#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:34:43 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180045 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/39/7033905.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_7033905
loop_
_publ_author_name
'Meng, Jiang-Ping'
'Gong, Yun'
'Lin, Qiang'
'Zhang, Miao-Miao'
'Zhang, Pan'
'Shi, Hui-Fang'
'Lin, Jian-Hua'
_publ_section_title
;
 Metal-organic frameworks based on rigid ligands as separator membranes in
 supercapacitor.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5407
_journal_page_last               5416
_journal_paper_doi               10.1039/c4dt03702b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C36 H28 Co N10 O5'
_chemical_formula_weight         739.61
_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
_audit_update_record
;
2015-01-18 deposited with the CCDC.
2015-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 100.697(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0020(6)
_cell_length_b                   22.1547(17)
_cell_length_c                   16.9957(9)
_cell_measurement_reflns_used    3262
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.5240
_cell_measurement_theta_min      3.4220
_cell_volume                     4070.6(4)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0800
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7130
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.472
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1524
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_platon_squeeze_details
;
;
_refine_diff_density_max         0.640
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         7130
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0806
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0827P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1542
_refine_ls_wR_factor_ref         0.1645
_reflns_number_gt                4947
_reflns_number_total             7130
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03702b2.cif
_cod_data_source_block           130318
_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 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7033903--7033905.cif.
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7033905
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 0.14436(4) 0.557404(19) 0.53059(3) 0.01591(16) Uani 1 1 d .
O2 O 0.00072(19) 0.59090(11) 0.45246(14) 0.0241(6) Uani 1 1 d .
O3 O -0.7860(2) 0.85308(11) 0.06017(15) 0.0278(6) Uani 1 1 d .
O4 O -0.6736(2) 0.92857(10) 0.11576(14) 0.0230(6) Uani 1 1 d .
O1 O -0.1626(2) 0.53315(11) 0.46079(14) 0.0237(6) Uani 1 1 d .
N1 N 0.2442(2) 0.55154(12) 0.43341(16) 0.0185(6) Uani 1 1 d .
N9 N 1.0529(2) 0.55536(13) -0.36778(17) 0.0214(7) Uani 1 1 d .
N2 N 0.4411(3) 0.56201(15) 0.18218(19) 0.0329(8) Uani 1 1 d .
H2 H 0.3828 0.5869 0.1636 0.039 Uiso 1 1 calc R
N3 N 0.5603(3) 0.49748(14) 0.25744(19) 0.0301(8) Uani 1 1 d .
N4 N 0.6118(3) 0.50443(15) 0.1913(2) 0.0366(8) Uani 1 1 d .
C30 C -0.6001(3) 0.82887(16) 0.1492(2) 0.0246(8) Uani 1 1 d .
N7 N 0.8345(3) 0.49663(16) -0.0601(2) 0.0403(9) Uani 1 1 d .
N6 N 0.7811(3) 0.56514(15) -0.15156(19) 0.0344(8) Uani 1 1 d .
H6 H 0.7442 0.5945 -0.1794 0.041 Uiso 1 1 calc R
C33 C -0.6908(3) 0.87251(16) 0.1067(2) 0.0231(8) Uani 1 1 d .
C4 C 0.4110(3) 0.50414(16) 0.3830(2) 0.0260(9) Uani 1 1 d .
H4 H 0.4764 0.4769 0.3911 0.031 Uiso 1 1 calc R
C18 C 1.0997(3) 0.51942(17) -0.3061(2) 0.0275(9) Uani 1 1 d .
H18 H 1.1734 0.4993 -0.3079 0.033 Uiso 1 1 calc R
N8 N 0.9132(3) 0.48914(16) -0.1127(2) 0.0412(9) Uani 1 1 d .
C6 C 0.4583(3) 0.53298(17) 0.2505(2) 0.0273(9) Uani 1 1 d .
C3 C 0.3835(3) 0.53810(17) 0.3131(2) 0.0241(8) Uani 1 1 d .
C17 C 0.9481(3) 0.58442(17) -0.3626(2) 0.0276(9) Uani 1 1 d .
