#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:16:28 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180032 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/26/7032685.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_7032685
loop_
_publ_author_name
'Tirfoin, Rémi'
'Chamoreau, Lise-Marie'
'Li, Yanling'
'Fleury, Benoit'
'Lisnard, Laurent'
'Journaux, Yves'
_publ_section_title
;
 Synthesis, structure and magnetic properties of phenylhydroxamate-based
 coordination clusters.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16805
_journal_page_last               16817
_journal_paper_doi               10.1039/c4dt02405b
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C48 H82 Co4 N2 O20'
_chemical_formula_sum            'C48 H82 Co4 N2 O20'
_chemical_formula_weight         1242.87
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                114.6430(10)
_cell_angle_beta                 98.6800(10)
_cell_angle_gamma                106.3640(10)
_cell_formula_units_Z            1
_cell_length_a                   10.9832(2)
_cell_length_b                   12.7170(2)
_cell_length_c                   13.1082(3)
_cell_measurement_reflns_used    9993
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2.9
_cell_volume                     1519.21(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'DIAMOND. Crystal Impact GbR, Bonn, Germany'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_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  0.0188
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23018
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.086
_diffrn_reflns_theta_min         2.031
_exptl_absorpt_coefficient_mu    1.141
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
SADABS, Bruker AXS Inc., Madison, 
Wisconsin, USA. or Sheldrick, G. M. (1996)
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepipped
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.536
_refine_diff_density_min         -0.405
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         8871
_refine_ls_number_restraints     155
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0432P)²+0.6473P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.0865
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7250
_reflns_number_total             8871
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4dt02405b1.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7032683--7032686.cif.'
_cod_original_cell_volume        1519.21(5)
_cod_database_code               7032685
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.23427(2) 0.52037(2) 0.56083(2) 0.02425(6) Uani 1 1 d . . . . .
Co2 Co 0.41282(2) 0.35264(2) 0.42716(2) 0.02465(6) Uani 1 1 d . . . . .
N1 N 0.33722(13) 0.54122(13) 0.38266(12) 0.0299(3) Uani 1 1 d . . . . .
H1 H 0.3967 0.5409 0.3357 0.036 Uiso 1 1 d R U . . .
O1 O 0.38338(9) 0.52238(9) 0.47629(9) 0.02317(19) Uani 1 1 d . . . . .
O2 O 0.20123(11) 0.62233(11) 0.47357(11) 0.0323(2) Uani 1 1 d . . . . .
O3 O 0.24360(13) 0.41127(14) 0.63651(12) 0.0419(3) Uani 1 1 d . . . . .
O4 O 0.39596(12) 0.33930(13) 0.57612(12) 0.0400(3) Uani 1 1 d . . . . .
O5 O 0.09814(10) 0.35935(10) 0.40418(10) 0.0309(2) Uani 1 1 d . . . . .
O6 O 0.21676(11) 0.24271(11) 0.34139(12) 0.0385(3) Uani 1 1 d . . . . .
O7 O 0.36893(11) 0.68219(12) 0.71383(10) 0.0373(3) Uani 1 1 d . . . . .
O8 O 0.55657(12) 0.64555(12) 0.72477(10) 0.0366(3) Uani 1 1 d . . . . .
O9 O 0.07859(11) 0.53726(11) 0.63155(10) 0.0322(2) Uani 1 1 d . . . . .
H9A H 0.0367 0.5887 0.6339 0.039 Uiso 1 1 d R U . . .
H9B H 0.0241 0.4676 0.6060 0.039 Uiso 1 1 d R U . . .
O10 O 0.48439(13) 0.20618(11) 0.38986(14) 0.0444(3) Uani 1 1 d D U . . .
H10 H 0.5418 0.2192 0.3528 0.053 Uiso 1 1 d R U . B .
C1 C 0.25125(15) 0.59603(15) 0.38947(15) 0.0304(3) Uani 1 1 d . . . . .
