#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:16:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179888 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/84/7018479.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_7018479
loop_
_publ_author_name
'Chen, Qing'
'Xue, Wei'
'Lin, Jian-Bin'
'Lin, Rui-Biao'
'Zeng, Ming-Hua'
'Chen, Xiao-Ming'
_publ_section_title
;
 Highly-connected, porous coordination polymers based on
 [M(4)(μ(3)-OH)(2)] (M = Co(II) and Ni(II)) clusters: different networks,
 adsorption and magnetic properties.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4199
_journal_page_last               4206
_journal_paper_doi               10.1039/c2dt12022d
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C36 H50 Co4 N6 O23'
_chemical_formula_weight         1170.54
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 102.2380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.0975(6)
_cell_length_b                   18.1635(9)
_cell_length_c                   21.5542(10)
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2
_cell_volume                     5011.1(4)
_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      123(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0493
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            22483
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    1.385
_exptl_absorpt_correction_T_max  0.7722
_exptl_absorpt_correction_T_min  0.6695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2400
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_platon_squeeze_details
;
The contribution of any disordered solvent removed by the
SQUEEZE process have be included in the overall formula,
formula weight, density, F(000), etc.
;
_refine_diff_density_max         2.152
_refine_diff_density_min         -0.936
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         9725
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0612P)²+17.5000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1396
_refine_ls_wR_factor_ref         0.1469
_reflns_number_gt                7478
_reflns_number_total             9725
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt12022d.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      P21/n
_cod_database_code               7018479
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 0.97164(5) 0.21664(3) 0.21797(3) 0.01698(14) Uani 1 1 d .
C1 C 1.2951(4) 0.5021(2) 0.2413(2) 0.0231(9) Uani 1 1 d .
N1 N 1.4355(3) 0.61857(19) 0.27415(17) 0.0228(8) Uani 1 1 d .
O11 O 1.1438(2) 0.43892(16) 0.25260(14) 0.0249(7) Uani 1 1 d .
Co3 Co 0.77503(5) 0.29236(3) 0.13423(3) 0.01901(15) Uani 1 1 d .
C2 C 1.3735(4) 0.5147(3) 0.2090(2) 0.0273(10) Uani 1 1 d .
H2A H 1.3807 0.4834 0.1749 0.033 Uiso 1 1 calc R
N2 N 0.8688(5) 0.0122(3) -0.0322(3) 0.0675(17) Uani 1 1 d .
O12 O 1.2194(2) 0.40582(16) 0.17261(14) 0.0238(7) Uani 1 1 d .
Co2 Co 1.00993(4) 0.37753(3) 0.23405(3) 0.01774(14) Uani 1 1 d .
C3 C 1.4421(4) 0.5728(3) 0.2263(2) 0.0286(10) Uani 1 1 d .
H3A H 1.4957 0.5806 0.2034 0.034 Uiso 1 1 calc R
N3 N 0.5738(3) -0.03022(19) 0.24378(17) 0.0212(8) Uani 1 1 d .
O5 O 0.9036(2) 0.22003(16) 0.11822(13) 0.0215(6) Uani 1 1 d .
Co4 Co 1.10941(5) 0.33385(3) 0.11846(3) 0.01939(15) Uani 1 1 d .
C4 C 1.3619(4) 0.6043(3) 0.3071(2) 0.0279(10) Uani 1 1 d .
H4A H 1.3583 0.6350 0.3423 0.033 Uiso 1 1 calc R
N4 N 0.8811(3) 0.6040(2) -0.03411(18) 0.0240(8) Uani 1 1 d .
O6 O 1.0132(3) 0.25871(17) 0.05783(14) 0.0263(7) Uani 1 1 d .
C5 C 1.2913(4) 0.5477(3) 0.2927(2) 0.0294(11) Uani 1 1 d .
H5A H 1.2405 0.5397 0.3175 0.035 Uiso 1 1 calc R
N5 N 0.6838(3) 0.2648(2) 0.04383(17) 0.0258(8) Uani 1 1 d .
