#------------------------------------------------------------------------------
#$Date: 2019-11-07 23:40:33 +0200 (Thu, 07 Nov 2019) $
#$Revision: 224075 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/84/7048402.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_7048402
loop_
_publ_author_name
'Slater-Parry, Mari E'
'Durrant, James P.'
'Howells, Joshua M.'
'Pitak, Mateusz B.'
'Horton, Peter N.'
'Klooster, Wim T.'
'Coles, Simon J.'
'O'Connor, Helen M'
'Brechin, Euan K.'
'Barra, Anne-Laure'
'Jones, Leigh F.'
_publ_section_title
;
 Crowding out: ligand modifications and their structure directing effects
 on brucite-like {Mₓ(μ₃-OH)y} (M =
 Co(ii), Ni(ii)) core growth within polymetallic cages.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1477
_journal_page_last               1488
_journal_paper_doi               10.1039/c8dt04229b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C60 H70 N4 O13 Co4 (N2 O6 H2 O)'
_chemical_formula_sum            'C60 H70 Co4 N6 O19'
_chemical_formula_weight         1414.94
_chemical_name_common            '[Co4]-(6)'
_chemical_properties_physical    Moisture-sensitive
_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-2018/3
_audit_update_record
;
2018-12-12 deposited with the CCDC.
2018-12-20 downloaded from the CCDC.
;
_cell_angle_alpha                92.607(6)
_cell_angle_beta                 104.914(6)
_cell_angle_gamma                103.757(6)
_cell_formula_units_Z            1
_cell_length_a                   9.0455(6)
_cell_length_b                   12.6133(9)
_cell_length_c                   14.4430(10)
_cell_measurement_reflns_used    19357
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.35
_cell_volume                     1536.6(2)
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_molecular_graphics
'ORTEX - P. McArdle, J.Appl.Cryst.,1995,28,65-65.'
_computing_publication_material
'Oscail - P. McArdle, J.Appl.Cryst.,2017,50,320-326.'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution
'SHELXT - G.M.Sheldrick,Acta Crystallogr.A71(2015)3-8.'
_diffrn_ambient_temperature      100.0(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker B4'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_unetI/netI     0.0707
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16789
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         2.349
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.139
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89266
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Parallelepiped
_exptl_crystal_F_000             732
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: MeCN'
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.527
_refine_diff_density_min         -0.461
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         5605
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0454
_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)+(0.0319P)²+1.4152P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0865
_refine_ls_wR_factor_ref         0.0968
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4238
_reflns_number_total             5605
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt04229b2.cif
_cod_data_source_block           lfj-jd1a
_cod_depositor_comments
'Adding full bibliography for 7048397--7048403.cif.'
_cod_original_cell_volume        1536.64(19)
_cod_database_code               7048402
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.463
_shelx_estimated_absorpt_t_max   0.972
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 -0.05996(5) 0.93059(4) -0.19261(3) 0.01898(13) Uani 1 1 d . . . . .
O1 O 0.1048(2) 0.99208(17) -0.05161(14) 0.0207(5) Uani 1 1 d . . . . .
H1 H 0.219142 1.006161 -0.042684 0.025 Uiso 1 1 calc R U . . .
N1 N -0.1594(3) 0.7506(2) 0.07578(19) 0.0209(6) Uani 1 1 d . . . . .
C1 C 0.0010(5) 0.7002(4) -0.3338(3) 0.0478(11) Uani 1 1 d . . . . .
H1B H 0.075862 0.657839 -0.311725 0.072 Uiso 1 1 calc R U . . .
H1C H 0.048926 0.761676 -0.362400 0.072 Uiso 1 1 calc R U . . .
H1D H -0.090395 0.655007 -0.380825 0.072 Uiso 1 1 calc R U . . .
Co2 Co -0.00628(5) 0.88051(3) 0.02436(3) 0.01783(13) Uani 1 1 d . . . . .
O2 O -0.1389(3) 0.81658(17) -0.11282(15) 0.0239(5) Uani 1 1 d . . . . .
N2 N -0.2497(3) 0.8944(2) -0.32363(19) 0.0208(6) Uani 1 1 d . . . . .
C2 C -0.1278(4) 0.6612(3) -0.2085(2) 0.0244(8) Uani 1 1 d . . . . .
H2 H -0.214(4) 0.864(3) -0.365(2) 0.019(9) Uiso 1 1 d . . . . .
H6A H 0.120(4) 0.992(3) -0.307(3) 0.046(13) Uiso 1 1 d . . . . .
