#------------------------------------------------------------------------------
#$Date: 2019-11-23 14:57:46 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/58/7235889.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_7235889
loop_
_publ_author_name
'Yang, Gaoshan'
'Wen, Huiliang'
'Liu, Chongbo'
'Robbins, Julianne'
'Wen, Yunhan'
'Zhang, Z. John'
_publ_section_title
;
 Self-assembly, crystal structures and properties of
 metal--3,4,5-tris(carboxymethoxy)benzoic acid frameworks based on
 polynuclear metal-hydroxyl clusters (M = Zn, Co)
;
_journal_issue                   37
_journal_name_full               'RSC Advances'
_journal_page_first              29362
_journal_paper_doi               10.1039/C5RA02700D
_journal_volume                  5
_journal_year                    2015
_chemical_formula_sum            'C13 H22 Co3 O19'
_chemical_formula_weight         659.10
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2014-04-24 deposited with the CCDC.
2015-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                111.67
_cell_angle_beta                 106.20
_cell_angle_gamma                94.38
_cell_formula_units_Z            2
_cell_length_a                   7.9468(3)
_cell_length_b                   12.5413(5)
_cell_length_c                   12.5620(5)
_cell_measurement_reflns_used    6966
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      2.72
_cell_volume                     1094.48(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0107
_diffrn_reflns_av_sigmaI/netI    0.0148
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8426
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    2.341
_exptl_absorpt_correction_T_max  0.6780
_exptl_absorpt_correction_T_min  0.5706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.000
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             666
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.447
_refine_diff_density_min         -1.045
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         4045
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0277
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0379P)²+1.6898P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0755
_reflns_number_gt                3749
_reflns_number_total             4045
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra02700d2.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        1094.51(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7235889
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 0.7283(3) 0.5821(2) 0.8407(2) 0.0176(5) Uani 1 1 d .
C2 C 0.7489(3) 0.5129(2) 0.9179(2) 0.0170(5) Uani 1 1 d .
C3 C 0.7563(4) 0.3952(2) 0.8664(2) 0.0203(5) Uani 1 1 d .
H3 H 0.7492 0.3599 0.7854 0.024 Uiso 1 1 calc R
C4 C 0.7744(4) 0.3310(2) 0.9365(2) 0.0195(5) Uani 1 1 d .
C5 C 0.7861(3) 0.3848(2) 1.0581(2) 0.0174(5) Uani 1 1 d .
C6 C 0.7760(4) 0.5024(2) 1.1080(2) 0.0198(5) Uani 1 1 d .
C7 C 0.7592(4) 0.5675(2) 1.0386(2) 0.0205(5) Uani 1 1 d .
H7 H 0.7548 0.6465 1.0722 0.025 Uiso 1 1 calc R
C8 C 0.7305(5) 0.1485(2) 0.7683(2) 0.0344(7) Uani 1 1 d .
H8A H 0.8212 0.1693 0.7374 0.041 Uiso 1 1 calc R
H8B H 0.6186 0.1644 0.7275 0.041 Uiso 1 1 calc R
C9 C 0.7085(4) 0.0192(2) 0.7453(2) 0.0243(6) Uani 1 1 d .
C10 C 0.6428(4) 0.2685(3) 1.1287(3) 0.0392(8) Uani 1 1 d .
H10A H 0.5864 0.2019 1.0515 0.047 Uiso 1 1 calc R
H10B H 0.5638 0.3241 1.1366 0.047 Uiso 1 1 calc R
C11 C 0.6687(4) 0.2279(2) 1.2305(2) 0.0228(6) Uani 1 1 d .
C12 C 0.7230(4) 0.6506(2) 1.2741(2) 0.0252(6) Uani 1 1 d .
H12A H 0.6148 0.6501 1.2142 0.030 Uiso 1 1 calc R
H12B H 0.8127 0.7173 1.2919 0.030 Uiso 1 1 calc R
C13 C 0.6852(4) 0.6603(2) 1.3894(2) 0.0205(5) Uani 1 1 d .