O7 O 0.8513(2) 0.15014(17) 0.22988(15) 0.0260(7) Uani 1 1 d .
C6 C 1.2132(3) 0.4434(2) 0.2205(2) 0.0223(9) Uani 1 1 d .
N6 N 0.5389(15) 0.3578(11) 0.2940(10) 0.69(4) Uiso 1 1 d D
O8 O 0.7098(2) 0.20277(16) 0.16899(14) 0.0245(7) Uani 1 1 d .
C7 C 0.9263(4) 0.1433(3) 0.0350(2) 0.0316(11) Uani 1 1 d .
O3 O 0.9870(2) 0.41158(16) 0.13389(13) 0.0212(6) Uani 1 1 d .
C8 C 0.8928(5) 0.0812(3) 0.0643(3) 0.0416(13) Uani 1 1 d .
H8A H 0.8885 0.0829 0.1078 0.050 Uiso 1 1 calc R
O4 O 0.8201(3) 0.38557(17) 0.09134(15) 0.0290(7) Uani 1 1 d .
C9 C 0.8662(6) 0.0176(3) 0.0291(4) 0.0587(18) Uani 1 1 d .
H9A H 0.8450 -0.0242 0.0496 0.070 Uiso 1 1 calc R
O9 O 0.5187(3) 0.27574(16) -0.18463(13) 0.0248(7) Uani 1 1 d .
C10 C 0.9027(6) 0.0715(4) -0.0590(3) 0.0613(19) Uani 1 1 d .
H10A H 0.9052 0.0683 -0.1027 0.074 Uiso 1 1 calc R
O10 O 0.5472(2) 0.15419(17) -0.17036(14) 0.0247(7) Uani 1 1 d .
C11 C 0.9345(5) 0.1375(3) -0.0278(3) 0.0468(15) Uani 1 1 d .
H11A H 0.9607 0.1770 -0.0487 0.056 Uiso 1 1 calc R
O1 O 0.8794(2) 0.31170(15) 0.21646(13) 0.0185(6) Uani 1 1 d .
H1A H 0.8440 0.3122 0.2533 0.022 Uiso 1 1 calc R
C12 C 0.9509(4) 0.2135(2) 0.0728(2) 0.0232(10) Uani 1 1 d .
O2 O 1.0852(2) 0.28712(15) 0.20048(13) 0.0183(6) Uani 1 1 d .
H2B H 1.1535 0.2766 0.2300 0.022 Uiso 1 1 calc R
C13 C 0.6905(4) 0.0896(2) 0.2180(2) 0.0228(9) Uani 1 1 d .
C14 C 0.5870(5) 0.0840(3) 0.1922(4) 0.059(2) Uani 1 1 d .
H14A H 0.5529 0.1215 0.1647 0.070 Uiso 1 1 calc R
O14 O 0.6518(3) 0.35476(18) 0.15747(16) 0.0311(8) Uani 1 1 d .
C15 C 0.5311(4) 0.0236(3) 0.2060(4) 0.059(2) Uani 1 1 d .
H15A H 0.4586 0.0209 0.1874 0.071 Uiso 1 1 calc R
O15 O 0.4537(14) 0.3602(10) 0.3063(9) 0.311(8) Uiso 1 1 d D
C16 C 0.6742(4) -0.0237(3) 0.2679(4) 0.060(2) Uani 1 1 d .
H16A H 0.7070 -0.0616 0.2955 0.072 Uiso 1 1 calc R
O16 O 0.6008(12) 0.4055(8) 0.3118(7) 0.258(6) Uiso 1 1 d D
C17 C 0.7347(5) 0.0338(3) 0.2562(4) 0.067(2) Uani 1 1 d .
H17A H 0.8072 0.0346 0.2748 0.080 Uiso 1 1 calc R
O17 O 0.5499(10) 0.3158(7) 0.2534(6) 0.211(5) Uiso 1 1 d D
C18 C 0.7562(4) 0.1528(2) 0.20457(19) 0.0208(9) Uani 1 1 d .
