#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/13/4001326.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_4001326
loop_
_publ_author_name
'Chen, Pang-Kuan'
'Che, Yun-Xia'
'Zheng, Ji-Min'
'Batten, Stuart R.'
_publ_section_title
;
 Heteropolynuclear Metamagnet Showing Spin Canting and Single-Crystal to
 Single-Crystal Phase Transformation
;
_journal_issue                   9
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2162
_journal_paper_doi               10.1021/cm062801s
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'C128 H156 Co12 O114 Zn8'
_chemical_formula_weight         4748.65
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           53
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2'
_symmetry_space_group_name_H-M   'P m n a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   21.881(11)
_cell_length_b                   7.070(3)
_cell_length_c                   26.967(13)
_cell_measurement_reflns_used    5771
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.40
_cell_volume                     4172(3)
_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      294(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0955
_diffrn_reflns_av_sigmaI/netI    0.0691
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            18709
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.20
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.404
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.520953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.890
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2400
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.486
_refine_diff_density_min         -1.698
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.319
_refine_ls_hydrogen_treatment    ref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         3789
_refine_ls_number_restraints     46
_refine_ls_restrained_S_all      1.314
_refine_ls_R_factor_all          0.1479
_refine_ls_R_factor_gt           0.1260
_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)+(0.0001P)²+237.8860P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2851
_refine_ls_wR_factor_ref         0.2947
_reflns_number_gt                3019
_reflns_number_total             3789
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm062801ssi20061123_073237.cif
_cod_data_source_block           051012b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      Pmna
_cod_database_code               4001326
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x, -y, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x-1/2, -y, z-1/2'
'-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
C1 C 0.3030(7) 0.854(3) 0.4123(6) 0.025(4) Uani 1 1 d U . .
C2 C 0.3281(8) 0.795(3) 0.4625(5) 0.029(4) Uani 1 1 d . . .
C3 C 0.3897(9) 0.790(5) 0.4708(7) 0.082(11) Uani 1 1 d . . .
H3 H 0.4172 0.8174 0.4456 0.098 Uiso 1 1 calc R . .
C4 C 0.4105(10) 0.742(6) 0.5184(7) 0.102(15) Uani 1 1 d . . .
H4 H 0.4523 0.7424 0.5250 0.123 Uiso 1 1 calc R . .
C5 C 0.3699(10) 0.695(5) 0.5555(7) 0.072(9) Uani 1 1 d . . .
H5 H 0.3845 0.6537 0.5861 0.086 Uiso 1 1 calc R . .
C6 C 0.3081(8) 0.708(3) 0.5475(5) 0.026(4) Uani 1 1 d . . .
C7 C 0.2872(7) 0.750(2) 0.4997(6) 0.021(4) Uani 1 1 d . . .
H7 H 0.2456 0.7468 0.4929 0.025 Uiso 1 1 calc R . .
C8 C 0.2623(8) 0.669(3) 0.5886(6) 0.028(4) Uani 1 1 d . . .
C9 C 0.1138(7) 0.787(4) 0.2526(7) 0.058(8) Uani 1 1 d . . .
C10 C 0.0546(7) 0.754(3) 0.2262(5) 0.020(4) Uani 1 1 d . . .
C11 C 0.0556(7) 0.684(3) 0.1776(6) 0.024(4) Uani 1 1 d U . .
H11 H 0.0925 0.6617 0.1615 0.029 Uiso 1 1 calc R . .
C12 C 0.0000 0.650(4) 0.1538(8) 0.027(5) Uani 1 2 d SU . .
H12 H 0.0000 0.6036 0.1215 0.033 Uiso 1 2 calc SR . .
C13 C 0.0000 0.792(3) 0.2491(8) 0.013(4) Uani 1 2 d SU . .
H13 H 0.0000 0.8448 0.2807 0.016 Uiso 1 2 calc SR . .
C14 C 0.3854(7) 1.262(2) 0.2556(5) 0.020(4) Uani 1 1 d . . .
C15 C 0.4446(7) 1.308(2) 0.2307(5) 0.017(3) Uani 1 1 d . . .