Co1 Co 0.52977(5) 0.77129(3) 0.58161(3) 0.01968(10) Uani 1 1 d .
Co2 Co 0.75262(5) 0.83135(3) 0.84987(3) 0.01827(10) Uani 1 1 d .
Co3 Co 0.69604(4) 0.56406(3) 0.58493(3) 0.01653(10) Uani 1 1 d .
O1 O 0.7459(3) 0.69086(16) 0.89503(17) 0.0259(4) Uani 1 1 d .
O2 O 0.6924(3) 0.52526(16) 0.72917(16) 0.0296(5) Uani 1 1 d .
O3 O 0.7822(3) 0.21481(16) 0.89583(17) 0.0323(5) Uani 1 1 d .
O4 O 0.6183(3) -0.05086(16) 0.63878(17) 0.0324(5) Uani 1 1 d .
O5 O 0.7818(3) -0.00692(16) 0.83156(17) 0.0272(4) Uani 1 1 d .
O6 O 0.8092(2) 0.32221(15) 1.13026(16) 0.0199(4) Uani 1 1 d .
O7 O 0.8198(3) 0.2341(2) 1.2961(2) 0.0434(6) Uani 1 1 d .
O8 O 0.5250(2) 0.19084(16) 1.24290(16) 0.0228(4) Uani 1 1 d .
O9 O 0.7853(3) 0.54505(17) 1.22733(17) 0.0334(5) Uani 1 1 d .
O10 O 0.7324(3) 0.58898(16) 1.43295(16) 0.0246(4) Uani 1 1 d .
O11 O 0.6087(3) 0.74335(17) 1.43020(17) 0.0287(4) Uani 1 1 d .
O12 O 0.7689(2) 0.74420(14) 0.68214(15) 0.0190(4) Uani 1 1 d .
H12 H 0.8656 0.7694 0.6799 0.028 Uiso 1 1 d R
O13 O 0.5651(2) 0.39901(15) 0.45512(15) 0.0199(4) Uani 1 1 d .
H13 H 0.5962 0.3998 0.3988 0.030 Uiso 1 1 d R
O14 O 0.7343(3) 0.93174(19) 1.02064(19) 0.0415(6) Uani 1 1 d .
H1W H 0.7857 0.9996 1.0443 0.062 Uiso 1 1 d R
H2W H 0.7448 0.9117 1.0779 0.062 Uiso 1 1 d R
O15 O 1.0350(3) 0.86989(16) 0.92916(17) 0.0257(4) Uani 1 1 d .
H3W H 1.0630 0.8947 1.0046 0.039 Uiso 1 1 d R
H4W H 1.0743 0.8106 0.9027 0.039 Uiso 1 1 d R
O16 O 0.9536(3) 0.5256(3) 0.6056(2) 0.0542(7) Uani 1 1 d D
H5W H 0.9408 0.4626 0.5957 0.081 Uiso 1 1 d R
H6W H 1.0232 0.5512 0.6762 0.081 Uiso 1 1 d RD
O17 O 0.2580(3) 0.7835(3) 0.5011(2) 0.0529(7) Uani 1 1 d .
H7W H 0.1982 0.7763 0.5426 0.079 Uiso 1 1 d R
H8W H 0.2441 0.8407 0.4838 0.079 Uiso 1 1 d R
O18 O 0.8002(6) 0.9786(3) 0.4599(4) 0.0868(11) Uani 1 1 d .
H9W H 0.6894 0.9595 0.4344 0.09(2) Uiso 1 1 d R
H10W H 0.8435 0.9693 0.5234 0.45(11) Uiso 1 1 d R
O19 O 0.3054(19) 0.0680(8) 0.7800(7) 0.338(8) Uani 1 1 d .
H12W H 0.2494 0.0216 0.7089 0.507 Uiso 1 1 d R
H11W H 0.3964 0.0605 0.8011 0.507 Uiso 1 1 d 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'
O O 0.0106 0.0060 '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
O2 C1 O1 126.7(2) . .
