#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/21/4342180.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_4342180
loop_
_publ_author_name
'Ding, Ran'
'Huang, Chao'
'Lu, Jingjing'
'Wang, Junning'
'Song, Chuanjun'
'Wu, Jie'
'Hou, Hongwei'
'Fan, Yaoting'
_publ_section_title
;
 Solvent templates induced porous metal-organic materials: conformational
 isomerism and catalytic activity.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1405
_journal_page_last               1413
_journal_paper_doi               10.1021/ic502369y
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C24 H31 Co2 N O15'
_chemical_formula_sum            'C24 H31 Co2 N O15'
_chemical_formula_weight         691.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 104.23(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.7720(16)
_cell_length_b                   18.629(4)
_cell_length_c                   19.518(5)
_cell_measurement_reflns_used    7930
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8485
_cell_measurement_theta_min      2.1864
_cell_volume                     2739.2(11)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  Saturn724
_diffrn_measurement_method       dtprofit.ref
_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  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            24436
_diffrn_reflns_theta_full        27.86
_diffrn_reflns_theta_max         27.86
_diffrn_reflns_theta_min         2.19
_diffrn_standards_number         4228
_exptl_absorpt_coefficient_mu    1.288
_exptl_absorpt_correction_T_max  0.7827
_exptl_absorpt_correction_T_min  0.7389
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2006)'
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.968
_refine_diff_density_min         -2.215
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         6487
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0720
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0811P)²+7.1527P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1932
_refine_ls_wR_factor_ref         0.2003
_reflns_number_gt                5539
_reflns_number_total             6487
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502369y_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4342180--4342182.cif.
;
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P21/c '
_cod_database_code               4342180
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Co1 Co -0.29590(7) 0.56004(3) 0.97052(3) 0.02773(18) Uani 1 1 d .
Co2 Co -0.19801(7) 0.93997(3) 1.03536(3) 0.02882(19) Uani 1 1 d .
O1 O -0.0271(5) 0.91897(18) 1.14029(19) 0.0443(8) Uani 1 1 d D
H1D H 0.0109 0.8761 1.1453 0.066 Uiso 1 1 d RD
H1E H -0.1027 0.9280 1.1642 0.066 Uiso 1 1 d RD
O2 O 0.0119(5) 0.91818(18) 0.9973(2) 0.0528(11) Uani 1 1 d .
O3 O 0.1978(5) 0.95562(15) 0.93553(19) 0.0388(8) Uani 1 1 d .
O4 O -0.2004(4) 0.66555(16) 0.97217(18) 0.0384(8) Uani 1 1 d .
O5 O -0.0847(4) 0.58923(15) 0.91099(17) 0.0318(6) Uani 1 1 d .
O6 O -0.4888(5) 0.58124(19) 0.8779(2) 0.0571(11) Uani 1 1 d D
H6C H -0.5284 0.6226 0.8649 0.086 Uiso 1 1 d RD
H6D H -0.5811 0.5491 0.8558 0.086 Uiso 1 1 d RD
O7 O -0.0802(4) 0.53963(18) 1.06195(18) 0.0401(7) Uani 1 1 d .
O8 O 0.3941(4) 0.72396(15) 0.83797(17) 0.0330(7) Uani 1 1 d .
O9 O 1.0989(4) 0.72352(15) 0.65924(17) 0.0331(7) Uani 1 1 d .
O10 O 1.5676(4) 0.58648(15) 0.57852(18) 0.0359(7) Uani 1 1 d .
O11 O 1.7023(4) 0.66645(16) 0.52881(19) 0.0391(8) Uani 1 1 d .
O12 O 1.5510(5) 0.92585(17) 0.5386(2) 0.0480(10) Uani 1 1 d .
O13 O 1.2847(4) 0.95326(15) 0.55316(18) 0.0327(7) Uani 1 1 d .