O3 O -0.0457(3) 0.7390(2) -0.25392(16) 0.0308(6) Uani 1 1 d . . . . .
N3 N 0.4573(6) 0.9525(5) -0.0790(5) 0.0356(15) Uani 0.5 1 d D . P A -1
C3 C -0.1630(4) 0.5490(3) -0.2306(2) 0.0298(8) Uani 1 1 d . . . . .
H3 H -0.129734 0.519429 -0.279365 0.036 Uiso 1 1 calc R U . . .
O4 O -0.1211(2) 1.06750(17) -0.16236(15) 0.0221(5) Uani 1 1 d . . . . .
N4 N 0.004(2) 1.0182(9) -0.4938(8) 0.038(3) Uani 0.5 1 d D . P B -1
C4 C -0.2481(4) 0.4807(3) -0.1797(3) 0.0335(9) Uani 1 1 d . . . . .
H4 H -0.273856 0.404977 -0.195103 0.040 Uiso 1 1 calc R U . . .
O5 O -0.2045(2) 1.19444(18) -0.04960(15) 0.0239(5) Uani 1 1 d . . . . .
C5 C -0.2954(4) 0.5243(3) -0.1059(2) 0.0284(8) Uani 1 1 d . . . . .
H5 H -0.352510 0.477370 -0.072122 0.034 Uiso 1 1 calc R U . . .
O6 O 0.1227(3) 0.9850(3) -0.2492(2) 0.0404(7) Uani 1 1 d . . . . .
C6 C -0.2586(4) 0.6377(3) -0.0813(2) 0.0220(7) Uani 1 1 d . . . . .
O7 O 0.384(2) 0.9242(16) -0.1621(8) 0.091(6) Uani 0.5 1 d D . P A -1
C7 C -0.1754(4) 0.7066(3) -0.1335(2) 0.0216(7) Uani 1 1 d . . . . .
O8 O 0.5698(6) 0.9135(5) -0.0410(5) 0.0514(16) Uani 0.5 1 d D . P A -1
C8 C -0.3036(4) 0.6888(3) -0.0008(2) 0.0236(8) Uani 1 1 d . . . . .
H8A H -0.367548 0.738404 -0.025652 0.028 Uiso 1 1 calc R U . . .
H8B H -0.366447 0.631930 0.026518 0.028 Uiso 1 1 calc R U . . .
O9 O 0.4300(6) 1.0303(4) -0.0336(4) 0.0349(12) Uani 0.5 1 d D . P A -1
C9 C -0.0785(4) 0.6758(3) 0.1345(2) 0.0224(7) Uani 1 1 d . . . . .
H9A H 0.025390 0.718291 0.172718 0.027 Uiso 1 1 calc R U . . .
H9B H -0.063102 0.620971 0.091203 0.027 Uiso 1 1 calc R U . . .
O10 O -0.0741(8) 0.9214(5) -0.4996(6) 0.0478(17) Uani 0.5 1 d D . P B -1
C10 C -0.1663(4) 0.6178(3) 0.2014(2) 0.0227(7) Uani 1 1 d . . . . .
O11 O -0.0099(8) 1.0727(5) -0.5641(4) 0.0453(15) Uani 0.5 1 d D . P B -1
C11 C -0.2456(4) 0.5072(3) 0.1822(3) 0.0354(9) Uani 1 1 d . . . . .
H11 H -0.246850 0.467337 0.126124 0.042 Uiso 1 1 calc R U . . .
O12 O 0.1008(6) 1.0663(5) -0.4166(4) 0.0554(17) Uani 0.5 1 d D . P B -1
C12 C -0.3235(5) 0.4553(4) 0.2457(4) 0.0523(12) Uani 1 1 d . . . . .
H12 H -0.376550 0.381115 0.232013 0.063 Uiso 1 1 calc R U . . .
C13 C -0.3216(5) 0.5138(5) 0.3284(4) 0.0590(14) Uani 1 1 d . . . . .
H13 H -0.373040 0.479088 0.371202 0.071 Uiso 1 1 calc R U . . .
C14 C -0.2439(5) 0.6238(5) 0.3486(3) 0.0563(13) Uani 1 1 d . . . . .
H14 H -0.243083 0.663290 0.404809 0.068 Uiso 1 1 calc R U . . .
C15 C -0.1669(4) 0.6757(3) 0.2849(3) 0.0345(9) Uani 1 1 d . . . . .
