#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:39:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180048 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/42/7034290.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_7034290
loop_
_publ_author_name
'Wang, Ting'
'Zhang, Chuanlei'
'Ju, Zemin'
'Zheng, Hegen'
_publ_section_title
;
 Solvent-induced synthesis of cobalt(ii) coordination polymers based on a
 rigid ligand and flexible carboxylic acid ligands: syntheses, structures
 and magnetic properties.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6926
_journal_page_last               6935
_journal_paper_doi               10.1039/c5dt00578g
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C32 H23 Co N5 O6'
_chemical_formula_weight         632.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-03-03 deposited with the CCDC.
2015-03-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 108.630(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.639(7)
_cell_length_b                   22.322(7)
_cell_length_c                   14.117(5)
_cell_measurement_reflns_used    2498
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.81
_cell_measurement_theta_min      2.23
_cell_volume                     6760(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      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0794
_diffrn_reflns_av_unetI/netI     0.0917
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18253
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    0.554
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.362
_refine_diff_density_min         -0.410
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         5883
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1168
_refine_ls_R_factor_gt           0.0839
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1407P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2215
_refine_ls_wR_factor_ref         0.2424
_reflns_number_gt                3769
_reflns_number_total             5883
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00578g2.cif
_cod_data_source_block           4
_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/RSC/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 3086 2015-02-26 13:12:21Z robertas 

 Adding full bibliography for 7034287--7034291.cif.
;
_cod_original_sg_symbol_H-M      'C2/c   '
_cod_database_code               7034290
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
C1 C 0.2259(3) 0.3138(3) 0.2842(5) 0.0438(15) Uani 1 1 d .
C2 C 0.1910(2) 0.3023(2) 0.3575(4) 0.0380(13) Uani 1 1 d .
C3 C 0.2171(2) 0.3141(2) 0.4571(4) 0.0368(13) Uani 1 1 d .
H3 H 0.2553 0.3338 0.4791 0.044 Uiso 1 1 calc R
C4 C 0.1883(2) 0.2975(2) 0.5263(4) 0.0372(12) Uani 1 1 d .
H4 H 0.2061 0.3073 0.5935 0.045 Uiso 1 1 calc R
C5 C 0.1320(2) 0.2658(2) 0.4934(4) 0.0377(13) Uani 1 1 d .
C6 C 0.1037(3) 0.2557(3) 0.3908(4) 0.0414(13) Uani 1 1 d .
H6 H 0.0652 0.2365 0.3678 0.050 Uiso 1 1 calc R
C7 C 0.1333(3) 0.2745(2) 0.3242(4) 0.0400(13) Uani 1 1 d .
H7 H 0.1142 0.2683 0.2561 0.048 Uiso 1 1 calc R
C8 C -0.1403(3) 0.2232(3) 0.5712(5) 0.0478(15) Uani 1 1 d .
C9 C -0.0764(3) 0.2245(3) 0.5613(5) 0.0475(15) Uani 1 1 d .
C10 C -0.0628(3) 0.2620(3) 0.4914(4) 0.0424(13) Uani 1 1 d .
H10 H -0.0948 0.2831 0.4457 0.051 Uiso 1 1 calc R
C11 C -0.0026(2) 0.2679(2) 0.4897(4) 0.0353(12) Uani 1 1 d .
H11 H 0.0060 0.2933 0.4435 0.042 Uiso 1 1 calc R
C12 C 0.0457(3) 0.2356(3) 0.5576(5) 0.0472(15) Uani 1 1 d .
C13 C 0.0312(3) 0.1951(4) 0.6226(6) 0.074(2) Uani 1 1 d .
H13 H 0.0623 0.1716 0.6654 0.089 Uiso 1 1 calc R
C14 C -0.0296(3) 0.1903(4) 0.6226(6) 0.068(2) Uani 1 1 d .