O2 C1 C2 116.7(2) . .
O1 C1 C2 116.5(2) . .
C3 C2 C7 121.3(2) . .
C3 C2 C1 119.1(2) . .
C7 C2 C1 119.6(2) . .
C4 C3 C2 119.4(2) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
O3 C4 C3 124.8(2) . .
O3 C4 C5 115.2(2) . .
C3 C4 C5 120.0(2) . .
O6 C5 C6 119.5(2) . .
O6 C5 C4 120.6(2) . .
C6 C5 C4 119.9(2) . .
O9 C6 C7 124.8(2) . .
O9 C6 C5 114.7(2) . .
C7 C6 C5 120.4(2) . .
C6 C7 C2 118.9(2) . .
C6 C7 H7 120.5 . .
C2 C7 H7 120.5 . .
O3 C8 C9 107.8(2) . .
O3 C8 H8A 110.1 . .
C9 C8 H8A 110.1 . .
O3 C8 H8B 110.1 . .
C9 C8 H8B 110.1 . .
H8A C8 H8B 108.5 . .
O5 C9 O4 126.6(2) . .
O5 C9 C8 118.1(2) . .
O4 C9 C8 115.3(2) . .
O6 C10 C11 111.5(2) . .
O6 C10 H10A 109.3 . .
C11 C10 H10A 109.3 . .
O6 C10 H10B 109.3 . .
C11 C10 H10B 109.3 . .
H10A C10 H10B 108.0 . .
O7 C11 O8 124.3(2) . .
O7 C11 C10 120.7(3) . .
O8 C11 C10 114.9(2) . .
O9 C12 C13 109.2(2) . .
O9 C12 H12A 109.8 . .
C13 C12 H12A 109.8 . .
O9 C12 H12B 109.8 . .
C13 C12 H12B 109.8 . .
H12A C12 H12B 108.3 . .
O10 C13 O11 127.4(2) . .
O10 C13 C12 118.2(2) . .
O11 C13 C12 114.3(2) . .
O13 Co1 O4 172.79(7) 2_666 1_565
O13 Co1 O11 98.69(7) 2_666 1_554
O4 Co1 O11 88.51(8) 1_565 1_554
O13 Co1 O12 83.99(7) 2_666 .
O4 Co1 O12 95.26(8) 1_565 .
O11 Co1 O12 94.09(7) 1_554 .
O13 Co1 O17 87.89(10) 2_666 .
O4 Co1 O17 91.55(10) 1_565 .
O11 Co1 O17 96.93(9) 1_554 .
O12 Co1 O17 167.18(9) . .
O13 Co1 O8 84.01(7) 2_666 2_667
O4 Co1 O8 88.79(7) 1_565 2_667
O11 Co1 O8 173.98(8) 1_554 2_667
O12 Co1 O8 80.80(7) . 2_667
O17 Co1 O8 88.52(9) . 2_667
O12 Co2 O1 96.33(7) . .
O12 Co2 O14 176.04(8) . .
O1 Co2 O14 87.61(8) . .
O12 Co2 O15 91.23(7) . .
O1 Co2 O15 88.63(8) . .
O14 Co2 O15 89.24(9) . .
O12 Co2 O5 90.98(7) . 1_565
O1 Co2 O5 171.21(8) . 1_565
O14 Co2 O5 85.13(8) . 1_565
O15 Co2 O5 86.32(8) . 1_565
O12 Co2 O8 85.34(7) . 2_667
O1 Co2 O8 99.51(8) . 2_667
O14 Co2 O8 93.65(9) . 2_667
O15 Co2 O8 171.46(7) . 2_667
O5 Co2 O8 85.92(7) 1_565 2_667
O2 Co3 O13 94.83(7) . .
O2 Co3 O12 96.11(7) . .
O13 Co3 O12 162.82(7) . .
O2 Co3 O16 89.25(9) . .
O13 Co3 O16 94.68(10) . .
O12 Co3 O16 98.66(10) . .