C16 C 0.4444(8) 1.390(3) 0.1832(6) 0.028(4) Uani 1 1 d U . .
H16 H 0.4077 1.4140 0.1670 0.034 Uiso 1 1 calc R . .
C17 C 0.5000 1.434(4) 0.1606(8) 0.034(7) Uani 1 2 d S . .
H17 H 0.5000 1.4948 0.1299 0.041 Uiso 1 2 calc SR . .
C18 C 0.5000 1.268(4) 0.2542(8) 0.022(5) Uani 1 2 d S . .
H18 H 0.5000 1.2145 0.2857 0.026 Uiso 1 2 calc SR . .
Co1 Co 0.18185(9) 0.8384(3) 0.34996(7) 0.0176(5) Uani 1 1 d . . .
Co2 Co 0.2500 0.7970(4) 0.2500 0.0116(6) Uani 1 2 d S . .
H11A H 0.200(6) 0.510(15) 0.297(6) 0.03(6) Uiso 1 1 d D . .
H12A H 0.221(9) 1.104(16) 0.293(7) 0.05(7) Uiso 1 1 d D . .
H11B H 0.252(4) 0.530(16) 0.324(5) 0.01(4) Uiso 1 1 d D . .
O1 O 0.2473(6) 0.843(2) 0.4050(4) 0.051(4) Uani 1 1 d . . .
O2 O 0.3413(5) 0.930(2) 0.3834(4) 0.034(3) Uani 1 1 d . . .
O3 O 0.2076(5) 0.6512(19) 0.5777(4) 0.032(3) Uani 1 1 d . . .
O4 O 0.2835(6) 0.6629(17) 0.6333(4) 0.030(3) Uani 1 1 d . . .
O5 O 0.1124(5) 0.8285(16) 0.2980(3) 0.020(2) Uani 1 1 d U . .
O6 O 0.1625(5) 0.7758(19) 0.2270(4) 0.027(3) Uani 1 1 d . . .
O7 O 0.3883(5) 1.183(2) 0.2971(4) 0.033(3) Uani 1 1 d . . .
O8 O 0.3355(5) 1.3040(19) 0.2342(5) 0.039(3) Uani 1 1 d . . .
O9 O 0.1341(6) 1.0713(19) 0.3826(4) 0.034(3) Uani 1 1 d . . .
O10 O 0.1359(5) 0.6549(17) 0.3983(4) 0.025(3) Uani 1 1 d . . .
O11 O 0.2238(5) 0.5931(16) 0.3092(4) 0.019(2) Uani 1 1 d D . .
O12 O 0.2359(5) 1.0029(17) 0.3042(4) 0.018(2) Uani 1 1 d D . .
O13 O 0.3802(7) 0.795(3) 0.0025(6) 0.081(6) Uani 1 1 d . . .
O14 O 0.0000 0.137(14) 0.115(2) 0.13(3) Uani 0.50 2 d SP . .
O15 O 0.0000 0.951(9) 0.3869(15) 0.17(2) Uani 1 2 d S . .
O16 O 0.5000 0.671(9) 0.026(3) 0.10(3) Uani 0.49(6) 2 d SP A 1
O16' O 0.5000 0.760(11) -0.035(3) 0.12(3) Uani 0.51(6) 2 d SPU A 2
Zn1 Zn 0.31415(8) 1.0970(3) 0.32952(6) 0.0250(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'
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'
Zn Zn 0.2839 1.4301 '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 C1 O2 125.7(16) . .
O1 C1 C2 118.7(15) . .
O2 C1 C2 115.2(14) . .
C3 C2 C7 120.8(16) . .
C3 C2 C1 120.7(16) . .
C7 C2 C1 118.4(15) . .
C2 C3 C4 118.6(19) . .
C2 C3 H3 120.7 . .
C4 C3 H3 120.7 . .
C5 C4 C3 121(2) . .
C5 C4 H4 119.6 . .
C3 C4 H4 119.6 . .
C6 C5 C4 120.1(18) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C5 C6 C7 118.9(16) . .
C5 C6 C8 121.4(15) . .