C2 C 0.21363(17) 0.62502(19) 0.29328(18) 0.0405(4) Uani 1 1 d . . . . .
C3 C 0.1737(2) 0.7249(2) 0.3188(3) 0.0577(6) Uani 1 1 d . . . . .
H3 H 0.1706 0.7728 0.3959 0.069 Uiso 1 1 calc R U . . .
C4 C 0.1383(3) 0.7544(3) 0.2307(3) 0.0792(9) Uani 1 1 d . . . . .
H4 H 0.1118 0.8234 0.2481 0.095 Uiso 1 1 calc R U . . .
C5 C 0.1412(3) 0.6844(4) 0.1183(3) 0.0880(11) Uani 1 1 d . . . . .
H5 H 0.1174 0.7054 0.0587 0.106 Uiso 1 1 calc R U . . .
C6 C 0.1786(3) 0.5843(4) 0.0928(3) 0.0837(10) Uani 1 1 d . . . . .
H6 H 0.1797 0.5355 0.0152 0.100 Uiso 1 1 calc R U . . .
C7 C 0.2147(2) 0.5536(3) 0.1798(2) 0.0590(6) Uani 1 1 d . . . . .
H7 H 0.2401 0.4839 0.1616 0.071 Uiso 1 1 calc R U . . .
C8 C 0.30647(15) 0.34189(17) 0.62518(16) 0.0332(3) Uani 1 1 d . . . . .
C9 C 0.2686(2) 0.2488(2) 0.6721(2) 0.0516(5) Uani 1 1 d . U . . .
C10 C 0.3891(3) 0.2275(3) 0.7169(3) 0.0801(9) Uani 1 1 d . U . . .
H10A H 0.3638 0.1703 0.7491 0.120 Uiso 1 1 calc R U . . .
H10B H 0.4579 0.3076 0.7789 0.120 Uiso 1 1 calc R U . . .
H10C H 0.4240 0.1906 0.6518 0.120 Uiso 1 1 calc R U . . .
C11 C 0.2139(3) 0.3005(4) 0.7763(3) 0.0947(12) Uani 1 1 d . U . . .
H11A H 0.1404 0.3231 0.7525 0.142 Uiso 1 1 calc R U . . .
H11B H 0.2852 0.3749 0.8432 0.142 Uiso 1 1 calc R U . . .
H11C H 0.1814 0.2364 0.7995 0.142 Uiso 1 1 calc R U . . .
C12 C 0.1616(5) 0.1329(4) 0.5707(4) 0.162(3) Uani 1 1 d . U . . .
H12A H 0.2001 0.0939 0.5093 0.244 Uiso 1 1 calc R U . . .
H12B H 0.0922 0.1550 0.5384 0.244 Uiso 1 1 calc R U . . .
H12C H 0.1225 0.0741 0.5979 0.244 Uiso 1 1 calc R U . . .
C13 C 0.11029(14) 0.26012(14) 0.33603(14) 0.0281(3) Uani 1 1 d . . . . .
C14 C -0.01538(16) 0.15313(16) 0.23755(16) 0.0390(4) Uani 1 1 d . . . . .
C15 C 0.0072(2) 0.03081(19) 0.1878(2) 0.0676(8) Uani 1 1 d . . . . .
H15A H 0.0289 0.0108 0.2511 0.101 Uiso 1 1 calc R U . . .
H15B H 0.0812 0.0399 0.1545 0.101 Uiso 1 1 calc R U . . .
H15C H -0.0739 -0.0369 0.1259 0.101 Uiso 1 1 calc R U . . .
C17 C -0.0420(3) 0.1900(3) 0.1420(2) 0.0685(7) Uani 1 1 d . . . . .
H17A H 0.0347 0.2008 0.1122 0.103 Uiso 1 1 calc R U . . .
H17B H -0.0560 0.2688 0.1754 0.103 Uiso 1 1 calc R U . . .
