753(17) 0.0237(9) Uani 1 1 d . . .
O6 O 0.3128(2) 0.8366(3) 0.43410(17) 0.0246(9) Uani 1 1 d . . .
O7 O 0.6046(2) 0.9929(3) 0.39450(17) 0.0280(9) Uani 1 1 d . . .
O8 O 0.6546(2) 0.8522(3) 0.45450(16) 0.0209(8) Uani 1 1 d . . .
O9 O 0.1404(2) 1.0204(3) 0.44071(16) 0.0222(8) Uani 1 1 d . . .
O10 O 0.1466(2) 0.8394(3) 0.43538(17) 0.0244(9) Uani 1 1 d . . .
O11 O -0.1833(2) 0.8513(3) 0.45242(16) 0.0215(8) Uani 1 1 d . . .
O12 O -0.1692(2) 0.9926(3) 0.39272(17) 0.0256(9) Uani 1 1 d . . .
O13 O 0.1811(2) 0.7358(3) 0.55122(17) 0.0263(9) Uani 1 1 d . . .
O14 O 0.1855(2) 0.5553(3) 0.56528(16) 0.0235(9) Uani 1 1 d . . .
O15 O -0.1544(2) 0.5829(3) 0.54495(16) 0.0221(8) Uani 1 1 d . . .
O16 O -0.1068(2) 0.4536(3) 0.61443(17) 0.0290(9) Uani 1 1 d . . .
O17 O 0.3488(2) 0.7376(3) 0.54966(17) 0.0255(9) Uani 1 1 d . . .
O18 O 0.3515(2) 0.5577(3) 0.56486(16) 0.0222(8) Uani 1 1 d . . .
O19 O 0.6831(2) 0.5827(3) 0.54294(16) 0.0221(8) Uani 1 1 d . . .
O20 O 0.6723(2) 0.4551(3) 0.61156(17) 0.0278(9) Uani 1 1 d . . .
N2 N 0.2301(3) 0.6401(4) 0.2543(2) 0.0281(11) Uani 1 1 d . . .
N1 N 0.1132(3) 0.6605(3) 0.2611(2) 0.0255(11) Uani 1 1 d . . .
C21 C 0.1585(3) 0.6114(4) 0.2310(3) 0.0267(13) Uani 1 1 d . . .
H21 H 0.1422 0.5638 0.1984 0.032 Uiso 1 1 calc R . .
C22 C 0.2319(3) 0.7098(4) 0.3021(2) 0.0272(13) Uani 1 1 d . . .
H22 H 0.2754 0.7418 0.3270 0.033 Uiso 1 1 calc R . .
C23 C 0.1582(3) 0.7231(4) 0.3061(2) 0.0264(13) Uani 1 1 d . . .
H23 H 0.1412 0.7666 0.3340 0.032 Uiso 1 1 calc R . .
C24 C 0.0298(3) 0.6479(5) 0.2506(3) 0.0364(15) Uani 1 1 d . . .
H24A H 0.0092 0.6215 0.2098 0.055 Uiso 1 1 calc R . .
H24B H 0.0069 0.7168 0.2555 0.055 Uiso 1 1 calc R . .
H24C H 0.0184 0.5972 0.2796 0.055 Uiso 1 1 calc R . .
C25 C 0.2984(4) 0.6067(5) 0.2320(3) 0.0383(16) Uani 1 1 d . . .
H25A H 0.2862 0.5419 0.2070 0.046 Uiso 1 1 calc R . .
H25B H 0.3408 0.5897 0.2666 0.046 Uiso 1 1 calc R . .
C26 C 0.3221(4) 0.6962(5) 0.1947(3) 0.0428(17) Uani 1 1 d . . .
H26A H 0.2780 0.7197 0.1638 0.064 Uiso 1 1 calc R . .
H26B H 0.3611 0.6699 0.1754 0.064 Uiso 1 1 calc R . .
H26C H 0.3421 0.7561 0.2210 0.064 Uiso 1 1 calc R . .
N3 N 0.2831(3) 0.1225(4) 0.2579(2) 0.0307(12) Uani 1 1 d . . .
N4 N 0.3969(3) 0.0990(4) 0.2427(2) 0.0304(12) Uani 1 1 d . . .
C27 C 0.3583(4) 0.1316(4) 0.2820(3) 0.0311(14) Uani 1 1 d . . .
H27 H 0.3803 0.1573 0.3212 0.037 Uiso 1 1 calc R . .
C28 C 0.2742(3) 0.0803(4) 0.1999(3) 0.0291(14) Uani 1 1 d . . .
H28 H 0.2278 0.0645 0.1722 0.035 Uiso 1 1 calc R . .
C29 C 0.3453(3) 0.0665(4) 0.1906(3) 0.0294(13) Uani 1 1 d . . .
