#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:40:23 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178819 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/73/4107322.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_4107322
loop_
_publ_author_name
'Graham N. Newton'
'Geoffrey J. T. Cooper'
'Paul Kögerler'
'De-Liang Long'
'Leroy Cronin'
_publ_section_title
;
 Trading Templates: Supramolecular Transformations between {CoII13} and
 {CoII12} Nanoclusters
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              790
_journal_page_last               791
_journal_paper_doi               10.1021/ja0768183
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety
'(C64 H150 Co13 N18 O43), 9(H2 O), 10(C H4 O)'
_chemical_formula_sum            'C74 H208 Co13 N18 O62'
_chemical_formula_weight         3108.67
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_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                120.00
_cell_formula_units_Z            2
_cell_length_a                   21.4287(7)
_cell_length_b                   21.4287(7)
_cell_length_c                   23.3492(9)
_cell_measurement_reflns_used    15683
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      23.534
_cell_measurement_theta_min      1.41
_cell_volume                     9285.3(6)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius kappa CCD'
_diffrn_measurement_method       'ω & π 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  0.0728
_diffrn_reflns_av_sigmaI/netI    0.0411
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20778
_diffrn_reflns_theta_full        22.99
_diffrn_reflns_theta_max         22.99
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    1.195
_exptl_absorpt_correction_T_max  0.7960
_exptl_absorpt_correction_T_min  0.7157
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
R. H. Blessing, Acta Crystallogr., Sect A 1995, 51, 33-38.   
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.112
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3250
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.42
_refine_diff_density_rms         0.11
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     213
_refine_ls_number_reflns         2422
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.1129
_refine_ls_R_factor_gt           0.0778
_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)+(0.1395P)²+22.3517P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2144
_refine_ls_wR_factor_ref         0.2478
_reflns_number_gt                1640
_reflns_number_total             2422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0768183-file001.cif
_cod_data_source_block           gn228
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4107322
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, -x, -z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -x+y, -z'
'-y, x-y, z'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x+y, -x, z'
'-x, -y, -z'
'x, y, -z-1/2'
'y, x, z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'
'x, x-y, z'
'y, -x+y, -z'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'x-y, x, -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
Co1 Co 0.81917(7) 0.33010(7) 0.7500 0.0534(5) Uani 1 2 d S . .
Co2 Co 0.80570(4) 0.19430(4) 0.68780(7) 0.0605(6) Uani 1 2 d S . .
Co3 Co 0.6667 0.3333 0.7101(2) 0.0577(13) Uani 0.50 6 d SPD . .
O1 O 0.7593(5) 0.3796(2) 0.7500 0.050(2) Uani 1 4 d S . .
O2 O 0.8611(3) 0.2614(3) 0.7500 0.0521(17) Uani 1 2 d S . .
H2 H 0.9147 0.2832 0.7500 0.063 Uiso 1 2 calc SR . .
O3 O 0.75239(16) 0.24761(16) 0.6920(3) 0.0523(17) Uani 1 2 d S . .
H3 H 0.7384 0.2616 0.6554 0.063 Uiso 1 2 calc SR . .
O4 O 0.85802(18) 0.14198(18) 0.7016(3) 0.075(2) Uani 1 2 d S . .
O5 O 0.8844(3) 0.3905(3) 0.6832(3) 0.0836(19) Uani 1 1 d . . .
O8 O 0.6903(9) 0.3806(18) 0.6292(11) 0.069(17) Uiso 0.17 2 d SPD . .
O9 O 0.7142(18) 0.3571(9) 0.6293(11) 0.087(18) Uani 0.17 2 d SPD . .
N1 N 0.8775(4) 0.2620(4) 0.6313(4) 0.078(2) Uani 1 1 d . . .
H1A H 0.8830 0.3067 0.6385 0.094 Uiso 1 1 calc R . .
H1B H 0.9208 0.2650 0.6400 0.094 Uiso 1 1 calc R . .