H17C H -0.1218 0.1240 0.0772 0.103 Uiso 1 1 calc R U . . .
C16 C -0.1340(2) 0.1375(2) 0.2855(2) 0.0625(7) Uani 1 1 d . . . . .
H16A H -0.2117 0.0647 0.2240 0.094 Uiso 1 1 calc R U . . .
H16B H -0.1546 0.2128 0.3095 0.094 Uiso 1 1 calc R U . . .
H16C H -0.1117 0.1250 0.3537 0.094 Uiso 1 1 calc R U . . .
C18 C 0.47194(15) 0.67892(15) 0.76970(14) 0.0321(3) Uani 1 1 d . . . . .
C19 C 0.4972(2) 0.7242(2) 0.90162(16) 0.0507(5) Uani 1 1 d . U . . .
C20A C 0.3694(12) 0.6952(12) 0.9282(14) 0.088(4) Uani 0.5 1 d . U P A 1
H20A H 0.3191 0.6044 0.8854 0.132 Uiso 0.5 1 calc R U P A 1
H20B H 0.3172 0.7364 0.9036 0.132 Uiso 0.5 1 calc R U P A 1
H20C H 0.3873 0.7257 1.0131 0.132 Uiso 0.5 1 calc R U P A 1
C21A C 0.5723(12) 0.8680(9) 0.9542(6) 0.110(3) Uani 0.5 1 d . U P A 1
H21A H 0.5932 0.9092 1.0403 0.164 Uiso 0.5 1 calc R U P A 1
H21B H 0.5157 0.9013 0.9220 0.164 Uiso 0.5 1 calc R U P A 1
H21C H 0.6552 0.8842 0.9335 0.164 Uiso 0.5 1 calc R U P A 1
C22A C 0.5898(12) 0.6771(14) 0.9434(8) 0.124(4) Uani 0.5 1 d . U P A 1
H22A H 0.6275 0.7270 1.0295 0.186 Uiso 0.5 1 calc R U P A 1
H22B H 0.6618 0.6836 0.9076 0.186 Uiso 0.5 1 calc R U P A 1
H22C H 0.5420 0.5893 0.9212 0.186 Uiso 0.5 1 calc R U P A 1
C20B C 0.3825(14) 0.7496(15) 0.9406(15) 0.120(6) Uani 0.5 1 d . U P A 2
H20D H 0.2989 0.6795 0.8857 0.180 Uiso 0.5 1 calc R U P A 2
H20E H 0.3809 0.8267 0.9418 0.180 Uiso 0.5 1 calc R U P A 2
H20F H 0.3925 0.7591 1.0199 0.180 Uiso 0.5 1 calc R U P A 2
C21B C 0.6209(13) 0.8295(13) 0.9744(7) 0.172(9) Uani 0.5 1 d . U P A 2
H21D H 0.6345 0.8489 1.0569 0.258 Uiso 0.5 1 calc R U P A 2
H21E H 0.6179 0.9022 0.9668 0.258 Uiso 0.5 1 calc R U P A 2
H21F H 0.6946 0.8090 0.9492 0.258 Uiso 0.5 1 calc R U P A 2
C22B C 0.5061(14) 0.6136(9) 0.9231(9) 0.127(5) Uani 0.5 1 d . U P A 2
H22D H 0.5733 0.5863 0.8909 0.191 Uiso 0.5 1 calc R U P A 2
H22E H 0.4192 0.5435 0.8839 0.191 Uiso 0.5 1 calc R U P A 2
H22F H 0.5313 0.6421 1.0080 0.191 Uiso 0.5 1 calc R U P A 2
C23A C 0.4038(4) 0.0772(3) 0.3243(5) 0.0768(13) Uani 0.8 1 d D U P B 1
H23A H 0.3587 0.0567 0.2433 0.092 Uiso 0.8 1 calc R U P B 1
H23B H 0.3342 0.0578 0.3610 0.092 Uiso 0.8 1 calc R U P B 1