C19 C 0.8910(4) 0.4911(2) 0.0548(2) 0.0228(9) Uani 1 1 d .
C20 C 0.8048(4) 0.4992(3) 0.0051(2) 0.0334(12) Uani 1 1 d .
H20A H 0.7472 0.4664 0.0007 0.040 Uiso 1 1 calc R
C21 C 0.8043(4) 0.5555(3) -0.0379(2) 0.0343(12) Uani 1 1 d .
H21A H 0.7455 0.5598 -0.0721 0.041 Uiso 1 1 calc R
C22 C 0.9606(4) 0.6000(2) 0.0167(2) 0.0247(10) Uani 1 1 d .
H22A H 1.0136 0.6366 0.0221 0.030 Uiso 1 1 calc R
C24 C 0.9682(4) 0.5443(2) 0.0616(2) 0.0240(10) Uani 1 1 d .
H24A H 1.0260 0.5427 0.0967 0.029 Uiso 1 1 calc R
C25 C 0.8992(3) 0.4239(2) 0.09740(19) 0.0202(9) Uani 1 1 d .
C26 C 0.5912(4) 0.2338(3) -0.0818(2) 0.0250(10) Uani 1 1 d .
C27 C 0.5913(4) 0.3050(3) -0.0578(2) 0.0327(12) Uani 1 1 d .
H27A H 0.5597 0.3441 -0.0844 0.039 Uiso 1 1 calc R
C28 C 0.6372(4) 0.3186(3) 0.0047(2) 0.0313(11) Uani 1 1 d .
H28A H 0.6361 0.3672 0.0207 0.038 Uiso 1 1 calc R
C29 C 0.6773(4) 0.1964(3) 0.0218(2) 0.0282(10) Uani 1 1 d .
H29A H 0.7050 0.1579 0.0502 0.034 Uiso 1 1 calc R
C30 C 0.6320(4) 0.1781(3) -0.0405(2) 0.0278(10) Uani 1 1 d .
H30A H 0.6293 0.1284 -0.0543 0.033 Uiso 1 1 calc R
C31 C 0.5477(3) 0.2198(2) -0.1516(2) 0.0228(9) Uani 1 1 d .
O13 O 1.2338(3) 0.26439(19) 0.11187(18) 0.0363(8) Uani 1 1 d U
C32 C 1.3345(13) 0.2644(8) 0.1354(7) 0.152(5) Uiso 1 1 d U
C33 C 1.4081(16) 0.2647(11) 0.0855(10) 0.209(8) Uiso 1 1 d U
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
O7 Co1 O2 175.77(12) . .
O7 Co1 O9 89.08(13) . 4_666
O2 Co1 O9 94.19(12) . 4_666
O7 Co1 O1 91.78(12) . .
O2 Co1 O1 85.51(11) . .
O9 Co1 O1 90.43(12) 4_666 .
O7 Co1 N1 86.48(14) . 2_745
O2 Co1 N1 96.41(13) . 2_745
O9 Co1 N1 86.16(13) 4_666 2_745
O1 Co1 N1 176.19(13) . 2_745
O7 Co1 O5 88.57(12) . .
O2 Co1 O5 87.79(11) . .
O9 Co1 O5 171.15(12) 4_666 .
O1 Co1 O5 81.12(11) . .
N1 Co1 O5 102.20(13) 2_745 .
O7 Co1 Co2 132.96(10) . .
O2 Co1 Co2 45.49(8) . .
O9 Co1 Co2 78.98(9) 4_666 .
O1 Co1 Co2 43.71(8) . .
N1 Co1 Co2 136.80(10) 2_745 .
O5 Co1 Co2 96.46(8) . .
C2 C1 C5 117.4(4) . .
C2 C1 C6 121.8(4) . .
C5 C1 C6 120.8(4) . .
C4 N1 C3 117.3(4) . .
C4 N1 Co1 125.4(3) . 2_755
C3 N1 Co1 116.6(3) . 2_755
C6 O11 Co2 128.2(3) . .
O1 Co3 O8 94.24(12) . .
O1 Co3 O4 92.60(12) . .