N2 N 0.9039(3) 0.0961(3) 0.5433(4) 0.097(4) Uani 1 2 d S . .
H2A H 0.8720 0.0480 0.5407 0.146 Uiso 0.50 1 calc PR . .
H2B H 0.9402 0.1037 0.5676 0.146 Uiso 0.50 1 calc PR . .
H2C H 0.9224 0.1136 0.5080 0.146 Uiso 0.50 1 calc PR . .
C1 C 0.7885(3) 0.2115(3) 0.5517(6) 0.098(4) Uani 1 2 d S . .
H1C H 0.7855 0.2145 0.5096 0.118 Uiso 1 2 calc SR . .
H1D H 0.7643 0.2357 0.5693 0.118 Uiso 1 2 calc SR . .
C2 C 0.8675(5) 0.2504(6) 0.5696(5) 0.093(3) Uani 1 1 d . . .
H2 H 0.8909 0.2990 0.5511 0.111 Uiso 1 1 calc R . .
C3 C 0.9046(5) 0.2104(6) 0.5457(4) 0.094(3) Uani 1 1 d . . .
H3A H 0.9046 0.2120 0.5034 0.112 Uiso 1 1 calc R . .
H3B H 0.9553 0.2345 0.5589 0.112 Uiso 1 1 calc R . .
C4 C 0.8664(3) 0.1336(3) 0.5653(6) 0.081(4) Uani 1 2 d S . .
H4 H 0.8672 0.1328 0.6081 0.097 Uiso 1 2 calc SR . .
C5 C 0.8736(4) 0.1264(4) 0.7500 0.097(7) Uani 1 4 d SD . .
C6 C 0.8876(14) 0.0617(12) 0.7500 0.100(12) Uani 0.50 2 d SPD . .
C7 C 0.9147(19) 0.4574(10) 0.6767(15) 0.073(12) Uani 0.50 2 d SPD . 1
C7' C 0.8932(16) 0.4466(8) 0.6536(12) 0.058(10) Uani 0.50 2 d SPD . 2
C8 C 0.982(2) 0.4908(12) 0.640(2) 0.087(15) Uiso 0.30 2 d SPD . 1
C8' C 0.917(3) 0.4587(13) 0.5920(12) 0.077(11) Uiso 0.30 2 d SPD . 2
C8" C 0.959(2) 0.4795(10) 0.6160(19) 0.063(11) Uiso 0.30 2 d SPD A 3
C9 C 0.6667 0.3333 0.6030(15) 0.034(7) Uani 0.50 6 d SPD . .
C10 C 0.6667 0.3333 0.536(3) 0.124(19) Uiso 0.50 6 d SP . .
O11 O 0.0379(8) 0.1561(8) 0.5669(6) 0.079(4) Uiso 0.40 1 d P . 1
O12 O 0.0450(10) 0.1855(10) 0.6021(8) 0.105(5) Uiso 0.40 1 d P B 2
C11 C 0.0856(6) 0.1712(12) 0.6083(9) 0.097(6) Uiso 0.70 2 d SP . 1
C12 C 0.046(2) 0.174(2) 0.6645(16) 0.114(12) Uiso 0.30 1 d P . 2
O13 O 0.0025(19) 0.3023(19) 0.7500 0.102(12) Uiso 0.40 2 d SPD . 4
C13 C 0.019(4) 0.308(4) 0.8110(11) 0.12(2) Uiso 0.20 1 d PD . 4
O14 O 0.015(2) 0.328(2) 0.7500 0.088(14) Uiso 0.30 2 d SPD C 1
C14 C 0.045(3) 0.406(2) 0.7500 0.103(15) Uiso 0.30 2 d SPD C 1
O15 O 0.0380(11) 0.2968(11) 0.8502(9) 0.107(7) Uiso 0.40 1 d PD . 2
C15 C 0.021(8) 0.304(8) 0.791(2) 0.04(3) Uiso 0.05 1 d PD . 2
O16 O 0.044(2) 0.324(2) 0.8702(17) 0.098(12) Uiso 0.20 1 d PD D 3
C16 C 0.081(5) 0.391(3) 0.902(4) 0.18(3) Uiso 0.20 1 d PD D 3
O17 O 0.136(2) 0.403(3) 0.903(2) 0.105(14) Uiso 0.15 1 d PD E 1
C17 C 0.195(2) 0.390(4) 0.893(4) 0.07(2) Uiso 0.14 2 d SPD . 1
C17' C 0.135(5) 0.456(5) 0.913(3) 0.044(19) Uiso 0.08 1 d P E 1
O18 O 0.0000 0.410(3) 1.0000 0.056(17) Uiso 0.10 2 d SPD . 2
C18 C 0.039(3) 0.405(3) 0.9522(18) 0.072(15) Uiso 0.15 1 d PD F 2
O18' O 0.083(4) 0.426(3) 0.932(3) 0.079(16) Uiso 0.10 1 d P F 2
O19 O 0.829(5) 0.414(2) 0.533(4) 0.08(2) Uiso 0.10 2 d SP . .