C24A C 0.4812(8) -0.0005(6) 0.3187(8) 0.138(3) Uani 0.8 1 d D U P B 1
H24A H 0.5509 0.0189 0.2831 0.207 Uiso 0.8 1 calc R U P B 1
H24B H 0.4222 -0.0892 0.2706 0.207 Uiso 0.8 1 calc R U P B 1
H24C H 0.5226 0.0165 0.3985 0.207 Uiso 0.8 1 calc R U P B 1
C23B C 0.456(2) 0.0919(12) 0.3867(17) 0.079(4) Uani 0.2 1 d D U P B 2
H23C H 0.3700 0.0659 0.4028 0.094 Uiso 0.2 1 calc R U P B 2
H23D H 0.5270 0.0962 0.4462 0.094 Uiso 0.2 1 calc R U P B 2
C24B C 0.447(4) 0.002(2) 0.265(2) 0.125(10) Uani 0.2 1 d D U P B 2
H24D H 0.3904 0.0122 0.2073 0.187 Uiso 0.2 1 calc R U P B 2
H24E H 0.4077 -0.0840 0.2517 0.187 Uiso 0.2 1 calc R U P B 2
H24F H 0.5362 0.0183 0.2564 0.187 Uiso 0.2 1 calc R U P B 2
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'
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
O3 Co1 O9 83.75(5) . .
O3 Co1 O7 91.87(6) . .
O9 Co1 O7 89.87(5) . .
O3 Co1 O1 106.37(5) . .
O9 Co1 O1 169.87(4) . .
O7 Co1 O1 90.35(4) . .
O3 Co1 O5 89.47(5) . .
O9 Co1 O5 90.36(5) . .
O7 Co1 O5 178.66(5) . .
O1 Co1 O5 89.19(4) . .
O3 Co1 O2 173.58(5) . .
O9 Co1 O2 92.05(5) . .
O7 Co1 O2 92.97(5) . .
O1 Co1 O2 77.83(4) . .
O5 Co1 O2 85.71(5) . .
O6 Co2 O4 91.01(5) . .
O6 Co2 O8 91.51(5) . 2_666
O4 Co2 O8 173.50(5) . 2_666
O6 Co2 O1 94.29(4) . .
O4 Co2 O1 97.25(5) . .
O8 Co2 O1 88.53(5) 2_666 .
O6 Co2 O10 97.24(5) . .
O4 Co2 O10 84.85(6) . .
O8 Co2 O10 88.89(5) 2_666 .
O1 Co2 O10 168.24(4) . .
O6 Co2 O1 176.62(4) . 2_666
O4 Co2 O1 88.08(4) . 2_666
O8 Co2 O1 89.75(4) 2_666 2_666
O1 Co2 O1 82.60(4) . 2_666
O10 Co2 O1 85.91(4) . 2_666
C1 N1 O1 118.63(13) . .
C1 N1 H1 124.7 . .
O1 N1 H1 112.5 . .
N1 O1 Co1 105.18(8) . .
N1 O1 Co2 115.07(8) . .
Co1 O1 Co2 108.32(4) . .
N1 O1 Co2 110.19(8) . 2_666
Co1 O1 Co2 121.06(5) . 2_666
Co2 O1 Co2 97.40(4) . 2_666
C1 O2 Co1 108.74(10) . .
C8 O3 Co1 130.04(12) . .
C8 O4 Co2 131.55(11) . .
C13 O5 Co1 131.10(10) . .
C13 O6 Co2 135.43(10) . .
C18 O7 Co1 119.62(11) . .
C18 O8 Co2 124.44(11) . 2_666
Co1 O9 H9A 126.8 . .
Co1 O9 H9B 107.4 . .
H9A O9 H9B 109.2 . .
C23B O10 Co2 141.4(7) . .
C23A O10 Co2 124.90(17) . .
C23B O10 H10 112.3 . .
C23A O10 H10 105.8 . .
Co2 O10 H10 105.0 . .