C7 C6 C8 119.6(15) . .
C2 C7 C6 120.4(15) . .
C2 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
O3 C8 O4 124.4(16) . .
O3 C8 C6 118.8(14) . .
O4 C8 C6 116.7(15) . .
O5 C9 O6 124.2(16) . .
O5 C9 C10 118.5(14) . .
O6 C9 C10 117.3(15) . .
C13 C10 C11 120.3(15) . .
C13 C10 C9 120.6(15) . .
C11 C10 C9 119.1(14) . .
C12 C11 C10 118.5(15) . .
C12 C11 H11 120.7 . .
C10 C11 H11 120.7 . .
C11 C12 C11 121(2) . 8
C11 C12 H12 119.5 . .
C11 C12 H12 119.5 8 .
C10 C13 C10 121(2) 8 .
C10 C13 H13 119.5 8 .
C10 C13 H13 119.5 . .
O7 C14 O8 123.7(15) . .
O7 C14 C15 117.0(14) . .
O8 C14 C15 119.2(13) . .
C18 C15 C16 120.0(15) . .
C18 C15 C14 120.2(14) . .
C16 C15 C14 119.8(14) . .
C17 C16 C15 119.2(16) . .
C17 C16 H16 120.4 . .
C15 C16 H16 120.4 . .
C16 C17 C16 121(2) 8_655 .
C16 C17 H17 119.4 8_655 .
C16 C17 H17 119.4 . .
C15 C18 C15 120(2) . 8_655
C15 C18 H18 119.8 . .
C15 C18 H18 119.8 8_655 .
O1 Co1 O12 91.4(5) . .
O1 Co1 O5 176.5(5) . .
O12 Co1 O5 92.0(4) . .
O1 Co1 O10 84.0(5) . .
O12 Co1 O10 173.6(5) . .
O5 Co1 O10 92.7(4) . .
O1 Co1 O9 91.9(6) . .
O12 Co1 O9 95.3(5) . .
O5 Co1 O9 86.9(4) . .
O10 Co1 O9 89.2(5) . .
O1 Co1 O11 94.5(5) . .
O12 Co1 O11 84.7(4) . .
O5 Co1 O11 86.7(4) . .
O10 Co1 O11 91.3(4) . .
O9 Co1 O11 173.6(4) . .
O6 Co2 O6 171.5(8) . 3
O6 Co2 O12 97.3(4) . .
O6 Co2 O12 88.7(4) 3 .
O6 Co2 O12 88.7(4) . 3
O6 Co2 O12 97.3(4) 3 3
O12 Co2 O12 91.5(6) . 3
O6 Co2 O11 88.6(4) . 3
O6 Co2 O11 85.9(4) 3 3
O12 Co2 O11 173.0(4) . 3
O12 Co2 O11 84.9(4) 3 3
O6 Co2 O11 85.9(4) . .
O6 Co2 O11 88.6(4) 3 .
O12 Co2 O11 84.9(4) . .
O12 Co2 O11 173.0(4) 3 .
O11 Co2 O11 99.2(6) 3 .
C1 O1 Co1 143.1(11) . .
C1 O2 Zn1 120.7(11) . .
C8 O4 Zn1 122.4(12) . 4_576
C9 O5 Co1 130.4(10) . .
C9 O6 Co2 128.7(11) . .
C14 O7 Zn1 119.9(11) . .
Co2 O11 Co1 87.5(4) . .
Co2 O11 H11A 109(10) . .
Co1 O11 H11A 119(10) . .
Co2 O11 H11B 119(10) . .
Co1 O11 H11B 118(10) . .
H11A O11 H11B 105(9) . .
Zn1 O12 Co1 118.8(5) . .
Zn1 O12 Co2 110.6(5) . .
Co1 O12 Co2 96.4(5) . .
Zn1 O12 H12A 101(10) . .
Co1 O12 H12A 118(10) . .
Co2 O12 H12A 113(10) . .
O7 Zn1 O12 132.9(5) . .
O7 Zn1 O2 105.5(5) . .
O12 Zn1 O2 108.6(5) . .