O14 O 0.7528(7) 0.5158(3) 0.1821(3) 0.0784(14) Uani 1 1 d DU
H14C H 0.7659 0.5328 0.1413 0.118 Uiso 1 1 d RD
H14D H 0.8565 0.5048 0.2068 0.118 Uiso 1 1 d RD
O15 O 0.8787(8) 0.5398(3) 0.7681(3) 0.0910(16) Uani 1 1 d U
H15 H 0.8449 0.5804 0.7743 0.137 Uiso 1 1 calc R
N1 N -0.3784(7) 0.9618(2) 0.9358(2) 0.0492(10) Uani 1 1 d DU
C1 C -0.2262(12) 0.9666(5) 0.8232(4) 0.091(2) Uani 1 1 d DU
H1A H -0.1755 0.9210 0.8163 0.136 Uiso 1 1 calc R
H1B H -0.1343 1.0023 0.8341 0.136 Uiso 1 1 calc R
H1C H -0.3122 0.9801 0.7808 0.136 Uiso 1 1 calc R
C2 C -0.3146(14) 0.9613(6) 0.8828(5) 0.111(2) Uani 1 1 d DU
C3 C 0.1078(5) 0.9078(2) 0.9556(2) 0.0270(8) Uani 1 1 d .
C4 C 0.1229(5) 0.83295(19) 0.9299(2) 0.0215(7) Uani 1 1 d .
C5 C 0.0113(5) 0.77952(19) 0.94465(19) 0.0214(7) Uani 1 1 d .
H5 H -0.0734 0.7904 0.9694 0.026 Uiso 1 1 calc R
C6 C 0.0286(5) 0.70956(19) 0.92173(19) 0.0203(7) Uani 1 1 d .
C7 C 0.1575(5) 0.6930(2) 0.8857(2) 0.0232(7) Uani 1 1 d .
H7A H 0.1688 0.6463 0.8707 0.028 Uiso 1 1 calc R
C8 C 0.2695(5) 0.7468(2) 0.8721(2) 0.0227(7) Uani 1 1 d .
C9 C 0.2526(5) 0.8168(2) 0.8934(2) 0.0242(7) Uani 1 1 d .
H9 H 0.3263 0.8527 0.8836 0.029 Uiso 1 1 calc R
C10 C -0.0911(5) 0.6517(2) 0.9356(2) 0.0240(7) Uani 1 1 d .
C11 C 0.5121(5) 0.7761(2) 0.8194(2) 0.0312(9) Uani 1 1 d .
H11A H 0.5849 0.7984 0.8616 0.037 Uiso 1 1 calc R
H11B H 0.4451 0.8131 0.7895 0.037 Uiso 1 1 calc R
C12 C 0.6265(5) 0.7352(2) 0.7804(2) 0.0288(8) Uani 1 1 d .
H12A H 0.5500 0.7084 0.7422 0.035 Uiso 1 1 calc R
H12B H 0.6981 0.7009 0.8126 0.035 Uiso 1 1 calc R
C13 C 0.7495(5) 0.7828(3) 0.7497(2) 0.0310(9) Uani 1 1 d .
H13A H 0.8233 0.8117 0.7869 0.037 Uiso 1 1 calc R
H13B H 0.6796 0.8149 0.7145 0.037 Uiso 1 1 calc R
C14 C 0.8664(5) 0.7352(2) 0.7158(2) 0.0271(8) Uani 1 1 d .
H14A H 0.9395 0.7052 0.7522 0.033 Uiso 1 1 calc R
H14B H 0.7906 0.7038 0.6817 0.033 Uiso 1 1 calc R
C15 C 0.9853(6) 0.7763(2) 0.6794(2) 0.0311(9) Uani 1 1 d .
H15A H 0.9156 0.8010 0.6381 0.037 Uiso 1 1 calc R
H15B H 1.0550 0.8114 0.7112 0.037 Uiso 1 1 calc R
C16 C 1.2249(5) 0.7457(2) 0.6252(2) 0.0220(7) Uani 1 1 d .
C17 C 1.2481(5) 0.8161(2) 0.6072(2) 0.0230(7) Uani 1 1 d .