O19' O 0.824(11) 0.412(5) 0.497(10) 0.13(6) Uiso 0.06 2 d SP . .
O20 O 0.124(4) 0.365(4) 0.7500 0.064(19) Uiso 0.10 2 d SP . .
O21 O 0.0000 0.0000 0.5000 0.062(19) Uiso 0.24 12 d SP . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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 Co1 O5 94.5(2) . 14_557
O1 Co1 O5 94.5(2) . .
O5 Co1 O5 98.3(4) 14_557 .
O1 Co1 O2 168.9(3) . .
O5 Co1 O2 92.72(19) 14_557 .
O5 Co1 O2 92.72(19) . .
O1 Co1 O3 95.5(2) . .
O5 Co1 O3 166.3(2) 14_557 .
O5 Co1 O3 90.2(2) . .
O2 Co1 O3 76.1(2) . .
O1 Co1 O3 95.5(2) . 14_557
O5 Co1 O3 90.2(2) 14_557 14_557
O5 Co1 O3 166.3(2) . 14_557
O2 Co1 O3 76.1(2) . 14_557
O3 Co1 O3 79.6(3) . 14_557
O4 Co2 O2 89.3(2) . .
O4 Co2 O2 89.3(2) . 3_666
O2 Co2 O2 83.6(3) . 3_666
O4 Co2 O3 167.7(3) . .
O2 Co2 O3 81.5(2) . .
O2 Co2 O3 81.5(2) 3_666 .
O4 Co2 N1 94.1(2) . 16_665
O2 Co2 N1 172.3(3) . 16_665
O2 Co2 N1 89.6(3) 3_666 16_665
O3 Co2 N1 94.1(2) . 16_665
O4 Co2 N1 94.1(2) . .
O2 Co2 N1 89.6(3) . .
O2 Co2 N1 172.3(3) 3_666 .
O3 Co2 N1 94.1(2) . .
N1 Co2 N1 97.0(4) 16_665 .
O4 Co2 Co2 80.6(2) . 14_557
O2 Co2 Co2 42.50(14) . 14_557
O2 Co2 Co2 42.50(14) 3_666 14_557
O3 Co2 Co2 87.16(19) . 14_557
N1 Co2 Co2 131.4(2) 16_665 14_557
N1 Co2 Co2 131.4(2) . 14_557
Co3 Co3 O1 61.54(19) 14_557 .
Co3 Co3 O1 61.54(19) 14_557 3_666
O1 Co3 O1 99.2(2) . 3_666
Co3 Co3 O1 61.54(19) 14_557 17_655
O1 Co3 O1 99.2(2) . 17_655
O1 Co3 O1 99.2(2) 3_666 17_655
Co3 Co3 O8 155.1(9) 14_557 20
O1 Co3 O8 104.3(6) . 20
O1 Co3 O8 104.3(6) 3_666 20
O1 Co3 O8 143.4(9) 17_655 20
Co3 Co3 O8 155.1(9) 14_557 16_665
O1 Co3 O8 143.4(9) . 16_665
O1 Co3 O8 104.3(6) 3_666 16_665
O1 Co3 O8 104.3(6) 17_655 16_665
O8 Co3 O8 42.8(15) 20 16_665
Co3 Co3 O8 155.1(9) 14_557 .