H17 H 0.9135 0.6097 -0.4045 0.033 Uiso 1 1 calc R
C16 C 0.8887(3) 0.57878(18) -0.2985(2) 0.0314(9) Uani 1 1 d .
H16 H 0.8166 0.6003 -0.2971 0.038 Uiso 1 1 calc R
C2 C 0.2851(3) 0.57812(18) 0.3049(2) 0.0295(9) Uani 1 1 d .
H2A H 0.2639 0.6010 0.2585 0.035 Uiso 1 1 calc R
C7 C 0.5360(3) 0.54376(19) 0.1477(2) 0.0328(10) Uani 1 1 d .
N5 N 0.4799(4) 0.6247(3) -0.0475(3) 0.0864(18) Uani 1 1 d .
C5 C 0.3376(3) 0.51239(16) 0.4403(2) 0.0257(9) Uani 1 1 d .
H5 H 0.3547 0.4891 0.4865 0.031 Uiso 1 1 calc R
C8 C 0.6484(3) 0.5423(2) 0.0328(2) 0.0343(10) Uani 1 1 d .
H8 H 0.7035 0.5138 0.0591 0.041 Uiso 1 1 calc R
C1 C 0.2187(3) 0.58384(16) 0.3660(2) 0.0259(8) Uani 1 1 d .
H1 H 0.1537 0.6113 0.3599 0.031 Uiso 1 1 calc R
C23 C -0.2219(4) 0.70689(19) 0.2956(3) 0.0408(11) Uani 1 1 d .
H23 H -0.1876 0.7368 0.2682 0.049 Uiso 1 1 calc R
C20 C -0.1123(3) 0.57861(16) 0.4367(2) 0.0221(8) Uani 1 1 d .
C21 C -0.1933(3) 0.62226(16) 0.3838(2) 0.0254(8) Uani 1 1 d .
C24 C -0.3497(3) 0.70263(17) 0.2864(2) 0.0325(10) Uani 1 1 d .
C27 C -0.4340(3) 0.74642(17) 0.2367(2) 0.0303(9) Uani 1 1 d .
C15 C 0.9376(3) 0.54066(17) -0.2358(2) 0.0300(9) Uani 1 1 d .
C22 C -0.1447(3) 0.66780(19) 0.3443(2) 0.0368(11) Uani 1 1 d .
H22 H -0.0594 0.6722 0.3505 0.044 Uiso 1 1 calc R
C28 C -0.4040(3) 0.80676(17) 0.2357(2) 0.0300(9) Uani 1 1 d .
H28 H -0.3286 0.8202 0.2644 0.036 Uiso 1 1 calc R
C19 C 1.0457(4) 0.51049(18) -0.2406(2) 0.0333(10) Uani 1 1 d .
H19 H 1.0814 0.4844 -0.1999 0.040 Uiso 1 1 calc R
C12 C 0.6598(4) 0.5623(2) -0.0423(3) 0.0403(11) Uani 1 1 d .
C25 C -0.3962(4) 0.6576(2) 0.3262(3) 0.0547(15) Uani 1 1 d .
H25 H -0.4816 0.6540 0.3210 0.066 Uiso 1 1 calc R
C13 C 0.7565(3) 0.5422(2) -0.0843(2) 0.0339(10) Uani 1 1 d .
C14 C 0.8759(4) 0.53256(19) -0.1662(2) 0.0330(9) Uani 1 1 d .
C29 C -0.4859(3) 0.84783(18) 0.1919(2) 0.0311(9) Uani 1 1 d .
H29 H -0.4640 0.8884 0.1911 0.037 Uiso 1 1 calc R
C9 C 0.5555(4) 0.5643(2) 0.0688(2) 0.0368(10) Uani 1 1 d .
C31 C -0.6277(4) 0.76741(18) 0.1491(3) 0.0378(11) Uani 1 1 d .
H31 H -0.7021 0.7536 0.1194 0.045 Uiso 1 1 calc R
C26 C -0.3213(3) 0.61710(19) 0.3741(3) 0.0464(13) Uani 1 1 d .
H26 H -0.3562 0.5864 0.3998 0.056 Uiso 1 1 calc R
C11 C 0.5721(5) 0.6028(3) -0.0787(3) 0.0667(16) Uani 1 1 d .