H15 H -0.115177 0.750075 0.298576 0.041 Uiso 1 1 calc R U . . .
C16 C -0.2426(4) 1.2648(3) 0.0156(2) 0.0343(9) Uani 1 1 d . . . . .
H16A H -0.232688 1.336392 -0.006036 0.051 Uiso 1 1 calc R U . . .
H16B H -0.171419 1.270576 0.078743 0.051 Uiso 1 1 calc R U . . .
H16C H -0.349426 1.234981 0.017959 0.051 Uiso 1 1 calc R U . . .
C17 C -0.3072(4) 1.1633(3) -0.1418(2) 0.0201(7) Uani 1 1 d . . . . .
C18 C -0.4450(4) 1.1953(3) -0.1766(2) 0.0261(8) Uani 1 1 d . . . . .
H18 H -0.477209 1.240370 -0.137272 0.031 Uiso 1 1 calc R U . . .
C19 C -0.5352(4) 1.1591(3) -0.2715(2) 0.0279(8) Uani 1 1 d . . . . .
H19 H -0.628606 1.179755 -0.295764 0.034 Uiso 1 1 calc R U . . .
C20 C -0.4864(4) 1.0928(3) -0.3296(2) 0.0275(8) Uani 1 1 d . . . . .
H20 H -0.547974 1.068973 -0.392658 0.033 Uiso 1 1 calc R U . . .
C21 C -0.3462(4) 1.0604(3) -0.2957(2) 0.0240(8) Uani 1 1 d . . . . .
C22 C -0.2570(3) 1.0955(3) -0.2002(2) 0.0203(7) Uani 1 1 d . . . . .
C23 C -0.2850(4) 0.9960(3) -0.3609(2) 0.0254(8) Uani 1 1 d . . . . .
H23A H -0.362992 0.976256 -0.423335 0.030 Uiso 1 1 calc R U . . .
H23B H -0.189234 1.042593 -0.370422 0.030 Uiso 1 1 calc R U . . .
C24 C -0.3938(4) 0.8129(3) -0.3152(2) 0.0248(8) Uani 1 1 d . . . . .
H24A H -0.439088 0.846276 -0.271177 0.030 Uiso 1 1 calc R U . . .
H24B H -0.362408 0.750470 -0.287220 0.030 Uiso 1 1 calc R U . . .
C25 C -0.5202(4) 0.7720(3) -0.4099(2) 0.0227(7) Uani 1 1 d . . . . .
C26 C -0.6625(4) 0.8014(3) -0.4298(2) 0.0270(8) Uani 1 1 d . . . . .
H26 H -0.679891 0.849049 -0.385157 0.032 Uiso 1 1 calc R U . . .
C27 C -0.7789(4) 0.7606(3) -0.5155(2) 0.0266(8) Uani 1 1 d . . . . .
H27 H -0.874070 0.780696 -0.527965 0.032 Uiso 1 1 calc R U . . .
C28 C -0.7538(4) 0.6902(3) -0.5826(2) 0.0306(9) Uani 1 1 d . . . . .
H28 H -0.831686 0.662930 -0.640237 0.037 Uiso 1 1 calc R U . . .
C29 C -0.6124(4) 0.6604(3) -0.5635(2) 0.0311(9) Uani 1 1 d . . . . .
H29 H -0.595254 0.612971 -0.608457 0.037 Uiso 1 1 calc R U . . .
C30 C -0.4960(4) 0.7010(3) -0.4778(2) 0.0279(8) Uani 1 1 d . . . . .
H30 H -0.401070 0.680578 -0.465480 0.033 Uiso 1 1 calc R U . . .
H1A H -0.188(4) 0.787(3) 0.111(2) 0.018(9) Uiso 1 1 d . . . . .
O7A O 0.6150(11) 1.0803(10) 0.1634(5) 0.022(3) Uani 0.5 1 d . . P C -1
H6B H 0.204(6) 0.962(4) -0.223(4) 0.084(19) Uiso 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'
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
O4 Co1 O2 108.99(9) . .
O4 Co1 O6 103.26(11) . .
O2 Co1 O6 141.51(12) . .
O4 Co1 N2 89.22(10) . .
O2 Co1 N2 102.12(9) . .
O6 Co1 N2 98.71(11) . .
O4 Co1 O1 78.80(8) . .
O2 Co1 O1 78.93(8) . .
O6 Co1 O1 87.45(10) . .
N2 Co1 O1 167.54(10) . .