H14 H -0.0389 0.1630 0.6655 0.082 Uiso 1 1 calc R
C15 C 0.3165(3) 0.1639(3) 0.2100(4) 0.0401(13) Uani 1 1 d .
H15 H 0.3554 0.1726 0.2043 0.048 Uiso 1 1 calc R
C16 C 0.2202(3) 0.1705(3) 0.2029(5) 0.0518(16) Uani 1 1 d .
H16 H 0.1801 0.1855 0.1910 0.062 Uiso 1 1 calc R
C17 C 0.2400(2) 0.1166(3) 0.2427(4) 0.0448(14) Uani 1 1 d .
H17 H 0.2169 0.0878 0.2630 0.054 Uiso 1 1 calc R
C18 C 0.3422(2) 0.0610(2) 0.2797(4) 0.0328(11) Uani 1 1 d .
C19 C 0.3155(3) 0.0040(2) 0.2676(4) 0.0404(13) Uani 1 1 d .
H19 H 0.2724 -0.0002 0.2434 0.049 Uiso 1 1 calc R
C20 C 0.3527(2) -0.0461(2) 0.2911(4) 0.0383(12) Uani 1 1 d .
H20 H 0.3355 -0.0844 0.2830 0.046 Uiso 1 1 calc R
C21 C 0.4162(2) -0.0378(2) 0.3272(4) 0.0359(12) Uani 1 1 d .
C22 C 0.4443(2) 0.0189(2) 0.3424(3) 0.0293(11) Uani 1 1 d .
C23 C 0.4067(2) 0.0695(2) 0.3178(4) 0.0301(11) Uani 1 1 d .
H23 H 0.4238 0.1077 0.3265 0.036 Uiso 1 1 calc R
C24 C 0.5177(2) -0.0535(2) 0.3862(4) 0.0348(12) Uani 1 1 d .
C25 C 0.5103(2) 0.0083(2) 0.3808(4) 0.0292(11) Uani 1 1 d .
C26 C 0.5633(2) 0.0440(2) 0.4105(4) 0.0327(11) Uani 1 1 d .
H26 H 0.5598 0.0856 0.4072 0.039 Uiso 1 1 calc R
C27 C 0.6212(2) 0.0170(2) 0.4450(4) 0.0345(12) Uani 1 1 d .
C28 C 0.6267(2) -0.0449(2) 0.4490(4) 0.0346(12) Uani 1 1 d .
H28 H 0.6661 -0.0620 0.4723 0.042 Uiso 1 1 calc R
C29 C 0.5753(2) -0.0813(2) 0.4195(4) 0.0397(13) Uani 1 1 d .
H29 H 0.5790 -0.1228 0.4217 0.048 Uiso 1 1 calc R
C30 C 0.6789(2) 0.1081(3) 0.5170(4) 0.0415(13) Uani 1 1 d .
H30 H 0.6447 0.1288 0.5234 0.050 Uiso 1 1 calc R
C31 C 0.7361(3) 0.0382(3) 0.4799(4) 0.0458(14) Uani 1 1 d .
H31 H 0.7493 0.0031 0.4577 0.055 Uiso 1 1 calc R
C32 C 0.7708(3) 0.0856(3) 0.5200(5) 0.0540(16) Uani 1 1 d .
H32 H 0.8133 0.0883 0.5301 0.065 Uiso 1 1 calc R
Co1 Co 0.25561(3) 0.28547(4) 0.11317(6) 0.0403(3) Uani 1 1 d .
N1 N 0.2683(2) 0.2003(2) 0.1826(4) 0.0494(13) Uani 1 1 d .
N2 N 0.30236(19) 0.11251(19) 0.2472(3) 0.0359(10) Uani 1 1 d .
N3 N 0.7363(2) 0.1302(2) 0.5449(3) 0.0425(11) Uani 1 1 d .
N4 N 0.67548(19) 0.05227(18) 0.4782(3) 0.0347(10) Uani 1 1 d .
N5 N 0.1081(2) 0.2437(2) 0.5654(4) 0.0506(13) Uani 1 1 d .