H11 H 0.5783 0.6158 -0.1298 0.080 Uiso 1 1 calc R
C32 C -0.5472(4) 0.72704(18) 0.1921(3) 0.0422(12) Uani 1 1 d .
H32 H -0.5680 0.6863 0.1916 0.051 Uiso 1 1 calc R
N10 N 0.9765(7) 0.6932(3) 0.1067(5) 0.1290(15) Uani 1 1 d .
C10 C 0.4741(5) 0.6044(3) 0.0261(3) 0.0662(16) Uani 1 1 d .
H10 H 0.4100 0.6185 0.0499 0.079 Uiso 1 1 calc R
C36 C 0.8997(8) 0.6521(4) 0.0537(5) 0.1290(15) Uani 1 1 d .
H36A H 0.8162 0.6546 0.0626 0.193 Uiso 1 1 calc R
H36B H 0.9298 0.6117 0.0640 0.193 Uiso 1 1 calc R
H36C H 0.9017 0.6626 -0.0008 0.193 Uiso 1 1 calc R
C35 C 0.9695(9) 0.7564(4) 0.0968(7) 0.156(4) Uani 1 1 d .
H35A H 1.0459 0.7711 0.0844 0.188 Uiso 1 1 calc R
H35B H 0.9553 0.7748 0.1454 0.188 Uiso 1 1 calc R
H35C H 0.9027 0.7663 0.0538 0.188 Uiso 1 1 calc R
O5 O 1.1055(5) 0.6958(2) 0.2256(4) 0.1290(15) Uani 1 1 d .
C34 C 1.0485(8) 0.6669(4) 0.1716(6) 0.132(3) Uani 1 1 d .
H34 H 1.0535 0.6250 0.1739 0.158 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
O2 Co1 O1 118.08(9) . 3_566
O2 Co1 N1 88.04(10) . .
O1 Co1 N1 86.42(10) 3_566 .
O2 Co1 O3 90.93(9) . 4_676
O1 Co1 O3 150.77(9) 3_566 4_676
N1 Co1 O3 91.41(10) . 4_676
O2 Co1 N9 96.35(10) . 1_456
O1 Co1 N9 88.62(11) 3_566 1_456
N1 Co1 N9 174.52(11) . 1_456
O3 Co1 N9 91.78(11) 4_676 1_456
O2 Co1 O4 150.01(9) . 4_676
O1 Co1 O4 91.48(9) 3_566 4_676
N1 Co1 O4 88.98(9) . 4_676
O3 Co1 O4 59.32(8) 4_676 4_676
N9 Co1 O4 88.83(10) 1_456 4_676
C20 O2 Co1 133.6(2) . .
C33 O3 Co1 92.9(2) . 4_475
C33 O4 Co1 87.84(19) . 4_475
C20 O1 Co1 141.0(2) . 3_566
C5 N1 C1 117.3(3) . .
C5 N1 Co1 117.9(2) . .
C1 N1 Co1 124.8(2) . .
C17 N9 C18 116.4(3) . .
C17 N9 Co1 125.4(2) . 1_654
C18 N9 Co1 118.1(2) . 1_654
C6 N2 C7 104.0(3) . .
C6 N2 H2 128.0 . .
C7 N2 H2 128.0 . .
C6 N3 N4 109.1(3) . .
C7 N4 N3 102.7(3) . .
C29 C30 C31 118.0(3) . .
C29 C30 C33 121.2(3) . .
C31 C30 C33 120.7(3) . .
C13 N7 N8 109.7(3) . .
C13 N6 C14 104.3(3) . .
C13 N6 H6 127.9 . .
C14 N6 H6 127.9 . .
O4 C33 O3 120.0(3) . .
O4 C33 C30 120.8(3) . .
O3 C33 C30 119.2(3) . .
C5 C4 C3 117.7(3) . .
C5 C4 H4 121.1 . .
C3 C4 H4 121.1 . .
N9 C18 C19 124.0(3) . .
N9 C18 H18 118.0 . .
C19 C18 H18 118.0 . .
C14 N8 N7 101.9(3) . .
N2 C6 N3 110.1(3) . .