O2 C1 N1 121.80(15) . .
O2 C1 C2 121.06(15) . .
N1 C1 C2 117.14(15) . .
C3 C2 C7 119.9(2) . .
C3 C2 C1 118.2(2) . .
C7 C2 C1 121.88(18) . .
C2 C3 C4 119.5(3) . .
C2 C3 H3 120.3 . .
C4 C3 H3 120.3 . .
C5 C4 C3 120.5(3) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C6 C5 C4 119.8(2) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C5 C6 C7 120.5(3) . .
C5 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C2 C7 C6 119.8(3) . .
C2 C7 H7 120.1 . .
C6 C7 H7 120.1 . .
O3 C8 O4 125.51(15) . .
O3 C8 C9 117.20(16) . .
O4 C8 C9 117.27(16) . .
C12 C9 C10 113.4(3) . .
C12 C9 C8 105.09(19) . .
C10 C9 C8 110.60(18) . .
C12 C9 C11 109.9(3) . .
C10 C9 C11 107.2(2) . .
C8 C9 C11 110.7(2) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O6 C13 O5 125.13(14) . .
O6 C13 C14 117.27(14) . .
O5 C13 C14 117.59(13) . .
C15 C14 C17 110.4(2) . .
C15 C14 C16 109.51(19) . .
C17 C14 C16 109.75(19) . .
C15 C14 C13 110.24(15) . .
C17 C14 C13 106.76(16) . .
C16 C14 C13 110.10(16) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C17 H17A 109.5 . .
C14 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C14 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O8 C18 O7 124.42(16) . .
O8 C18 C19 117.82(15) . .
O7 C18 C19 117.71(15) . .
C22A C19 C20A 114.9(9) . .
C21B C19 C20B 111.2(10) . .
C21B C19 C18 113.7(4) . .
C22A C19 C18 110.4(4) . .
C20A C19 C18 110.5(7) . .
C20B C19 C18 111.9(7) . .
C22A C19 C21A 107.4(7) . .
C20A C19 C21A 111.3(7) . .
C18 C19 C21A 101.4(4) . .
C21B C19 C22B 106.7(7) . .
C20B C19 C22B 105.6(9) . .
C18 C19 C22B 107.2(4) . .
C19 C20A H20A 109.5 . .
C19 C20A H20B 109.5 . .
H20A C20A H20B 109.5 . .
C19 C20A H20C 109.5 . .
H20A C20A H20C 109.5 . .
H20B C20A H20C 109.5 . .
C19 C21A H21A 109.5 . .
C19 C21A H21B 109.5 . .
H21A C21A H21B 109.5 . .
C19 C21A H21C 109.5 . .
H21A C21A H21C 109.5 . .
H21B C21A H21C 109.5 . .
C19 C22A H22A 109.5 . .
C19 C22A H22B 109.5 . .
H22A C22A H22B 109.5 . .
C19 C22A H22C 109.5 . .
H22A C22A H22C 109.5 . .
H22B C22A H22C 109.5 . .
C19 C20B H20D 109.5 . .
C19 C20B H20E 109.5 . .
H20D C20B H20E 109.5 . .
C19 C20B H20F 109.5 . .
H20D C20B H20F 109.5 . .
H20E C20B H20F 109.5 . .
C19 C21B H21D 109.5 . .
C19 C21B H21E 109.5 . .
H21D C21B H21E 109.5 . .
C19 C21B H21F 109.5 . .
H21D C21B H21F 109.5 . .
H21E C21B H21F 109.5 . .
C19 C22B H22D 109.5 . .
C19 C22B H22E 109.5 . .
H22D C22B H22E 109.5 . .
C19 C22B H22F 109.5 . .
H22D C22B H22F 109.5 . .
H22E C22B H22F 109.5 . .
O10 C23A C24A 112.1(4) . .
O10 C23A H23A 109.2 . .
C24A C23A H23A 109.2 . .