H5A H 0.1307 0.2286 0.6116 0.026(15) Uiso 1 1 d R
O1 O 0.2820(2) 0.3268(2) 0.3161(4) 0.0634(13) Uani 1 1 d .
O2 O 0.1957(2) 0.3048(2) 0.1910(3) 0.0588(12) Uani 1 1 d .
O3 O -0.14934(19) 0.1955(2) 0.6424(3) 0.0633(13) Uani 1 1 d .
O4 O -0.18507(18) 0.2500(2) 0.5090(3) 0.0547(11) Uani 1 1 d .
O6 O 0.45989(17) -0.08231(14) 0.3536(3) 0.0402(9) Uani 1 1 d .
O1W O 0.8238(4) 0.9362(4) 0.3887(12) 0.245(7) Uani 1 1 d D
H1WA H 0.8518 0.9365 0.3572 0.368 Uiso 1 1 d RD
H1WB H 0.8435 0.9293 0.4525 0.368 Uiso 1 1 d RD
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
O1 C1 O2 123.7(5) . .
O1 C1 C2 119.3(6) . .
O2 C1 C2 116.8(5) . .
C3 C2 C7 119.2(5) . .
C3 C2 C1 121.5(5) . .
C7 C2 C1 119.1(5) . .
C2 C3 C4 121.8(5) . .
C2 C3 H3 119.1 . .
C4 C3 H3 119.1 . .
C3 C4 C5 118.9(5) . .
C3 C4 H4 120.5 . .
C5 C4 H4 120.5 . .
N5 C5 C6 122.9(5) . .
N5 C5 C4 117.6(5) . .
C6 C5 C4 119.5(5) . .
C7 C6 C5 119.5(5) . .
C7 C6 H6 120.3 . .
C5 C6 H6 120.3 . .
C6 C7 C2 121.0(6) . .
C6 C7 H7 119.5 . .
C2 C7 H7 119.5 . .
O3 C8 O4 119.4(5) . .
O3 C8 C9 119.7(6) . .
O4 C8 C9 120.9(6) . .
C14 C9 C10 118.7(5) . .
C14 C9 C8 120.5(6) . .
C10 C9 C8 120.8(6) . .
C11 C10 C9 120.6(5) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C10 C11 C12 119.9(5) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
N5 C12 C13 118.4(6) . .
N5 C12 C11 122.5(5) . .
C13 C12 C11 119.1(5) . .
C14 C13 C12 119.6(7) . .
C14 C13 H13 120.2 . .
C12 C13 H13 120.2 . .
C9 C14 C13 121.8(6) . .
C9 C14 H14 119.1 . .
C13 C14 H14 119.1 . .
N1 C15 N2 111.3(5) . .
N1 C15 H15 124.4 . .
N2 C15 H15 124.4 . .
C17 C16 N1 109.7(5) . .
C17 C16 H16 125.1 . .
N1 C16 H16 125.1 . .
C16 C17 N2 106.0(5) . .
C16 C17 H17 127.0 . .
N2 C17 H17 127.0 . .
C19 C18 C23 121.9(5) . .
C19 C18 N2 119.1(4) . .
C23 C18 N2 119.0(4) . .
C20 C19 C18 120.3(5) . .
C20 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C19 C20 C21 117.8(5) . .
C19 C20 H20 121.1 . .
C21 C20 H20 121.1 . .
O6 C21 C20 125.6(5) . .
O6 C21 C22 111.2(4) . .
C20 C21 C22 123.2(5) . .
C23 C22 C21 118.9(5) . .
C23 C22 C25 135.2(5) . .
C21 C22 C25 105.9(4) . .
C22 C23 C18 117.9(5) . .
C22 C23 H23 121.1 . .
C18 C23 H23 121.1 . .
C29 C24 C25 123.2(5) . .
C29 C24 O6 126.0(4) . .
C25 C24 O6 110.8(4) . .