O8 Co3 O4 171.93(13) . .
O1 Co3 O14 96.14(12) . .
O8 Co3 O14 86.61(13) . .
O4 Co3 O14 88.39(13) . .
O1 Co3 N5 171.83(14) . .
O8 Co3 N5 87.21(13) . .
O4 Co3 N5 86.63(14) . .
O14 Co3 N5 91.97(14) . .
O1 Co3 O5 81.10(11) . .
O8 Co3 O5 88.60(12) . .
O4 Co3 O5 96.70(12) . .
O14 Co3 O5 174.29(12) . .
N5 Co3 O5 90.91(13) . .
C1 C2 C3 120.1(4) . .
C1 C2 H2A 119.9 . .
C3 C2 H2A 119.9 . .
C9 N2 C10 116.7(6) . .
C6 O12 Co4 129.6(3) . .
O11 Co2 O1 177.45(12) . .
O11 Co2 O10 86.93(12) . 4_666
O1 Co2 O10 91.87(12) . 4_666
O11 Co2 N3 89.31(13) . 2_655
O1 Co2 N3 92.96(13) . 2_655
O10 Co2 N3 91.11(13) 4_666 2_655
O11 Co2 O2 92.72(12) . .
O1 Co2 O2 85.15(11) . .
O10 Co2 O2 95.42(11) 4_666 .
N3 Co2 O2 173.25(12) 2_655 .
O11 Co2 O3 88.38(12) . .
O1 Co2 O3 92.70(11) . .
O10 Co2 O3 174.51(12) 4_666 .
N3 Co2 O3 91.69(13) 2_655 .
O2 Co2 O3 81.94(11) . .
O11 Co2 Co1 132.49(9) . .
O1 Co2 Co1 45.03(8) . .
O10 Co2 Co1 80.95(9) 4_666 .
N3 Co2 Co1 136.33(10) 2_655 .
O2 Co2 Co1 43.79(8) . .
O3 Co2 Co1 100.20(8) . .
N1 C3 C2 122.4(4) . .
N1 C3 H3A 118.8 . .
C2 C3 H3A 118.8 . .
C16 N3 C15 115.9(4) . .
C16 N3 Co2 120.4(3) . 2_645
C15 N3 Co2 123.7(3) . 2_645
C12 O5 Co1 127.0(3) . .
C12 O5 Co3 133.2(3) . .
Co1 O5 Co3 91.66(11) . .
O2 Co4 O13 94.24(13) . .
O2 Co4 O12 89.52(12) . .
O13 Co4 O12 87.75(13) . .
O2 Co4 O6 94.90(11) . .
O13 Co4 O6 86.51(14) . .
O12 Co4 O6 173.00(12) . .
O2 Co4 N4 171.40(13) . 3_765
O13 Co4 N4 94.22(14) . 3_765
O12 Co4 N4 89.28(13) . 3_765
O6 Co4 N4 87.15(13) . 3_765
O2 Co4 O3 83.40(11) . .
O13 Co4 O3 174.55(13) . .
O12 Co4 O3 87.32(11) . .
O6 Co4 O3 98.57(12) . .
N4 Co4 O3 88.03(12) 3_765 .
N1 C4 C5 123.4(4) . .
N1 C4 H4A 118.3 . .
C5 C4 H4A 118.3 . .
C21 N4 C22 117.4(4) . .
C21 N4 Co4 118.2(3) . 3_765
C22 N4 Co4 122.7(3) . 3_765
C12 O6 Co4 127.1(3) . .
C4 C5 C1 119.3(4) . .
C4 C5 H5A 120.4 . .
C1 C5 H5A 120.4 . .
C29 N5 C28 117.9(4) . .
C29 N5 Co3 122.1(3) . .
C28 N5 Co3 119.8(3) . .
C18 O7 Co1 130.2(3) . .
O12 C6 O11 126.8(4) . .
O12 C6 C1 117.4(4) . .
O11 C6 C1 115.7(4) . .
O16 N6 O17 121.4(18) . .
O16 N6 O15 120.2(17) . .