O2 Co3 O13 96.70(8) . 2_666
O13 Co3 O13 83.00(7) . 2_666
O12 Co3 O13 82.60(7) . 2_666
O16 Co3 O13 173.76(8) . 2_666
O2 Co3 O10 170.99(8) . 1_554
O13 Co3 O10 82.93(7) . 1_554
O12 Co3 O10 88.19(7) . 1_554
O16 Co3 O10 82.25(9) . 1_554
O13 Co3 O10 91.70(7) 2_666 1_554
C1 O1 Co2 136.25(17) . .
C1 O2 Co3 135.83(17) . .
C4 O3 C8 118.0(2) . .
C9 O4 Co1 125.66(17) . 1_545
C9 O5 Co2 130.78(18) . 1_545
C5 O6 C10 112.4(2) . .
C11 O8 Co2 134.73(17) . 2_667
C11 O8 Co1 126.88(17) . 2_667
Co2 O8 Co1 90.29(7) 2_667 2_667
C6 O9 C12 117.8(2) . .
C13 O10 Co3 131.18(17) . 1_556
C13 O11 Co1 122.25(17) . 1_556
Co2 O12 Co3 124.66(9) . .
Co2 O12 Co1 97.62(7) . .
Co3 O12 Co1 92.50(7) . .
Co2 O12 H12 109.7 . .
Co3 O12 H12 110.7 . .
Co1 O12 H12 121.0 . .
Co1 O13 Co3 147.43(9) 2_666 .
Co1 O13 Co3 92.58(7) 2_666 2_666
Co3 O13 Co3 97.00(7) . 2_666
Co1 O13 H13 108.0 2_666 .
Co3 O13 H13 99.9 . .
Co3 O13 H13 103.8 2_666 .
Co2 O14 H1W 109.5 . .
Co2 O14 H2W 126.9 . .
H1W O14 H2W 111.6 . .
Co2 O15 H3W 109.6 . .
Co2 O15 H4W 109.5 . .
H3W O15 H4W 110.1 . .
Co3 O16 H5W 104.4 . .
Co3 O16 H6W 115.7 . .
H5W O16 H6W 96.1 . .
Co1 O17 H7W 109.6 . .
Co1 O17 H8W 116.8 . .
H7W O17 H8W 112.3 . .
H9W O18 H10W 111.1 . .
H12W O19 H11W 113.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.249(3) .
C1 O1 1.255(3) .
C1 C2 1.510(3) .
C2 C3 1.388(3) .
C2 C7 1.389(3) .
C3 C4 1.384(4) .
C3 H3 0.9300 .
C4 O3 1.368(3) .
C4 C5 1.395(3) .
C5 O6 1.388(3) .
C5 C6 1.393(4) .
C6 O9 1.371(3) .
C6 C7 1.387(4) .
C7 H7 0.9300 .
C8 O3 1.422(3) .
C8 C9 1.525(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 O5 1.249(3) .
C9 O4 1.255(3) .
C10 O6 1.429(3) .
C10 C11 1.512(4) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 O7 1.230(4) .
C11 O8 1.272(3) .
C12 O9 1.425(3) .
C12 C13 1.523(3) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 O10 1.241(3) .
C13 O11 1.262(3) .
Co1 O13 2.0432(17) 2_666
Co1 O4 2.0691(19) 1_565
Co1 O11 2.0833(19) 1_554
Co1 O12 2.0972(18) .
Co1 O17 2.158(2) .
Co1 O8 2.2513(18) 2_667
Co2 O12 2.0308(17) .
Co2 O1 2.0419(18) .
Co2 O14 2.102(2) .
Co2 O15 2.1197(19) .
Co2 O5 2.1268(19) 1_565
Co2 O8 2.1294(19) 2_667
Co3 O2 2.0491(18) .
Co3 O13 2.0636(17) .
Co3 O12 2.0734(17) .
Co3 O16 2.107(2) .