H29 H 0.3572 0.0397 0.1553 0.035 Uiso 1 1 calc R . .
C30 C 0.4811(4) 0.0977(5) 0.2526(3) 0.0398(16) Uani 1 1 d . . .
H30A H 0.4995 0.1704 0.2501 0.060 Uiso 1 1 calc R . .
H30B H 0.4953 0.0536 0.2218 0.060 Uiso 1 1 calc R . .
H30C H 0.5037 0.0684 0.2924 0.060 Uiso 1 1 calc R . .
C31 C 0.2230(4) 0.1510(5) 0.2890(3) 0.0414(17) Uani 1 1 d . . .
H31A H 0.1917 0.2089 0.2667 0.050 Uiso 1 1 calc R . .
H31B H 0.2468 0.1776 0.3298 0.050 Uiso 1 1 calc R . .
C32 C 0.1727(4) 0.0567(6) 0.2939(3) 0.056(2) Uani 1 1 d . . .
H32A H 0.1430 0.0373 0.2538 0.084 Uiso 1 1 calc R . .
H32B H 0.1385 0.0757 0.3194 0.084 Uiso 1 1 calc R . .
H32C H 0.2041 -0.0037 0.3116 0.084 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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'
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
O9 Co1 O1 89.68(14) . . ?
O9 Co1 O5 102.18(15) . . ?
O1 Co1 O5 89.79(14) . . ?
O9 Co1 O8 171.53(14) . 3_676 ?
O1 Co1 O8 88.01(14) . 3_676 ?
O5 Co1 O8 85.96(15) . 3_676 ?
O9 Co1 O11 84.73(14) . 3_576 ?
O1 Co1 O11 88.02(14) . 3_576 ?
O5 Co1 O11 172.74(14) . 3_576 ?
O8 Co1 O11 87.04(14) 3_676 3_576 ?
O9 Co1 O2 90.69(14) . . ?
O1 Co1 O2 179.14(13) . . ?
O5 Co1 O2 90.90(14) . . ?
O8 Co1 O2 91.52(13) 3_676 . ?
O11 Co1 O2 91.24(14) 3_576 . ?
O17 Co2 O10 177.67(14) . . ?
O17 Co2 O13 94.17(16) . . ?
O10 Co2 O13 87.25(15) . . ?
O17 Co2 O6 86.06(16) . . ?
O10 Co2 O6 92.51(15) . . ?
O13 Co2 O6 179.46(14) . . ?
O17 Co2 O3 91.31(14) . . ?
O10 Co2 O3 90.51(14) . . ?
O13 Co2 O3 91.21(14) . . ?
O6 Co2 O3 89.27(14) . . ?
O17 Co2 O2 85.41(14) . . ?
O10 Co2 O2 92.85(14) . . ?
O13 Co2 O2 86.27(14) . . ?
O6 Co2 O2 93.26(14) . . ?
O3 Co2 O2 175.70(13) . . ?
O14 Co3 O18 91.74(15) . . ?
O14 Co3 O19 174.45(14) . 3_666 ?
O18 Co3 O19 89.47(15) . 3_666 ?
O14 Co3 O15 90.62(15) . 3_566 ?
O18 Co3 O15 175.36(14) . 3_566 ?
O19 Co3 O15 87.80(14) 3_666 3_566 ?
O14 Co3 O4 89.56(14) . . ?
O18 Co3 O4 90.62(14) . . ?
O19 Co3 O4 85.01(14) 3_666 . ?
O15 Co3 O4 85.41(14) 3_566 . ?
O14 Co3 O3 94.44(14) . . ?
O18 Co3 O3 93.07(14) . . ?
O19 Co3 O3 90.90(14) 3_666 . ?
O15 Co3 O3 90.73(13) 3_566 . ?
O4 Co3 O3 174.47(13) . . ?
O6 C1 O5 129.2(5) . . ?
O6 C1 C2 114.8(4) . . ?
O5 C1 C2 115.9(4) . . ?
F1 C2 F2 107.7(4) . . ?
F1 C2 C3 107.7(4) . . ?
F2 C2 C3 107.7(4) . . ?
F1 C2 C1 111.5(4) . . ?
F2 C2 C1 106.2(4) . . ?
C3 C2 C1 115.7(4) . . ?
F4 C3 F3 108.7(4) . . ?
F4 C3 C2 107.6(4) . . ?
F3 C3 C2 108.2(4) . . ?
F4 C3 C4 107.6(4) . . ?
F3 C3 C4 106.5(4) . . ?
C2 C3 C4 117.9(4) . . ?
F6 C4 F5 106.0(4) . . ?
F6 C4 C3 107.4(4) . . ?
F5 C4 C3 108.1(4) . . ?
F6 C4 C5 108.0(4) . . ?