C24 C25 C26 118.5(5) . .
C24 C25 C22 106.1(4) . .
C26 C25 C22 135.4(4) . .
C27 C26 C25 119.0(5) . .
C27 C26 H26 120.5 . .
C25 C26 H26 120.5 . .
C26 C27 C28 120.7(5) . .
C26 C27 N4 120.1(5) . .
C28 C27 N4 119.2(4) . .
C29 C28 C27 121.5(5) . .
C29 C28 H28 119.2 . .
C27 C28 H28 119.2 . .
C28 C29 C24 117.0(4) . .
C28 C29 H29 121.5 . .
C24 C29 H29 121.5 . .
N3 C30 N4 112.7(5) . .
N3 C30 H30 123.7 . .
N4 C30 H30 123.7 . .
C32 C31 N4 105.7(5) . .
C32 C31 H31 127.1 . .
N4 C31 H31 127.1 . .
C31 C32 N3 112.2(5) . .
C31 C32 H32 123.9 . .
N3 C32 H32 123.9 . .
O2 Co1 O4 93.46(19) . 2
O2 Co1 N3 88.89(17) . 8_455
O4 Co1 N3 88.21(18) 2 8_455
O2 Co1 O3 131.7(2) . 8
O4 Co1 O3 134.53(16) 2 8
N3 Co1 O3 87.62(18) 8_455 8
O2 Co1 N1 87.48(17) . .
O4 Co1 N1 89.81(19) 2 .
N3 Co1 N1 175.76(17) 8_455 .
O3 Co1 N1 96.43(19) 8 .
C15 N1 C16 106.0(5) . .
C15 N1 Co1 131.9(4) . .
C16 N1 Co1 122.0(4) . .
C15 N2 C17 106.9(5) . .
C15 N2 C18 127.0(4) . .
C17 N2 C18 126.0(4) . .
C30 N3 C32 103.7(5) . .
C30 N3 Co1 120.7(4) . 8_556
C32 N3 Co1 135.6(4) . 8_556
C30 N4 C31 105.7(4) . .
C30 N4 C27 125.5(4) . .
C31 N4 C27 128.8(5) . .
C5 N5 C12 127.7(5) . .
C5 N5 H5A 118.1 . .
C12 N5 H5A 113.2 . .
C1 O2 Co1 110.8(3) . .
C8 O3 Co1 99.4(4) . 8_456
C8 O4 Co1 169.9(4) . 2
C21 O6 C24 106.0(4) . .
H1WB O1W H1WA 107.9 . .
H1WB O1W H1WA 107.9 . .
H1WA O1W H1WA 0.0 . .
H1WB O1W H1WB 0.0 . .
H1WA O1W H1WB 107.9 . .
H1WA O1W H1WB 107.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.240(7) .
C1 O2 1.290(8) .
C1 C2 1.512(7) .
C2 C3 1.365(8) .
C2 C7 1.385(8) .
C3 C4 1.387(7) .
C3 H3 0.9300 .
C4 C5 1.401(8) .
C4 H4 0.9300 .
C5 N5 1.386(7) .
C5 C6 1.401(8) .
C6 C7 1.383(7) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O3 1.252(8) .
C8 O4 1.260(7) .
C8 C9 1.497(7) .
C9 C14 1.367(9) .
C9 C10 1.401(8) .
C10 C11 1.378(7) .
C10 H10 0.9300 .
C11 C12 1.402(8) .
C11 H11 0.9300 .
C12 N5 1.393(7) .
C12 C13 1.400(9) .
C13 C14 1.379(9) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 N1 1.317(7) .
C15 N2 1.342(7) .
C15 H15 0.9300 .
C16 C17 1.343(9) .
C16 N1 1.382(7) .
C16 H16 0.9300 .
C17 N2 1.395(6) .
C17 H17 0.9300 .
C18 C19 1.396(7) .
C18 C23 1.397(7) .
C18 N2 1.443(6) .