O10 C23A H23B 109.2 . .
C24A C23A H23B 109.2 . .
H23A C23A H23B 107.9 . .
C23A C24A H24A 109.5 . .
C23A C24A H24B 109.5 . .
H24A C24A H24B 109.5 . .
C23A C24A H24C 109.5 . .
H24A C24A H24C 109.5 . .
H24B C24A H24C 109.5 . .
O10 C23B C24B 105.6(16) . .
O10 C23B H23C 110.6 . .
C24B C23B H23C 110.6 . .
O10 C23B H23D 110.6 . .
C24B C23B H23D 110.6 . .
H23C C23B H23D 108.7 . .
C23B C24B H24D 109.5 . .
C23B C24B H24E 109.5 . .
H24D C24B H24E 109.5 . .
C23B C24B H24F 109.5 . .
H24D C24B H24F 109.5 . .
H24E C24B H24F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3 2.0289(12) .
Co1 O9 2.0853(11) .
Co1 O7 2.0959(12) .
Co1 O1 2.1115(10) .
Co1 O5 2.1182(11) .
Co1 O2 2.1209(12) .
Co2 O6 2.0292(11) .
Co2 O4 2.0599(13) .
Co2 O8 2.0776(13) 2_666
Co2 O1 2.1156(10) .
Co2 O10 2.1231(12) .
Co2 O1 2.1449(10) 2_666
N1 C1 1.315(2) .
N1 O1 1.3952(16) .
N1 H1 0.9628 .
O1 Co2 2.1449(10) 2_666
O2 C1 1.268(2) .
O3 C8 1.242(2) .
O4 C8 1.254(2) .
O5 C13 1.2646(19) .
O6 C13 1.2472(18) .
O7 C18 1.273(2) .
O8 C18 1.253(2) .
O8 Co2 2.0775(13) 2_666
O9 H9A 0.8935 .
O9 H9B 0.8052 .
O10 C23B 1.379(12) .
O10 C23A 1.410(3) .
O10 H10 0.8718 .
C1 C2 1.487(2) .
C2 C3 1.386(3) .
C2 C7 1.386(3) .
C3 C4 1.392(3) .
C3 H3 0.9500 .
C4 C5 1.378(5) .
C4 H4 0.9500 .
C5 C6 1.372(5) .
C5 H5 0.9500 .
C6 C7 1.390(3) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C9 1.536(2) .
C9 C12 1.496(4) .
C9 C10 1.508(3) .
C9 C11 1.543(4) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.537(2) .
C14 C15 1.525(3) .
C14 C17 1.526(3) .
C14 C16 1.528(3) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C18 C19 1.528(2) .
C19 C21B 1.438(9) .
C19 C22A 1.463(9) .
C19 C20A 1.480(11) .
C19 C20B 1.496(12) .
C19 C21A 1.558(10) .
C19 C22B 1.570(9) .
C20A H20A 0.9800 .
C20A H20B 0.9800 .
C20A H20C 0.9800 .
C21A H21A 0.9800 .
C21A H21B 0.9800 .
C21A H21C 0.9800 .
C22A H22A 0.9800 .
C22A H22B 0.9800 .
C22A H22C 0.9800 .
C20B H20D 0.9800 .
C20B H20E 0.9800 .
C20B H20F 0.9800 .
C21B H21D 0.9800 .
C21B H21E 0.9800 .
C21B H21F 0.9800 .
C22B H22D 0.9800 .
C22B H22E 0.9800 .
C22B H22F 0.9800 .
C23A C24A 1.462(6) .
C23A H23A 0.9900 .
C23A H23B 0.9900 .
C24A H24A 0.9800 .
C24A H24B 0.9800 .
C24A H24C 0.9800 .
C23B C24B 1.493(17) .
C23B H23C 0.9900 .
C23B H23D 0.9900 .
C24B H24D 0.9800 .
C24B H24E 0.9800 .
C24B H24F 0.9800 .