Co2 O1 Co2 97.39(9) . 2_575
Co2 O1 Co1 96.78(8) . .
Co2 O1 Co1 95.95(8) 2_575 .
Co2 O1 H1 120.4 . .
Co2 O1 H1 120.4 2_575 .
Co1 O1 H1 120.4 . .
C9 N1 C8 112.2(3) . .
C9 N1 Co2 115.50(19) . .
C8 N1 Co2 113.6(2) . .
C9 N1 H1A 108(2) . .
C8 N1 H1A 107(2) . .
Co2 N1 H1A 100(2) . .
O3 C1 H1B 109.5 . .
O3 C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O3 C1 H1D 109.5 . .
H1B C1 H1D 109.5 . .
H1C C1 H1D 109.5 . .
O4 Co2 O2 175.88(9) 2_575 .
O4 Co2 O1 103.01(9) 2_575 .
O2 Co2 O1 80.59(8) . .
O4 Co2 O1 80.49(8) 2_575 2_575
O2 Co2 O1 102.09(8) . 2_575
O1 Co2 O1 82.61(9) . 2_575
O4 Co2 N1 88.80(9) 2_575 .
O2 Co2 N1 87.66(9) . .
O1 Co2 N1 168.10(9) . .
O1 Co2 N1 98.14(10) 2_575 .
O4 Co2 O5 74.18(8) 2_575 2_575
O2 Co2 O5 104.14(8) . 2_575
O1 Co2 O5 88.21(8) . 2_575
O1 Co2 O5 150.33(8) 2_575 2_575
N1 Co2 O5 96.54(10) . 2_575
C7 O2 Co1 127.38(19) . .
C7 O2 Co2 116.96(18) . .
Co1 O2 Co2 102.85(9) . .
C23 N2 C24 112.6(3) . .
C23 N2 Co1 111.64(18) . .
C24 N2 Co1 112.93(19) . .
C23 N2 H2 107(2) . .
C24 N2 H2 107(2) . .
Co1 N2 H2 105(2) . .
C3 C2 O3 125.8(3) . .
C3 C2 C7 120.6(3) . .
O3 C2 C7 113.6(3) . .
C2 O3 C1 117.3(3) . .
O7 N3 O8 120.4(12) . .
O7 N3 O9 119.2(11) . .
O8 N3 O9 120.0(6) . .
C2 C3 C4 119.5(3) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C22 O4 Co1 129.15(18) . .
C22 O4 Co2 121.08(18) . 2_575
Co1 O4 Co2 103.85(9) . 2_575
O10 N4 O12 121.4(9) . .
O10 N4 O11 122.1(9) . .
O12 N4 O11 116.5(8) . .
C3 C4 C5 120.4(3) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C17 O5 C16 118.3(2) . .
C17 O5 Co2 112.78(18) . 2_575
C16 O5 Co2 128.87(18) . 2_575
C4 C5 C6 121.0(3) . .
C4 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
Co1 O6 H6A 128(3) . .
Co1 O6 H6B 113(3) . .
H6A O6 H6B 108(4) . .
C7 C6 C5 118.7(3) . .
C7 C6 C8 118.3(3) . .
C5 C6 C8 123.1(3) . .
O2 C7 C6 120.6(3) . .
O2 C7 C2 119.6(3) . .
C6 C7 C2 119.8(3) . .
N1 C8 C6 110.6(3) . .
N1 C8 H8A 109.5 . .
C6 C8 H8A 109.5 . .
N1 C8 H8B 109.5 . .
C6 C8 H8B 109.5 . .
H8A C8 H8B 108.1 . .
N1 C9 C10 114.6(3) . .
N1 C9 H9A 108.6 . .
C10 C9 H9A 108.6 . .
N1 C9 H9B 108.6 . .
C10 C9 H9B 108.6 . .
H9A C9 H9B 107.6 . .
C15 C10 C11 118.6(3) . .
C15 C10 C9 119.4(3) . .
C11 C10 C9 122.0(3) . .
C10 C11 C12 120.9(4) . .
C10 C11 H11 119.6 . .
C12 C11 H11 119.6 . .
C13 C12 C11 119.7(4) . .
C13 C12 H12 120.2 . .
C11 C12 H12 120.2 . .
C12 C13 C14 120.3(4) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
C13 C14 C15 119.9(4) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C10 C15 C14 120.6(4) . .
C10 C15 H15 119.7 . .
C14 C15 H15 119.7 . .
O5 C16 H16A 109.5 . .