C19 C20 1.375(7) .
C19 H19 0.9300 .
C20 C21 1.377(8) .
C20 H20 0.9300 .
C21 O6 1.366(6) .
C21 C22 1.402(7) .
C22 C23 1.390(7) .
C22 C25 1.437(7) .
C23 H23 0.9300 .
C24 C29 1.384(7) .
C24 C25 1.388(7) .
C24 O6 1.397(6) .
C25 C26 1.390(7) .
C26 C27 1.384(7) .
C26 H26 0.9300 .
C27 C28 1.385(7) .
C27 N4 1.407(7) .
C28 C29 1.370(7) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 N3 1.328(7) .
C30 N4 1.353(7) .
C30 H30 0.9300 .
C31 C32 1.331(9) .
C31 N4 1.400(7) .
C31 H31 0.9300 .
C32 N3 1.377(8) .
C32 H32 0.9300 .
Co1 O2 2.045(4) .
Co1 O4 2.096(5) 2
Co1 N3 2.097(5) 8_455
Co1 O3 2.101(4) 8
Co1 N1 2.116(5) .
N3 Co1 2.097(5) 8_556
N5 H5A 0.7664 .
O3 Co1 2.101(4) 8_456
O4 Co1 2.096(5) 2
O1W H1WB 0.8808 .
O1W H1WA 0.8835 .
O1W H1WA 0.8835 .
O1W H1WB 0.8808 .
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
O1 C1 C2 C3 9.5(8) . .
O2 C1 C2 C3 -175.7(5) . .
O1 C1 C2 C7 -165.0(5) . .
O2 C1 C2 C7 9.8(7) . .
C7 C2 C3 C4 1.9(7) . .
C1 C2 C3 C4 -172.7(5) . .
C2 C3 C4 C5 2.4(7) . .
C3 C4 C5 N5 172.6(5) . .
C3 C4 C5 C6 -5.0(7) . .
N5 C5 C6 C7 -174.1(5) . .
C4 C5 C6 C7 3.3(8) . .
C5 C6 C7 C2 1.0(8) . .
C3 C2 C7 C6 -3.6(8) . .
C1 C2 C7 C6 171.1(5) . .
O3 C8 C9 C14 7.4(10) . .
O4 C8 C9 C14 -173.2(6) . .
O3 C8 C9 C10 -170.6(6) . .
O4 C8 C9 C10 8.8(9) . .
C14 C9 C10 C11 -5.0(9) . .
C8 C9 C10 C11 173.0(5) . .
C9 C10 C11 C12 0.7(9) . .
C10 C11 C12 N5 -174.2(5) . .
C10 C11 C12 C13 3.7(10) . .
N5 C12 C13 C14 174.1(7) . .
C11 C12 C13 C14 -3.8(12) . .
C10 C9 C14 C13 5.0(11) . .
C8 C9 C14 C13 -173.1(7) . .
C12 C13 C14 C9 -0.6(13) . .
N1 C16 C17 N2 -0.1(7) . .
C23 C18 C19 C20 -1.4(8) . .
N2 C18 C19 C20 175.3(5) . .
C18 C19 C20 C21 0.4(8) . .
C19 C20 C21 O6 -179.5(5) . .
C19 C20 C21 C22 1.1(8) . .
O6 C21 C22 C23 179.0(4) . .
C20 C21 C22 C23 -1.5(8) . .
O6 C21 C22 C25 0.1(5) . .
C20 C21 C22 C25 179.6(5) . .
C21 C22 C23 C18 0.5(7) . .
C25 C22 C23 C18 178.9(5) . .
C19 C18 C23 C22 1.0(7) . .
N2 C18 C23 C22 -175.8(4) . .
C29 C24 C25 C26 -0.2(8) . .
O6 C24 C25 C26 -180.0(4) . .
C29 C24 C25 C22 179.6(5) . .
O6 C24 C25 C22 -0.2(6) . .