O1 Co3 O8 104.3(6) . .
O1 Co3 O8 143.4(9) 3_666 .
O1 Co3 O8 104.3(6) 17_655 .
O8 Co3 O8 42.8(15) 20 .
O8 Co3 O8 42.8(15) 16_665 .
Co3 Co3 O9 154.9(9) 14_557 16_665
O1 Co3 O9 128.2(3) . 16_665
O1 Co3 O9 93.4(9) 3_666 16_665
O1 Co3 O9 128.2(3) 17_655 16_665
O8 Co3 O9 24.4(8) 20 16_665
O8 Co3 O9 24.4(8) 16_665 16_665
O8 Co3 O9 50.0(17) . 16_665
Co3 Co3 O9 154.9(9) 14_557 .
O1 Co3 O9 93.4(9) . .
O1 Co3 O9 128.2(3) 3_666 .
O1 Co3 O9 128.2(3) 17_655 .
O8 Co3 O9 24.4(8) 20 .
O8 Co3 O9 50.0(17) 16_665 .
O8 Co3 O9 24.4(8) . .
O9 Co3 O9 43.1(15) 16_665 .
Co3 Co3 O9 154.9(9) 14_557 17_655
O1 Co3 O9 128.2(3) . 17_655
O1 Co3 O9 128.2(3) 3_666 17_655
O1 Co3 O9 93.4(9) 17_655 17_655
O8 Co3 O9 50.0(17) 20 17_655
O8 Co3 O9 24.4(8) 16_665 17_655
O8 Co3 O9 24.4(8) . 17_655
O9 Co3 O9 43.1(15) 16_665 17_655
O9 Co3 O9 43.1(14) . 17_655
Co3 Co3 C9 180.000(11) 14_557 .
O1 Co3 C9 118.46(19) . .
O1 Co3 C9 118.46(19) 3_666 .
O1 Co3 C9 118.46(19) 17_655 .
O8 Co3 C9 24.9(9) 20 .
O8 Co3 C9 24.9(9) 16_665 .
O8 Co3 C9 24.9(9) . .
O9 Co3 C9 25.1(9) 16_665 .
O9 Co3 C9 25.1(9) . .
O9 Co3 C9 25.1(9) 17_655 .
Co3 O1 Co3 56.9(4) . 14_557
Co3 O1 Co1 118.71(14) . 7_556
Co3 O1 Co1 118.71(14) 14_557 7_556
Co3 O1 Co1 118.71(14) . .
Co3 O1 Co1 118.71(14) 14_557 .
Co1 O1 Co1 113.7(4) 7_556 .
Co2 O2 Co2 95.0(3) . 14_557
Co2 O2 Co1 101.6(2) . .
Co2 O2 Co1 101.6(2) 14_557 .
Co2 O3 Co1 99.7(2) . .
Co2 O3 Co1 99.7(2) . 3_666
Co1 O3 Co1 98.2(3) . 3_666
C5 O4 Co2 126.5(8) . .
C7 O5 C7' 30.2(19) . .
C7 O5 Co1 127.7(16) . .
C7' O5 Co1 135.5(9) . .
O9 O8 O9 121(3) 17_655 .
O9 O8 C9 66.1(14) 17_655 .
O9 O8 C9 66.1(14) . .