Co3 O13 2.1237(18) 2_666
Co3 O10 2.1356(18) 1_554
O4 Co1 2.0691(19) 1_545
O5 Co2 2.1267(18) 1_545
O8 Co2 2.1294(19) 2_667
O8 Co1 2.2513(18) 2_667
O10 Co3 2.1356(18) 1_556
O11 Co1 2.0833(19) 1_556
O12 H12 0.8202 .
O13 Co1 2.0432(17) 2_666
O13 Co3 2.1237(18) 2_666
O13 H13 0.8153 .
O14 H1W 0.8200 .
O14 H2W 0.8302 .
O15 H3W 0.8360 .
O15 H4W 0.8200 .
O16 H5W 0.7470 .
O16 H6W 0.8278 .
O17 H7W 0.8200 .
O17 H8W 0.8293 .
O18 H9W 0.8301 .
O18 H10W 0.8304 .
O19 H12W 0.8301 .
O19 H11W 0.7232 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O19 H12W O18 0.83 2.04 2.709(9) 136.7 2_666
O18 H10W O4 0.83 2.65 3.102(4) 115.8 1_565
O17 H8W O18 0.83 2.20 2.935(4) 147.9 2_676
O17 H7W O7 0.82 2.12 2.863(3) 150.4 2_667
O16 H6W O9 0.83 2.36 2.953(3) 129.0 2_767
O16 H6W O6 0.83 2.29 3.081(3) 161.2 2_767
O15 H4W O6 0.82 1.93 2.746(2) 169.9 2_767
O15 H3W O3 0.84 2.37 2.872(3) 118.9 2_767
O15 H3W O5 0.84 1.98 2.733(3) 149.6 2_767
O14 H2W O19 0.83 1.87 2.609(6) 147.9 2_667
O14 H1W O15 0.82 1.95 2.729(3) 158.9 2_777
O13 H13 O10 0.82 2.36 2.781(3) 112.7 1_554
O12 H12 O7 0.82 2.44 3.184(3) 151.7 2_767
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
O2 C1 C2 C3 10.4(4) . .
O1 C1 C2 C3 -170.9(2) . .
O2 C1 C2 C7 -169.3(2) . .
O1 C1 C2 C7 9.4(4) . .
C7 C2 C3 C4 0.0(4) . .
C1 C2 C3 C4 -179.7(2) . .
C2 C3 C4 O3 179.6(3) . .
C2 C3 C4 C5 -0.4(4) . .
O3 C4 C5 O6 1.8(4) . .
C3 C4 C5 O6 -178.2(2) . .
O3 C4 C5 C6 -178.7(2) . .
C3 C4 C5 C6 1.3(4) . .
O6 C5 C6 O9 -1.8(4) . .
C4 C5 C6 O9 178.7(2) . .
O6 C5 C6 C7 177.8(2) . .
C4 C5 C6 C7 -1.7(4) . .
O9 C6 C7 C2 -179.2(3) . .
C5 C6 C7 C2 1.3(4) . .
C3 C2 C7 C6 -0.4(4) . .
C1 C2 C7 C6 179.3(2) . .
O3 C8 C9 O5 -19.3(4) . .
O3 C8 C9 O4 161.5(3) . .
O6 C10 C11 O7 -5.9(4) . .
O6 C10 C11 O8 172.7(2) . .
O9 C12 C13 O10 8.8(4) . .
O9 C12 C13 O11 -171.8(2) . .
O2 C1 O1 Co2 -6.8(4) . .
C2 C1 O1 Co2 174.63(18) . .
O12 Co2 O1 C1 -10.5(3) . .
O14 Co2 O1 C1 169.1(3) . .
O15 Co2 O1 C1 -101.6(3) . .
O5 Co2 O1 C1 -156.5(5) 1_565 .
O8 Co2 O1 C1 75.8(3) 2_667 .
O1 C1 O2 Co3 16.0(5) . .
C2 C1 O2 Co3 -165.41(19) . .
O13 Co3 O2 C1 -170.3(3) . .
O12 Co3 O2 C1 -3.6(3) . .
O16 Co3 O2 C1 95.1(3) . .