F5 C4 C5 109.4(4) . . ?
C3 C4 C5 117.4(4) . . ?
O7 C5 O8 128.7(5) . . ?
O7 C5 C4 117.2(5) . . ?
O8 C5 C4 114.1(4) . . ?
O10 C6 O9 130.2(5) . . ?
O10 C6 C7 113.9(4) . . ?
O9 C6 C7 115.8(4) . . ?
F7 C7 F8 106.3(4) . . ?
F7 C7 C8 108.9(4) . . ?
F8 C7 C8 108.0(4) . . ?
F7 C7 C6 111.9(4) . . ?
F8 C7 C6 106.5(4) . . ?
C8 C7 C6 114.8(4) . . ?
F9 C8 F10 108.8(4) . . ?
F9 C8 C7 108.1(4) . . ?
F10 C8 C7 107.6(4) . . ?
F9 C8 C9 107.0(4) . . ?
F10 C8 C9 107.4(4) . . ?
C7 C8 C9 117.7(4) . . ?
F11 C9 F12 106.8(4) . . ?
F11 C9 C10 109.5(4) . . ?
F12 C9 C10 109.2(4) . . ?
F11 C9 C8 107.0(4) . . ?
F12 C9 C8 107.3(4) . . ?
C10 C9 C8 116.5(4) . . ?
O12 C10 O11 129.3(5) . . ?
O12 C10 C9 116.7(4) . . ?
O11 C10 C9 114.0(4) . . ?
O13 C11 O14 130.0(5) . . ?
O13 C11 C12 115.4(5) . . ?
O14 C11 C12 114.6(4) . . ?
F13 C12 F14 105.6(4) . . ?
F13 C12 C11 111.4(4) . . ?
F14 C12 C11 109.4(4) . . ?
F13 C12 C13 108.6(4) . . ?
F14 C12 C13 108.2(4) . . ?
C11 C12 C13 113.3(4) . . ?
F16 C13 F15 108.0(4) . . ?
F16 C13 C14 107.6(4) . . ?
F15 C13 C14 107.5(4) . . ?
F16 C13 C12 108.8(4) . . ?
F15 C13 C12 106.6(4) . . ?
C14 C13 C12 118.0(4) . . ?
F17 C14 F18 107.4(4) . . ?
F17 C14 C13 110.9(4) . . ?
F18 C14 C13 107.9(4) . . ?
F17 C14 C15 109.8(4) . . ?
F18 C14 C15 109.4(4) . . ?
C13 C14 C15 111.4(4) . . ?
O16 C15 O15 128.9(5) . . ?
O16 C15 C14 117.1(5) . . ?
O15 C15 C14 114.1(5) . . ?
O17 C16 O18 130.8(5) . . ?
O17 C16 C17 114.9(4) . . ?
O18 C16 C17 114.3(4) . . ?
F19 C17 F20 106.2(4) . . ?
F19 C17 C18 109.4(4) . . ?
F20 C17 C18 108.6(4) . . ?
F19 C17 C16 111.0(4) . . ?
F20 C17 C16 108.8(4) . . ?
C18 C17 C16 112.6(4) . . ?
F22 C18 F21 108.2(4) . . ?
F22 C18 C19 108.5(4) . . ?
F21 C18 C19 108.2(4) . . ?
F22 C18 C17 107.9(4) . . ?
F21 C18 C17 106.8(4) . . ?
C19 C18 C17 117.0(4) . . ?
F24 C19 F23 107.1(4) . . ?
F24 C19 C18 108.3(4) . . ?
F23 C19 C18 109.7(4) . . ?
F24 C19 C20 110.0(4) . . ?
F23 C19 C20 108.9(4) . . ?
C18 C19 C20 112.7(4) . . ?
O20 C20 O19 129.5(5) . . ?
O20 C20 C19 116.5(5) . . ?
O19 C20 C19 114.0(5) . . ?
Co2 O2 Co1 114.71(16) . . ?
Co2 O3 Co3 114.79(16) . . ?
C1 O5 Co1 133.5(3) . . ?
C1 O6 Co2 133.1(3) . . ?
C5 O8 Co1 126.3(3) . 3_676 ?
C6 O9 Co1 132.7(3) . . ?
C6 O10 Co2 133.6(3) . . ?
C10 O11 Co1 126.0(3) . 3_576 ?
C11 O13 Co2 137.3(3) . . ?
C11 O14 Co3 131.2(3) . . ?
C15 O15 Co3 127.1(3) . 3_566 ?
C16 O17 Co2 136.0(3) . . ?
C16 O18 Co3 131.7(3) . . ?
C20 O19 Co3 127.7(3) . 3_666 ?
C21 N2 C22 108.7(5) . . ?
C21 N2 C25 126.4(5) . . ?
C22 N2 C25 125.0(5) . . ?