O7 Zn1 O4 103.3(5) . 4_576
O12 Zn1 O4 99.4(5) . 4_576
O2 Zn1 O4 103.4(5) . 4_576
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.24(2) .
C1 O2 1.26(2) .
C1 C2 1.52(2) .
C2 C3 1.37(3) .
C2 C7 1.38(2) .
C3 C4 1.40(3) .
C3 H3 0.9300 .
C4 C5 1.38(3) .
C4 H4 0.9300 .
C5 C6 1.37(3) .
C5 H5 0.9300 .
C6 C7 1.40(2) .
C6 C8 1.52(2) .
C7 H7 0.9300 .
C8 O3 1.24(2) .
C8 O4 1.292(19) .
C9 O5 1.26(2) .
C9 O6 1.27(2) .
C9 C10 1.50(2) .
C10 C13 1.371(18) .
C10 C11 1.40(2) .
C11 C12 1.397(19) .
C11 H11 0.9300 .
C12 C11 1.397(19) 8
C12 H12 0.9300 .
C13 C10 1.371(18) 8
C13 H13 0.9300 .
C14 O7 1.252(19) .
C14 O8 1.272(19) .
C14 C15 1.50(2) .
C15 C18 1.397(18) .
C15 C16 1.41(2) .
C16 C17 1.40(2) .
C16 H16 0.9300 .
C17 C16 1.40(2) 8_655
C17 H17 0.9300 .
C18 C15 1.397(18) 8_655
C18 H18 0.9300 .
Co1 O1 2.062(11) .
Co1 O12 2.067(11) .
Co1 O5 2.069(10) .
Co1 O10 2.096(11) .
Co1 O9 2.139(12) .
Co1 O11 2.250(12) .
Co2 O6 2.018(10) .
Co2 O6 2.018(10) 3
Co2 O12 2.085(11) .
Co2 O12 2.085(11) 3
Co2 O11 2.226(11) 3
Co2 O11 2.226(11) .
O2 Zn1 1.963(12) .
O4 Zn1 2.082(12) 4_576
O7 Zn1 1.942(11) .
O11 H11A 0.851(10) .
O11 H11B 0.851(10) .
O12 Zn1 1.960(10) .
O12 H12A 0.850(10) .
Zn1 O4 2.082(12) 4_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
O1 C1 C2 C3 174(2) . .
O2 C1 C2 C3 -13(3) . .
O1 C1 C2 C7 -7(3) . .
O2 C1 C2 C7 166.2(16) . .
C7 C2 C3 C4 -2(5) . .
C1 C2 C3 C4 177(3) . .
C2 C3 C4 C5 2(6) . .
C3 C4 C5 C6 -5(6) . .
C4 C5 C6 C7 7(4) . .
C4 C5 C6 C8 -176(3) . .
C3 C2 C7 C6 4(3) . .
C1 C2 C7 C6 -175.3(16) . .
C5 C6 C7 C2 -6(3) . .
C8 C6 C7 C2 176.5(17) . .
C5 C6 C8 O3 -168(2) . .
C7 C6 C8 O3 9(3) . .
C5 C6 C8 O4 14(3) . .
C7 C6 C8 O4 -168.8(16) . .
O5 C9 C10 C13 9(3) . .
O6 C9 C10 C13 -170(2) . .
O5 C9 C10 C11 -172(2) . .
O6 C9 C10 C11 10(3) . .
C13 C10 C11 C12 -2(3) . .
C9 C10 C11 C12 179(2) . .
C10 C11 C12 C11 0(4) . 8
C11 C10 C13 C10 4(3) . 8
C9 C10 C13 C10 -176.9(17) . 8
O7 C14 C15 C18 -1(2) . .
O8 C14 C15 C18 178.0(18) . .
O7 C14 C15 C16 177.7(15) . .
O8 C14 C15 C16 -3(2) . .
C18 C15 C16 C17 -2(3) . .
C14 C15 C16 C17 179.3(18) . .
C15 C16 C17 C16 3(4) . 8_655
C16 C15 C18 C15 0(3) . 8_655
C14 C15 C18 C15 178.8(14) . 8_655
O2 C1 O1 Co1 25(4) . .