O13 Co3 O2 C1 -86.8(3) 2_666 .
O10 Co3 O2 C1 114.5(5) 1_554 .
C3 C4 O3 C8 -14.2(4) . .
C5 C4 O3 C8 165.8(3) . .
C9 C8 O3 C4 -166.9(3) . .
O5 C9 O4 Co1 10.6(4) . 1_545
C8 C9 O4 Co1 -170.3(2) . 1_545
O4 C9 O5 Co2 -12.4(5) . 1_545
C8 C9 O5 Co2 168.5(2) . 1_545
C6 C5 O6 C10 89.4(3) . .
C4 C5 O6 C10 -91.0(3) . .
C11 C10 O6 C5 -165.3(2) . .
O7 C11 O8 Co2 179.8(2) . 2_667
C10 C11 O8 Co2 1.3(4) . 2_667
O7 C11 O8 Co1 41.0(4) . 2_667
C10 C11 O8 Co1 -137.5(2) . 2_667
C7 C6 O9 C12 19.1(4) . .
C5 C6 O9 C12 -161.4(2) . .
C13 C12 O9 C6 160.9(2) . .
O11 C13 O10 Co3 4.2(4) . 1_556
C12 C13 O10 Co3 -176.47(18) . 1_556
O10 C13 O11 Co1 -3.9(4) . 1_556
C12 C13 O11 Co1 176.79(18) . 1_556
O1 Co2 O12 Co3 20.15(12) . .
O14 Co2 O12 Co3 -154.3(12) . .
O15 Co2 O12 Co3 108.91(11) . .
O5 Co2 O12 Co3 -164.75(11) 1_565 .
O8 Co2 O12 Co3 -78.93(11) 2_667 .
O1 Co2 O12 Co1 118.54(8) . .
O14 Co2 O12 Co1 -55.9(13) . .
O15 Co2 O12 Co1 -152.70(7) . .
O5 Co2 O12 Co1 -66.36(8) 1_565 .
O8 Co2 O12 Co1 19.46(7) 2_667 .
O2 Co3 O12 Co2 -16.17(12) . .
O13 Co3 O12 Co2 113.1(2) . .
O16 Co3 O12 Co2 -106.34(12) . .
O13 Co3 O12 Co2 79.83(11) 2_666 .
O10 Co3 O12 Co2 171.78(11) 1_554 .
O2 Co3 O12 Co1 -117.21(8) . .
O13 Co3 O12 Co1 12.1(3) . .
O16 Co3 O12 Co1 152.62(8) . .
O13 Co3 O12 Co1 -21.21(7) 2_666 .
O10 Co3 O12 Co1 70.74(7) 1_554 .
O13 Co1 O12 Co2 -103.44(7) 2_666 .
O4 Co1 O12 Co2 69.36(8) 1_565 .
O11 Co1 O12 Co2 158.24(8) 1_554 .
O17 Co1 O12 Co2 -52.5(4) . .
O8 Co1 O12 Co2 -18.55(7) 2_667 .
O13 Co1 O12 Co3 22.02(7) 2_666 .
O4 Co1 O12 Co3 -165.18(7) 1_565 .
O11 Co1 O12 Co3 -76.31(7) 1_554 .
O17 Co1 O12 Co3 73.0(4) . .
O8 Co1 O12 Co3 106.90(7) 2_667 .
O2 Co3 O13 Co1 -9.87(19) . 2_666
O12 Co3 O13 Co1 -139.3(2) . 2_666
O16 Co3 O13 Co1 79.77(19) . 2_666
O13 Co3 O13 Co1 -106.05(19) 2_666 2_666
O10 Co3 O13 Co1 161.35(18) 1_554 2_666
O2 Co3 O13 Co3 96.18(8) . 2_666
O12 Co3 O13 Co3 -33.2(3) . 2_666
O16 Co3 O13 Co3 -174.18(9) . 2_666
O13 Co3 O13 Co3 0.0 2_666 2_666
O10 Co3 O13 Co3 -92.60(8) 1_554 2_666