O9 O8 O8 30.3(13) 17_655 16_665
O9 O8 O8 90.3(13) . 16_665
C9 O8 O8 44.7(17) . 16_665
O9 O8 O8 90.3(13) 17_655 20
O9 O8 O8 30.3(13) . 20
C9 O8 O8 44.7(17) . 20
O8 O8 O8 60.000(5) 16_665 20
O9 O8 O9 60.3(13) 17_655 16_665
O9 O8 O9 60.3(13) . 16_665
C9 O8 O9 35(2) . 16_665
O8 O8 O9 30.000(5) 16_665 16_665
O8 O8 O9 30.000(9) 20 16_665
O9 O8 Co3 77.8(14) 17_655 .
O9 O8 Co3 77.8(14) . .
C9 O8 Co3 100(3) . .
O8 O8 Co3 68.6(8) 16_665 .
O8 O8 Co3 68.6(8) 20 .
O9 O8 Co3 65.0(10) 16_665 .
O8 O9 O8 119(3) . 20
O8 O9 C9 65.4(14) . .
O8 O9 C9 65.4(14) 20 .
O8 O9 O9 29.7(13) . 17_655
O8 O9 O9 89.7(13) 20 17_655
C9 O9 O9 44.7(16) . 17_655
O8 O9 O9 89.7(13) . 16_665
O8 O9 O9 29.7(13) 20 16_665
C9 O9 O9 44.7(16) . 16_665
O9 O9 O9 60.000(10) 17_655 16_665
O8 O9 O8 59.7(13) . 16_665
O8 O9 O8 59.7(13) 20 16_665
C9 O9 O8 35(2) . 16_665
O9 O9 O8 30.000(7) 17_655 16_665
O9 O9 O8 30.000(5) 16_665 16_665
O8 O9 Co3 77.8(14) . .
O8 O9 Co3 77.8(14) 20 .
C9 O9 Co3 100(3) . .
O9 O9 Co3 68.5(7) 17_655 .
O9 O9 Co3 68.5(7) 16_665 .
O8 O9 Co3 65.0(10) 16_665 .
C2 N1 Co2 122.3(6) . .
C2 C1 C2 112.0(11) . 16_665
N1 C2 C1 113.1(9) . .
N1 C2 C3 112.3(8) . .
C1 C2 C3 109.7(10) . .
C4 C3 C2 110.6(8) . .
N2 C4 C3 110.0(7) . 16_665
N2 C4 C3 110.0(7) . .
C3 C4 C3 110.9(11) 16_665 .
O4 C5 O4 125.8(13) . 14_557
O4 C5 C6 115.3(6) . .
O4 C5 C6 115.3(6) 14_557 .
O4 C5 C6 115.3(6) . 3_666
O4 C5 C6 115.3(6) 14_557 3_666
C6 C5 C6 41(2) . 3_666
C6 C6 C5 69.6(10) 3_666 .
O5 C7 O5 124(3) . 20
O5 C7 C8 116.1(16) . .
O5 C7 C8 116.1(16) 20 .
O5 C7' O5 114.7(19) . 20
O5 C7' C8' 122.6(9) . .
O5 C7' C8' 122.6(9) 20 .
O8 C9 O8 91(3) 20 .
O8 C9 O8 91(3) 20 16_665
O8 C9 O8 91(3) . 16_665
O8 C9 O9 48.5(14) 20 .
O8 C9 O9 48.5(14) . .
O8 C9 O9 110(4) 16_665 .
O8 C9 O9 48.5(14) 20 16_665
O8 C9 O9 110(4) . 16_665
O8 C9 O9 48.5(14) 16_665 16_665
O9 C9 O9 91(3) . 16_665
O8 C9 O9 110(4) 20 17_655
O8 C9 O9 48.5(14) . 17_655
O8 C9 O9 48.5(14) 16_665 17_655
O9 C9 O9 91(3) . 17_655
O9 C9 O9 91(3) 16_665 17_655
O8 C9 C10 125(2) 20 .
O8 C9 C10 125(2) . .
O8 C9 C10 125(2) 16_665 .
O9 C9 C10 125(2) . .
O9 C9 C10 125(2) 16_665 .