C2 C1 O1 Co1 -163.2(17) . .
O12 Co1 O1 C1 -29(3) . .
O5 Co1 O1 C1 166(8) . .
O10 Co1 O1 C1 147(3) . .
O9 Co1 O1 C1 -124(3) . .
O11 Co1 O1 C1 56(3) . .
O1 C1 O2 Zn1 15(3) . .
C2 C1 O2 Zn1 -157.1(12) . .
O3 C8 O4 Zn1 -107(2) . 4_576
C6 C8 O4 Zn1 70.7(19) . 4_576
O6 C9 O5 Co1 -14(4) . .
C10 C9 O5 Co1 167.9(13) . .
O1 Co1 O5 C9 -145(9) . .
O12 Co1 O5 C9 50(2) . .
O10 Co1 O5 C9 -125(2) . .
O9 Co1 O5 C9 145(2) . .
O11 Co1 O5 C9 -34(2) . .
O5 C9 O6 Co2 6(4) . .
C10 C9 O6 Co2 -176.3(14) . .
O6 Co2 O6 C9 98(2) 3 .
O12 Co2 O6 C9 -36(2) . .
O12 Co2 O6 C9 -127(2) 3 .
O11 Co2 O6 C9 148(2) 3 .
O11 Co2 O6 C9 48(2) . .
O8 C14 O7 Zn1 6(2) . .
C15 C14 O7 Zn1 -174.4(11) . .
O6 Co2 O11 Co1 -79.4(4) . .
O6 Co2 O11 Co1 107.1(4) 3 .
O12 Co2 O11 Co1 18.3(4) . .
O12 Co2 O11 Co1 -41(4) 3 .
O11 Co2 O11 Co1 -167.3(5) 3 .
O1 Co1 O11 Co2 -109.4(5) . .
O12 Co1 O11 Co2 -18.4(4) . .
O5 Co1 O11 Co2 73.9(4) . .
O10 Co1 O11 Co2 166.5(4) . .
O9 Co1 O11 Co2 72(4) . .
O1 Co1 O12 Zn1 -3.5(8) . .
O5 Co1 O12 Zn1 175.6(6) . .
O10 Co1 O12 Zn1 -46(4) . .
O9 Co1 O12 Zn1 88.5(7) . .
O11 Co1 O12 Zn1 -97.9(6) . .
O1 Co1 O12 Co2 114.3(6) . .
O5 Co1 O12 Co2 -66.7(5) . .
O10 Co1 O12 Co2 71(4) . .
O9 Co1 O12 Co2 -153.7(4) . .
O11 Co1 O12 Co2 19.8(4) . .
O6 Co2 O12 Zn1 -170.8(6) . .
O6 Co2 O12 Zn1 15.3(6) 3 .
O12 Co2 O12 Zn1 -81.9(5) 3 .
O11 Co2 O12 Zn1 -23(4) 3 .
O11 Co2 O12 Zn1 104.0(6) . .
O6 Co2 O12 Co1 65.1(5) . .
O6 Co2 O12 Co1 -108.8(5) 3 .
O12 Co2 O12 Co1 154.0(6) 3 .
O11 Co2 O12 Co1 -147(3) 3 .
O11 Co2 O12 Co1 -20.1(4) . .
C14 O7 Zn1 O12 30.7(16) . .
C14 O7 Zn1 O2 165.9(13) . .
C14 O7 Zn1 O4 -85.9(13) . 4_576
Co1 O12 Zn1 O7 158.0(6) . .
Co2 O12 Zn1 O7 48.0(9) . .
Co1 O12 Zn1 O2 23.7(8) . .
Co2 O12 Zn1 O2 -86.3(6) . .
Co1 O12 Zn1 O4 -83.9(7) . 4_576
Co2 O12 Zn1 O4 166.1(5) . 4_576
C1 O2 Zn1 O7 178.5(13) . .
C1 O2 Zn1 O12 -34.6(14) . .
C1 O2 Zn1 O4 70.3(14) . 4_576