O17 N6 O15 116.5(17) . .
C18 O8 Co3 127.6(3) . .
C11 C7 C8 118.4(5) . .
C11 C7 C12 122.6(5) . .
C8 C7 C12 119.0(4) . .
C25 O3 Co2 125.1(3) . .
C25 O3 Co4 127.6(3) . .
Co2 O3 Co4 90.88(10) . .
C9 C8 C7 119.2(6) . .
C9 C8 H8A 120.4 . .
C7 C8 H8A 120.4 . .
C25 O4 Co3 136.6(3) . .
N2 C9 C8 123.2(6) . .
N2 C9 H9A 118.4 . .
C8 C9 H9A 118.4 . .
C31 O9 Co1 128.5(3) . 4_565
N2 C10 C11 125.0(6) . .
N2 C10 H10A 117.5 . .
C11 C10 H10A 117.5 . .
C31 O10 Co2 124.1(3) . 4_565
C7 C11 C10 117.4(6) . .
C7 C11 H11A 121.3 . .
C10 C11 H11A 121.3 . .
Co3 O1 Co2 130.01(15) . .
Co3 O1 Co1 98.63(12) . .
Co2 O1 Co1 91.26(12) . .
Co3 O1 H1A 110.8 . .
Co2 O1 H1A 110.8 . .
Co1 O1 H1A 110.8 . .
O6 C12 O5 126.2(4) . .
O6 C12 C7 119.5(4) . .
O5 C12 C7 114.3(4) . .
Co4 O2 Co1 131.84(14) . .
Co4 O2 Co2 98.17(11) . .
Co1 O2 Co2 90.72(12) . .
Co4 O2 H2B 110.4 . .
Co1 O2 H2B 110.4 . .
Co2 O2 H2B 110.4 . .
C14 C13 C17 117.0(5) . .
C14 C13 C18 122.9(4) . .
C17 C13 C18 120.1(4) . .
C13 C14 C15 120.0(5) . .
C13 C14 H14A 120.0 . .
C15 C14 H14A 120.0 . .
N3 C15 C14 123.0(5) . .
N3 C15 H15A 118.5 . .
C14 C15 H15A 118.5 . .
N3 C16 C17 124.5(5) . .
N3 C16 H16A 117.7 . .
C17 C16 H16A 117.7 . .
C13 C17 C16 119.6(5) . .
C13 C17 H17A 120.2 . .
C16 C17 H17A 120.2 . .
O7 C18 O8 127.0(4) . .
O7 C18 C13 116.5(4) . .
O8 C18 C13 116.5(4) . .
C24 C19 C20 117.6(4) . .
C24 C19 C25 122.8(4) . .
C20 C19 C25 119.5(4) . .
C21 C20 C19 118.9(5) . .
C21 C20 H20A 120.5 . .
C19 C20 H20A 120.5 . .
N4 C21 C20 123.8(5) . .
N4 C21 H21A 118.1 . .
C20 C21 H21A 118.1 . .
N4 C22 C24 122.4(4) . .
N4 C22 H22A 118.8 . .
C24 C22 H22A 118.8 . .
C19 C24 C22 119.5(4) . .
C19 C24 H24A 120.3 . .
C22 C24 H24A 120.3 . .
O4 C25 O3 126.7(4) . .
O4 C25 C19 116.1(4) . .
O3 C25 C19 117.2(4) . .
C30 C26 C27 118.1(4) . .
C30 C26 C31 122.1(4) . .
C27 C26 C31 119.8(4) . .
C28 C27 C26 119.7(4) . .
C28 C27 H27A 120.1 . .
C26 C27 H27A 120.1 . .
N5 C28 C27 121.9(4) . .
N5 C28 H28A 119.0 . .
C27 C28 H28A 119.0 . .
N5 C29 C30 123.5(4) . .
N5 C29 H29A 118.3 . .
C30 C29 H29A 118.3 . .
C26 C30 C29 118.5(4) . .
C26 C30 H30A 120.7 . .
C29 C30 H30A 120.7 . .