O9 C9 C10 125(2) 17_655 .
O8 C9 Co3 55(2) 20 .
O8 C9 Co3 55(2) . .
O8 C9 Co3 55(2) 16_665 .
O9 C9 Co3 55(2) . .
O9 C9 Co3 55(2) 16_665 .
O9 C9 Co3 55(2) 17_655 .
C10 C9 Co3 180.000(11) . .
C11 O11 O11 49.4(9) . 17
O11 C11 O11 81.2(18) 17 .
O12 C12 C12 95.8(17) . 17
C13 O13 C13 156(7) . 14_557
O15 C15 C15 161(6) . 14_557
C17' O17 C17 132(7) . .
O17 C17 O17 152(8) . 17
C18 O18 C18 136(7) . 8_557
O18' C18 O18 147(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.034(5) .
Co1 O5 2.062(6) 14_557
Co1 O5 2.062(6) .
Co1 O2 2.072(6) .
Co1 O3 2.116(4) .
Co1 O3 2.116(4) 14_557
Co2 O4 1.968(7) .
Co2 O2 1.970(4) .
Co2 O2 1.970(4) 3_666
Co2 O3 1.981(6) .
Co2 N1 1.995(7) 16_665
Co2 N1 1.995(7) .
Co2 Co2 2.905(3) 14_557
Co3 Co3 1.863(11) 14_557
Co3 O1 1.955(8) .
Co3 O1 1.955(8) 3_666
Co3 O1 1.955(8) 17_655
Co3 O8 2.08(3) 20
Co3 O8 2.08(3) 16_665
Co3 O8 2.08(3) .
Co3 O9 2.08(3) 16_665
Co3 O9 2.08(3) .
Co3 O9 2.08(3) 17_655
Co3 C9 2.50(3) .
O1 Co3 1.955(8) 14_557
O1 Co1 2.034(5) 7_556
O2 Co2 1.970(4) 14_557
O3 Co1 2.116(4) 3_666
O4 C5 1.269(9) .
O5 C7 1.252(17) .
O5 C7' 1.316(15) .
O8 O9 0.88(3) 17_655
O8 O9 0.88(3) .
O8 C9 1.07(3) .
O8 O8 1.52(6) 16_665
O8 O8 1.52(6) 20
O8 O9 1.76(6) 16_665
O9 O8 0.88(3) 20
O9 C9 1.08(3) .
O9 O9 1.53(6) 17_655
O9 O9 1.53(6) 16_665
O9 O8 1.76(6) 16_665
N1 C2 1.459(13) .
N2 C4 1.484(14) .
C1 C2 1.524(12) .
C1 C2 1.524(12) 16_665
C2 C3 1.537(13) .
C3 C4 1.495(11) .
C4 C3 1.495(11) 16_665
C5 O4 1.269(9) 14_557
C5 C6 1.558(17) .
C5 C6 1.558(17) 3_666
C6 C6 1.09(5) 3_666
C7 O5 1.252(17) 20
C7 C8 1.507(14) .
C7' O5 1.316(15) 20
C7' C8' 1.508(14) .
C9 O8 1.07(3) 20
C9 O8 1.07(3) 16_665
C9 O9 1.08(3) 16_665
C9 O9 1.08(3) 17_655
C9 C10 1.55(7) .
O11 C11 1.32(2) .
O11 O11 1.72(3) 17
O12 C12 1.48(4) .
C11 O11 1.32(2) 17
C12 C12 1.74(8) 17
O13 C13 1.46(2) .
O13 C13 1.46(2) 14_557
O14 C14 1.45(2) .
O15 C15 1.46(2) .
C15 C15 1.90(12) 14_557
O16 C16 1.45(2) .
O17 C17' 1.17(8) .
O17 C17 1.44(2) .
C17 O17 1.44(2) 17
O18 C18 1.44(2) .
O18 C18 1.44(2) 8_557
C18 O18' 0.93(7) .
O19 O19' 0.9(2) .