O5 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
O5 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 O5 125.3(3) . .
C18 C17 C22 121.1(3) . .
O5 C17 C22 113.5(3) . .
C17 C18 C19 119.0(3) . .
C17 C18 H18 120.5 . .
C19 C18 H18 120.5 . .
C20 C19 C18 120.2(3) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C19 C20 C21 121.5(3) . .
C19 C20 H20 119.3 . .
C21 C20 H20 119.3 . .
C22 C21 C20 118.3(3) . .
C22 C21 C23 119.8(3) . .
C20 C21 C23 121.8(3) . .
O4 C22 C21 121.7(3) . .
O4 C22 C17 118.4(3) . .
C21 C22 C17 119.8(3) . .
N2 C23 C21 113.9(3) . .
N2 C23 H23A 108.8 . .
C21 C23 H23A 108.8 . .
N2 C23 H23B 108.8 . .
C21 C23 H23B 108.8 . .
H23A C23 H23B 107.7 . .
N2 C24 C25 114.3(3) . .
N2 C24 H24A 108.7 . .
C25 C24 H24A 108.7 . .
N2 C24 H24B 108.7 . .
C25 C24 H24B 108.7 . .
H24A C24 H24B 107.6 . .
C26 C25 C30 118.8(3) . .
C26 C25 C24 121.4(3) . .
C30 C25 C24 119.7(3) . .
C27 C26 C25 120.8(3) . .
C27 C26 H26 119.6 . .
C25 C26 H26 119.6 . .
C28 C27 C26 120.0(3) . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C27 C28 C29 119.7(3) . .
C27 C28 H28 120.2 . .
C29 C28 H28 120.2 . .
C28 C29 C30 120.4(3) . .
C28 C29 H29 119.8 . .
C30 C29 H29 119.8 . .
C29 C30 C25 120.3(3) . .
C29 C30 H30 119.8 . .
C25 C30 H30 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O4 1.997(2) .
Co1 O2 1.998(2) .
Co1 O6 2.019(3) .
Co1 N2 2.148(3) .
Co1 O1 2.171(2) .
O1 Co2 2.056(2) .
O1 Co2 2.082(2) 2_575
O1 H1 0.9800 .
N1 C9 1.492(4) .
N1 C8 1.493(4) .
N1 Co2 2.172(3) .
N1 H1A 0.80(3) .
C1 O3 1.431(4) .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C1 H1D 0.9600 .
Co2 O4 2.017(2) 2_575
Co2 O2 2.046(2) .
Co2 O5 2.279(2) 2_575
O2 C7 1.348(4) .
N2 C23 1.484(4) .
N2 C24 1.492(4) .
N2 H2 0.87(3) .
C2 C3 1.377(5) .
C2 O3 1.381(4) .
C2 C7 1.411(4) .
N3 O7 1.202(9) .
N3 O8 1.247(6) .
N3 O9 1.262(6) .
C3 C4 1.382(5) .
C3 H3 0.9300 .
O4 C22 1.347(4) .
N4 O10 1.245(9) .
N4 O12 1.248(9) .
N4 O11 1.249(9) .
C4 C5 1.384(5) .
C4 H4 0.9300 .
O5 C17 1.390(4) .
O5 C16 1.425(4) .
C5 C6 1.397(5) .
C5 H5 0.9300 .
O6 H6A 0.83(4) .
O6 H6B 0.86(5) .
C6 C7 1.389(5) .
C6 C8 1.493(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.510(4) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C15 1.384(5) .
C10 C11 1.386(5) .
C11 C12 1.391(5) .
C11 H11 0.9300 .
C12 C13 1.370(6) .
C12 H12 0.9300 .
C13 C14 1.378(7) .
C13 H13 0.9300 .
C14 C15 1.388(6) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.380(4) .
C17 C22 1.402(4) .
C18 C19 1.395(5) .
C18 H18 0.9300 .
C19 C20 1.378(5) .
C19 H19 0.9300 .
C20 C21 1.399(4) .
C20 H20 0.9300 .
C21 C22 1.396(4) .
C21 C23 1.507(5) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.515(4) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.386(4) .
C25 C30 1.391(4) .
C26 C27 1.386(4) .
C26 H26 0.9300 .
C27 C28 1.382(5) .
C27 H27 0.9300 .
C28 C29 1.382(5) .
C28 H28 0.9300 .
C29 C30 1.385(4) .
C29 H29 0.9300 .
C30 H30 0.9300 .