O9 C31 O10 127.2(4) . .
O9 C31 C26 115.7(4) . .
O10 C31 C26 117.0(4) . .
C32 O13 Co4 135.2(7) . .
O13 C32 C33 116.4(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O7 2.045(3) .
Co1 O2 2.057(3) .
Co1 O9 2.063(3) 4_666
Co1 O1 2.104(3) .
Co1 N1 2.143(4) 2_745
Co1 O5 2.147(3) .
Co1 Co2 2.9728(8) .
C1 C2 1.375(7) .
C1 C5 1.393(6) .
C1 C6 1.512(6) .
N1 C4 1.338(6) .
N1 C3 1.341(6) .
N1 Co1 2.143(4) 2_755
O11 C6 1.256(6) .
O11 Co2 2.044(3) .
Co3 O1 2.026(3) .
Co3 O8 2.052(3) .
Co3 O4 2.074(3) .
Co3 O14 2.117(3) .
Co3 N5 2.119(4) .
Co3 O5 2.220(3) .
C2 C3 1.385(6) .
C2 H2A 0.9500 .
N2 C9 1.333(9) .
N2 C10 1.342(9) .
O12 C6 1.255(5) .
O12 Co4 2.106(3) .
Co2 O1 2.055(3) .
Co2 O10 2.095(3) 4_666
Co2 N3 2.112(4) 2_655
Co2 O2 2.120(3) .
Co2 O3 2.204(3) .
C3 H3A 0.9500 .
N3 C16 1.313(7) .
N3 C15 1.319(6) .
N3 Co2 2.112(4) 2_645
O5 C12 1.271(5) .
Co4 O2 2.045(3) .
Co4 O13 2.089(3) .
Co4 O6 2.112(3) .
Co4 N4 2.166(4) 3_765
Co4 O3 2.214(3) .
C4 C5 1.374(6) .
C4 H4A 0.9500 .
N4 C21 1.328(6) .
N4 C22 1.343(6) .
N4 Co4 2.166(4) 3_765
O6 C12 1.247(5) .
C5 H5A 0.9500 .
N5 C29 1.326(6) .
N5 C28 1.349(6) .
O7 C18 1.250(5) .
N6 O16 1.192(10) .
N6 O17 1.193(10) .
N6 O15 1.202(10) .
O8 C18 1.259(5) .
C7 C11 1.382(7) .
C7 C8 1.408(7) .
C7 C12 1.512(6) .
O3 C25 1.267(5) .
C8 C9 1.386(8) .
C8 H8A 0.9500 .
O4 C25 1.232(5) .
C9 H9A 0.9500 .
O9 C31 1.253(5) .
O9 Co1 2.063(3) 4_565
C10 C11 1.395(8) .
C10 H10A 0.9500 .
O10 C31 1.258(5) .
O10 Co2 2.095(3) 4_565
C11 H11A 0.9500 .
O1 H1A 1.0000 .
O2 H2B 1.0000 .
C13 C14 1.355(7) .
C13 C17 1.356(7) .
C13 C18 1.500(6) .
C14 C15 1.386(8) .
C14 H14A 0.9500 .
C15 H15A 0.9500 .
C16 C17 1.366(8) .
C16 H16A 0.9500 .
C17 H17A 0.9500 .
C19 C24 1.383(6) .
C19 C20 1.391(6) .
C19 C25 1.517(6) .
C20 C21 1.378(7) .
C20 H20A 0.9500 .
C21 H21A 0.9500 .
C22 C24 1.389(6) .
C22 H22A 0.9500 .
C24 H24A 0.9500 .
C26 C30 1.379(6) .
C26 C27 1.394(7) .
C26 C31 1.512(6) .
C27 C28 1.375(7) .
C27 H27A 0.9500 .
C28 H28A 0.9500 .
C29 C30 1.389(6) .
C29 H29A 0.9500 .
C30 H30A 0.9500 .
O13 C32 1.309(16) .
C32 C33 1.59(2) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.026 0.500 775 146 ' '
2 0.500 0.308 1.000 775 147 ' '