H17 H 1.1765 0.8522 0.6181 0.028 Uiso 1 1 calc R
C18 C 1.3809(5) 0.83266(18) 0.5723(2) 0.0210(7) Uani 1 1 d .
C19 C 1.4894(5) 0.77915(19) 0.5566(2) 0.0219(7) Uani 1 1 d .
H19 H 1.5785 0.7905 0.5342 0.026 Uiso 1 1 calc R
C20 C 1.4639(5) 0.70812(19) 0.57474(19) 0.0213(7) Uani 1 1 d .
C21 C 1.3325(5) 0.69108(19) 0.6091(2) 0.0236(7) Uani 1 1 d .
H21 H 1.3160 0.6438 0.6212 0.028 Uiso 1 1 calc R
C22 C 1.4073(5) 0.9090(2) 0.5527(2) 0.0245(8) Uani 1 1 d .
C23 C 1.5825(5) 0.6505(2) 0.5587(2) 0.0269(8) Uani 1 1 d .
C24 C 0.7350(12) 0.4952(6) 0.7483(4) 0.106(3) Uani 1 1 d U
H24A H 0.7287 0.4646 0.7873 0.159 Uiso 1 1 calc R
H24B H 0.7469 0.4663 0.7090 0.159 Uiso 1 1 calc R
H24C H 0.6286 0.5233 0.7348 0.159 Uiso 1 1 calc 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'
Co Co 0.3494 0.9721 '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'
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
O12 Co1 O13 109.96(13) 4_376 2_646
O12 Co1 O6 97.60(18) 4_376 .
O13 Co1 O6 92.86(14) 2_646 .
O12 Co1 O4 97.60(12) 4_376 .
O13 Co1 O4 151.44(12) 2_646 .
O6 Co1 O4 90.70(15) . .
O12 Co1 O7 86.67(15) 4_376 .
O13 Co1 O7 87.02(13) 2_646 .
O6 Co1 O7 175.48(15) . .
O4 Co1 O7 87.27(14) . .
O12 Co1 O5 156.56(12) 4_376 .
O13 Co1 O5 92.32(11) 2_646 .
O6 Co1 O5 88.16(14) . .
O4 Co1 O5 59.47(10) . .
O7 Co1 O5 87.34(12) . .
O2 Co2 O3 110.83(13) . 3_577
O2 Co2 O11 96.18(12) . 4_376
O3 Co2 O11 152.78(12) 3_577 4_376
O2 Co2 N1 96.56(19) . .
O3 Co2 N1 91.56(16) 3_577 .
O11 Co2 N1 88.56(17) 4_376 .
O2 Co2 O1 87.02(17) . .
O3 Co2 O1 87.17(14) 3_577 .
O11 Co2 O1 91.04(14) 4_376 .
N1 Co2 O1 176.41(16) . .
O2 Co2 O10 155.55(13) . 4_376
O3 Co2 O10 92.89(11) 3_577 4_376
O11 Co2 O10 59.90(11) 4_376 4_376
N1 Co2 O10 88.36(17) . 4_376
O1 Co2 O10 88.35(13) . 4_376
O2 Co2 C23 125.73(13) . 4_376
O3 Co2 C23 123.08(13) 3_577 4_376
O11 Co2 C23 29.71(12) 4_376 4_376
N1 Co2 C23 88.26(17) . 4_376
O1 Co2 C23 89.62(14) . 4_376
O10 Co2 C23 30.19(11) 4_376 4_376
Co2 O1 H1D 113.0 . .
Co2 O1 H1E 97.8 . .
H1D O1 H1E 113.0 . .
C3 O2 Co2 161.9(4) . .
C3 O3 Co2 123.8(3) . 3_577
C10 O4 Co1 94.8(2) . .
C10 O5 Co1 85.7(2) . .
Co1 O6 H6C 124.4 . .
Co1 O6 H6D 125.1 . .
H6C O6 H6D 105.0 . .