C23 C22 C25 C24 -178.5(5) . .
C21 C22 C25 C24 0.1(5) . .
C23 C22 C25 C26 1.2(10) . .
C21 C22 C25 C26 179.8(5) . .
C24 C25 C26 C27 -0.5(7) . .
C22 C25 C26 C27 179.8(5) . .
C25 C26 C27 C28 0.7(7) . .
C25 C26 C27 N4 -178.1(4) . .
C26 C27 C28 C29 -0.2(8) . .
N4 C27 C28 C29 178.7(5) . .
C27 C28 C29 C24 -0.5(8) . .
C25 C24 C29 C28 0.7(8) . .
O6 C24 C29 C28 -179.5(5) . .
N4 C31 C32 N3 0.0(7) . .
N2 C15 N1 C16 -0.3(6) . .
N2 C15 N1 Co1 -176.9(4) . .
C17 C16 N1 C15 0.2(7) . .
C17 C16 N1 Co1 177.2(4) . .
O2 Co1 N1 C15 -148.2(5) . .
O4 Co1 N1 C15 118.3(5) 2 .
N3 Co1 N1 C15 -179(100) 8_455 .
O3 Co1 N1 C15 -16.5(5) 8 .
O2 Co1 N1 C16 35.7(5) . .
O4 Co1 N1 C16 -57.8(5) 2 .
N3 Co1 N1 C16 4(3) 8_455 .
O3 Co1 N1 C16 167.4(4) 8 .
N1 C15 N2 C17 0.3(6) . .
N1 C15 N2 C18 176.5(5) . .
C16 C17 N2 C15 -0.1(6) . .
C16 C17 N2 C18 -176.4(5) . .
C19 C18 N2 C15 -147.2(5) . .
C23 C18 N2 C15 29.6(7) . .
C19 C18 N2 C17 28.3(7) . .
C23 C18 N2 C17 -154.8(5) . .
N4 C30 N3 C32 1.2(6) . .
N4 C30 N3 Co1 -177.3(3) . 8_556
C31 C32 N3 C30 -0.7(7) . .
C31 C32 N3 Co1 177.5(4) . 8_556
N3 C30 N4 C31 -1.3(6) . .
N3 C30 N4 C27 178.1(5) . .
C32 C31 N4 C30 0.7(6) . .
C32 C31 N4 C27 -178.6(5) . .
C26 C27 N4 C30 27.3(7) . .
C28 C27 N4 C30 -151.6(5) . .
C26 C27 N4 C31 -153.5(5) . .
C28 C27 N4 C31 27.7(8) . .
C6 C5 N5 C12 -33.6(9) . .
C4 C5 N5 C12 148.9(6) . .
C13 C12 N5 C5 158.5(7) . .
C11 C12 N5 C5 -23.6(10) . .
O1 C1 O2 Co1 20.1(7) . .
C2 C1 O2 Co1 -154.4(4) . .
O4 Co1 O2 C1 163.1(4) 2 .
N3 Co1 O2 C1 -108.8(4) 8_455 .
O3 Co1 O2 C1 -22.9(5) 8 .
N1 Co1 O2 C1 73.4(4) . .
O4 C8 O3 Co1 -1.3(7) . 8_456
C9 C8 O3 Co1 178.1(5) . 8_456
O3 C8 O4 Co1 -124(2) . 2
C9 C8 O4 Co1 56(3) . 2
C20 C21 O6 C24 -179.7(5) . .
C22 C21 O6 C24 -0.3(5) . .
C29 C24 O6 C21 -179.5(5) . .
C25 C24 O6 C21 0.3(5) . .
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 0.000 -0.010 748 289 ' '
2 0.500 0.500 -0.031 748 289 ' '
3 0.000 0.324 0.250 7 0 ' '
4 0.500 0.824 0.250 7 0 ' '
5 0.500 0.176 0.750 7 0 ' '
6 0.000 0.676 0.750 7 0 ' '