C21 N1 C23 108.2(5) . . ?
C21 N1 C24 126.6(5) . . ?
C23 N1 C24 125.2(5) . . ?
N2 C21 N1 109.4(5) . . ?
C23 C22 N2 106.7(5) . . ?
C22 C23 N1 107.0(5) . . ?
N2 C25 C26 110.3(5) . . ?
C27 N3 C28 107.2(5) . . ?
C27 N3 C31 124.9(5) . . ?
C28 N3 C31 127.9(5) . . ?
C27 N4 C29 108.3(5) . . ?
C27 N4 C30 125.9(5) . . ?
C29 N4 C30 125.8(5) . . ?
N4 C27 N3 110.0(5) . . ?
C29 C28 N3 107.1(5) . . ?
C28 C29 N4 107.4(5) . . ?
N3 C31 C32 111.9(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
Co1 O9 2.070(4) . ?
Co1 O1 2.085(3) . ?
Co1 O5 2.085(4) . ?
Co1 O8 2.096(4) 3_676 ?
Co1 O11 2.120(4) 3_576 ?
Co1 O2 2.131(3) . ?
Co2 O17 2.043(4) . ?
Co2 O10 2.052(4) . ?
Co2 O13 2.053(4) . ?
Co2 O6 2.063(4) . ?
Co2 O3 2.113(3) . ?
Co2 O2 2.126(3) . ?
Co3 O14 2.055(4) . ?
Co3 O18 2.074(3) . ?
Co3 O19 2.075(3) 3_666 ?
Co3 O15 2.091(4) 3_566 ?
Co3 O4 2.111(4) . ?
Co3 O3 2.175(3) . ?
C1 O6 1.237(6) . ?
C1 O5 1.244(6) . ?
C1 C2 1.548(7) . ?
C2 F1 1.335(6) . ?
C2 F2 1.369(6) . ?
C2 C3 1.533(7) . ?
C3 F4 1.348(6) . ?
C3 F3 1.350(6) . ?
C3 C4 1.548(7) . ?
C4 F6 1.355(6) . ?
C4 F5 1.356(6) . ?
C4 C5 1.556(7) . ?
C5 O7 1.236(6) . ?
C5 O8 1.256(6) . ?
C6 O10 1.231(6) . ?
C6 O9 1.236(6) . ?
C6 C7 1.562(7) . ?
C7 F7 1.328(6) . ?
C7 F8 1.371(6) . ?
C7 C8 1.539(7) . ?
C8 F9 1.336(6) . ?
C8 F10 1.341(6) . ?
C8 C9 1.562(7) . ?
C9 F11 1.349(6) . ?
C9 F12 1.360(6) . ?
C9 C10 1.551(7) . ?
C10 O12 1.230(6) . ?
C10 O11 1.258(6) . ?
C11 O13 1.234(6) . ?
C11 O14 1.245(6) . ?
C11 C12 1.530(7) . ?
C12 F13 1.347(6) . ?
C12 F14 1.366(6) . ?
C12 C13 1.532(7) . ?
C13 F16 1.339(5) . ?
C13 F15 1.358(6) . ?
C13 C14 1.531(7) . ?
C14 F17 1.342(6) . ?
C14 F18 1.358(6) . ?
C14 C15 1.556(7) . ?
C15 O16 1.230(6) . ?
C15 O15 1.265(6) . ?
C16 O17 1.226(6) . ?
C16 O18 1.241(6) . ?
C16 C17 1.558(7) . ?
C17 F19 1.344(6) . ?
C17 F20 1.367(6) . ?
C17 C18 1.542(7) . ?
C18 F22 1.339(5) . ?
C18 F21 1.351(6) . ?
C18 C19 1.520(7) . ?
C19 F24 1.355(6) . ?
C19 F23 1.361(6) . ?
C19 C20 1.555(7) . ?
C20 O20 1.219(6) . ?
C20 O19 1.261(6) . ?
O8 Co1 2.096(4) 3_676 ?
O11 Co1 2.120(4) 3_576 ?
O15 Co3 2.091(4) 3_566 ?
O19 Co3 2.075(3) 3_666 ?
N2 C21 1.308(7) . ?
N2 C22 1.371(7) . ?
N2 C25 1.482(7) . ?
N1 C21 1.319(7) . ?
N1 C23 1.369(7) . ?
N1 C24 1.457(7) . ?
C22 C23 1.348(8) . ?
C25 C26 1.507(8) . ?
N3 C27 1.326(7) . ?
N3 C28 1.378(7) . ?
N3 C31 1.456(7) . ?
N4 C27 1.308(7) . ?
N4 C29 1.363(7) . ?
N4 C30 1.466(7) . ?
C28 C29 1.345(8) . ?
C31 C32 1.489(9) . ?