C8 O8 C11 118.8(3) . .
C16 O9 C15 119.0(3) . .
C23 O10 Co2 87.1(2) . 4_775
C23 O11 Co2 93.0(2) . 4_775
C22 O12 Co1 151.9(4) . 4_775
C22 O13 Co1 124.0(3) . 2_656
H14C O14 H14D 107.0 . .
C24 O15 H15 109.5 . .
C2 N1 Co2 116.4(6) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 C1 174.2(10) . .
O2 C3 O3 124.3(4) . .
O2 C3 C4 118.1(3) . .
O3 C3 C4 117.5(3) . .
C5 C4 C9 120.8(3) . .
C5 C4 C3 119.5(3) . .
C9 C4 C3 119.7(3) . .
C4 C5 C6 119.1(3) . .
C4 C5 H5 120.4 . .
C6 C5 H5 120.4 . .
C7 C6 C5 120.4(3) . .
C7 C6 C10 119.3(3) . .
C5 C6 C10 120.2(3) . .
C6 C7 C8 119.8(3) . .
C6 C7 H7A 120.1 . .
C8 C7 H7A 120.1 . .
O8 C8 C9 124.7(3) . .
O8 C8 C7 114.7(3) . .
C9 C8 C7 120.6(3) . .
C8 C9 C4 119.2(3) . .
C8 C9 H9 120.4 . .
C4 C9 H9 120.4 . .
O4 C10 O5 119.8(3) . .
O4 C10 C6 119.4(3) . .
O5 C10 C6 120.8(3) . .
O8 C11 C12 106.1(3) . .
O8 C11 H11A 110.5 . .
C12 C11 H11A 110.5 . .
O8 C11 H11B 110.5 . .
C12 C11 H11B 110.5 . .
H11A C11 H11B 108.7 . .
C11 C12 C13 114.1(3) . .
C11 C12 H12A 108.7 . .
C13 C12 H12A 108.7 . .
C11 C12 H12B 108.7 . .
C13 C12 H12B 108.7 . .
H12A C12 H12B 107.6 . .
C12 C13 C14 109.2(4) . .
C12 C13 H13A 109.8 . .
C14 C13 H13A 109.8 . .
C12 C13 H13B 109.8 . .
C14 C13 H13B 109.8 . .
H13A C13 H13B 108.3 . .
C15 C14 C13 114.1(3) . .
C15 C14 H14A 108.7 . .
C13 C14 H14A 108.7 . .
C15 C14 H14B 108.7 . .
C13 C14 H14B 108.7 . .
H14A C14 H14B 107.6 . .
O9 C15 C14 105.7(3) . .
O9 C15 H15A 110.6 . .
C14 C15 H15A 110.6 . .
O9 C15 H15B 110.6 . .
C14 C15 H15B 110.6 . .
H15A C15 H15B 108.7 . .
O9 C16 C17 124.1(3) . .
O9 C16 C21 115.2(3) . .
C17 C16 C21 120.7(3) . .
C16 C17 C18 119.3(3) . .
C16 C17 H17 120.3 . .
C18 C17 H17 120.3 . .
C19 C18 C17 120.5(3) . .
C19 C18 C22 119.8(3) . .
C17 C18 C22 119.7(3) . .
C18 C19 C20 119.6(3) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C21 C20 C19 120.4(3) . .
C21 C20 C23 120.0(3) . .
C19 C20 C23 119.6(3) . .
C20 C21 C16 119.5(3) . .
C20 C21 H21 120.2 . .
C16 C21 H21 120.2 . .
O12 C22 O13 123.5(4) . .
O12 C22 C18 118.6(3) . .
O13 C22 C18 117.8(3) . .
O11 C23 O10 120.0(3) . .
O11 C23 C20 119.6(3) . .
O10 C23 C20 120.2(3) . .
O11 C23 Co2 57.3(2) . 4_775
O10 C23 Co2 62.8(2) . 4_775
C20 C23 Co2 175.6(3) . 4_775
O15 C24 H24A 109.5 . .
O15 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
O15 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O12 2.008(3) 4_376
Co1 O13 2.049(3) 2_646
Co1 O6 2.083(4) .
Co1 O4 2.099(3) .
Co1 O7 2.161(4) .
Co1 O5 2.298(3) .
Co2 O2 1.993(3) .
Co2 O3 2.026(3) 3_577
Co2 O11 2.121(3) 4_376
Co2 N1 2.137(5) .
Co2 O1 2.185(4) .
Co2 O10 2.241(3) 4_376
Co2 C23 2.518(4) 4_376
O1 H1D 0.8496 .
O1 H1E 0.8518 .
O2 C3 1.246(5) .
O3 C3 1.253(5) .
O3 Co2 2.026(3) 3_577
O4 C10 1.263(5) .
O5 C10 1.264(5) .
O6 H6C 0.8444 .
O6 H6D 0.9525 .
O8 C8 1.371(4) .
O8 C11 1.441(5) .
O9 C16 1.375(4) .
O9 C15 1.439(5) .
O10 C23 1.268(5) .
O10 Co2 2.241(3) 4_775
O11 C23 1.249(5) .
O11 Co2 2.121(3) 4_775
O12 C22 1.254(5) .
O12 Co1 2.008(3) 4_775
O13 C22 1.262(5) .
O13 Co1 2.049(3) 2_656
O14 H14C 0.8858 .
O14 H14D 0.8562 .
O15 C24 1.369(10) .
O15 H15 0.8200 .
N1 C2 1.254(9) .
C1 C2 1.492(10) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C3 C4 1.497(5) .
C4 C5 1.395(5) .
C4 C9 1.403(5) .
C5 C6 1.395(5) .
C5 H5 0.9300 .
C6 C7 1.392(5) .
C6 C10 1.492(5) .
C7 C8 1.395(5) .
C7 H7A 0.9300 .
C8 C9 1.385(5) .
C9 H9 0.9300 .
C11 C12 1.510(5) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.530(5) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.531(5) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.506(5) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.382(5) .
C16 C21 1.400(5) .
C17 C18 1.403(5) .
C17 H17 0.9300 .
C18 C19 1.387(5) .
C18 C22 1.500(5) .
C19 C20 1.396(5) .
C19 H19 0.9300 .
C20 C21 1.389(5) .
C20 C23 1.497(5) .
C21 H21 0.9300 .
C23 Co2 2.518(4) 4_775
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
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
O1 H1D O9 0.85 1.97 2.822(4) 178.7 4_476
O6 H6C O8 0.84 2.01 2.856(5) 175.8 1_455
O15 H15 O5 0.82 2.59 2.884(7) 102.5 1_655
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
O3 Co2 O2 C3 -96.7(10) 3_577 .
O11 Co2 O2 C3 86.7(10) 4_376 .
N1 Co2 O2 C3 -2.6(10) . .
O1 Co2 O2 C3 177.4(10) . .
O10 Co2 O2 C3 98.0(10) 4_376 .
C23 Co2 O2 C3 90.0(10) 4_376 .
O12 Co1 O4 C10 172.9(3) 4_376 .
O13 Co1 O4 C10 8.0(5) 2_646 .
O6 Co1 O4 C10 -89.3(3) . .
O7 Co1 O4 C10 86.7(3) . .
O5 Co1 O4 C10 -1.8(2) . .
O12 Co1 O5 C10 -11.2(5) 4_376 .
O13 Co1 O5 C10 -173.5(2) 2_646 .
O6 Co1 O5 C10 93.7(3) . .
O4 Co1 O5 C10 1.8(2) . .
O7 Co1 O5 C10 -86.6(2) . .
O2 Co2 N1 C2 -4.7(7) . .
O3 Co2 N1 C2 106.5(7) 3_577 .
O11 Co2 N1 C2 -100.8(7) 4_376 .
O1 Co2 N1 C2 176(2) . .
O10 Co2 N1 C2 -160.7(7) 4_376 .
C23 Co2 N1 C2 -130.5(7) 4_376 .
Co2 N1 C2 C1 -59(10) . .
Co2 O2 C3 O3 91.5(10) . .
Co2 O2 C3 C4 -91.1(10) . .
Co2 O3 C3 O2 -2.1(7) 3_577 .
Co2 O3 C3 C4 -179.6(3) 3_577 .
O2 C3 C4 C5 9.2(6) . .
O3 C3 C4 C5 -173.2(4) . .
O2 C3 C4 C9 -168.7(4) . .
O3 C3 C4 C9 8.9(6) . .
C9 C4 C5 C6 -0.8(6) . .
C3 C4 C5 C6 -178.7(4) . .
C4 C5 C6 C7 1.1(6) . .
C4 C5 C6 C10 -178.9(3) . .
C5 C6 C7 C8 -0.3(6) . .
C10 C6 C7 C8 179.6(3) . .
C11 O8 C8 C9 -3.0(6) . .
C11 O8 C8 C7 177.9(4) . .
C6 C7 C8 O8 178.4(3) . .
C6 C7 C8 C9 -0.8(6) . .
O8 C8 C9 C4 -178.0(4) . .
C7 C8 C9 C4 1.0(6) . .
C5 C4 C9 C8 -0.2(6) . .
C3 C4 C9 C8 177.7(4) . .
Co1 O4 C10 O5 3.3(4) . .
Co1 O4 C10 C6 -176.8(3) . .
Co1 O5 C10 O4 -3.0(4) . .
Co1 O5 C10 C6 177.1(3) . .
C7 C6 C10 O4 175.5(4) . .
C5 C6 C10 O4 -4.6(6) . .
C7 C6 C10 O5 -4.7(6) . .
C5 C6 C10 O5 175.2(4) . .
C8 O8 C11 C12 -177.7(3) . .
O8 C11 C12 C13 174.3(3) . .
C11 C12 C13 C14 176.4(4) . .
C12 C13 C14 C15 176.2(4) . .
C16 O9 C15 C14 -179.2(3) . .
C13 C14 C15 O9 172.9(3) . .
C15 O9 C16 C17 -1.5(6) . .
C15 O9 C16 C21 178.5(4) . .
O9 C16 C17 C18 -179.8(4) . .
C21 C16 C17 C18 0.1(6) . .
C16 C17 C18 C19 -0.7(6) . .
C16 C17 C18 C22 -179.9(4) . .
C17 C18 C19 C20 1.1(6) . .
C22 C18 C19 C20 -179.8(3) . .
C18 C19 C20 C21 -0.9(6) . .
C18 C19 C20 C23 -179.2(4) . .
C19 C20 C21 C16 0.2(6) . .
C23 C20 C21 C16 178.6(4) . .
O9 C16 C21 C20 -179.9(3) . .
C17 C16 C21 C20 0.1(6) . .
Co1 O12 C22 O13 -90.4(7) 4_775 .
Co1 O12 C22 C18 91.6(7) 4_775 .
Co1 O13 C22 O12 1.1(6) 2_656 .
Co1 O13 C22 C18 179.1(3) 2_656 .
C19 C18 C22 O12 -17.2(6) . .
C17 C18 C22 O12 161.9(4) . .
C19 C18 C22 O13 164.6(4) . .
C17 C18 C22 O13 -16.2(6) . .
Co2 O11 C23 O10 -0.1(5) 4_775 .
Co2 O11 C23 C20 176.3(3) 4_775 .
Co2 O10 C23 O11 0.1(4) 4_775 .
Co2 O10 C23 C20 -176.3(4) 4_775 .
C21 C20 C23 O11 -178.9(4) . .
C19 C20 C23 O11 -0.5(6) . .
C21 C20 C23 O10 -2.5(6) . .
C19 C20 C23 O10 175.9(4) . .
C21 C20 C23 Co2 -134(4) . 4_775
C19 C20 C23 Co2 45(4) . 4_775