N2 C6 C3 126.7(3) . .
N3 C6 C3 123.3(3) . .
C2 C3 C4 118.3(3) . .
C2 C3 C6 120.7(3) . .
C4 C3 C6 121.0(3) . .
N9 C17 C16 123.3(3) . .
N9 C17 H17 118.3 . .
C16 C17 H17 118.3 . .
C17 C16 C15 119.4(4) . .
C17 C16 H16 120.3 . .
C15 C16 H16 120.3 . .
C1 C2 C3 119.7(3) . .
C1 C2 H2A 120.2 . .
C3 C2 H2A 120.2 . .
N4 C7 N2 114.1(4) . .
N4 C7 C9 121.9(4) . .
N2 C7 C9 124.0(4) . .
C11 N5 C10 115.1(4) . .
N1 C5 C4 124.3(3) . .
N1 C5 H5 117.8 . .
C4 C5 H5 117.8 . .
C9 C8 C12 120.0(4) . .
C9 C8 H8 120.0 . .
C12 C8 H8 120.0 . .
N1 C1 C2 122.7(3) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C22 C23 C24 121.6(4) . .
C22 C23 H23 119.2 . .
C24 C23 H23 119.2 . .
O2 C20 O1 125.9(3) . .
O2 C20 C21 116.4(3) . .
O1 C20 C21 117.7(3) . .
C22 C21 C26 118.6(3) . .
C22 C21 C20 121.7(3) . .
C26 C21 C20 119.7(3) . .
C25 C24 C23 117.5(4) . .
C25 C24 C27 120.5(3) . .
C23 C24 C27 121.9(4) . .
C28 C27 C32 118.8(3) . .
C28 C27 C24 120.9(3) . .
C32 C27 C24 120.3(3) . .
C19 C15 C16 117.7(4) . .
C19 C15 C14 121.1(4) . .
C16 C15 C14 121.2(3) . .
C21 C22 C23 120.2(3) . .
C21 C22 H22 119.9 . .
C23 C22 H22 119.9 . .
C27 C28 C29 120.5(3) . .
C27 C28 H28 119.8 . .
C29 C28 H28 119.8 . .
C18 C19 C15 119.1(4) . .
C18 C19 H19 120.4 . .
C15 C19 H19 120.4 . .
C11 C12 C8 116.7(4) . .
C11 C12 C13 119.5(4) . .
C8 C12 C13 123.8(4) . .
C24 C25 C26 122.2(4) . .
C24 C25 H25 118.9 . .
C26 C25 H25 118.9 . .
N6 C13 N7 109.5(4) . .
N6 C13 C12 126.2(4) . .
N7 C13 C12 124.3(4) . .
N6 C14 N8 114.5(4) . .
N6 C14 C15 125.2(4) . .
N8 C14 C15 120.3(4) . .
C30 C29 C28 120.8(4) . .
C30 C29 H29 119.6 . .
C28 C29 H29 119.6 . .
C10 C9 C8 117.5(4) . .
C10 C9 C7 119.5(4) . .
C8 C9 C7 122.8(4) . .
C32 C31 C30 121.2(3) . .
C32 C31 H31 119.4 . .
C30 C31 H31 119.4 . .
C25 C26 C21 119.9(4) . .
C25 C26 H26 120.1 . .
C21 C26 H26 120.1 . .
N5 C11 C12 125.8(5) . .
N5 C11 H11 117.1 . .
C12 C11 H11 117.1 . .
C31 C32 C27 120.7(4) . .
C31 C32 H32 119.6 . .
C27 C32 H32 119.6 . .
C34 N10 C35 122.1(8) . .
C34 N10 C36 114.9(8) . .
C35 N10 C36 122.7(8) . .
N5 C10 C9 124.9(4) . .
N5 C10 H10 117.6 . .
C9 C10 H10 117.6 . .
N10 C36 H36A 109.5 . .
N10 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
N10 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N10 C35 H35A 109.5 . .
N10 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
N10 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O5 C34 N10 122.4(8) . .
O5 C34 H34 118.8 . .
N10 C34 H34 118.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2 2.008(2) .
Co1 O1 2.019(2) 3_566
Co1 N1 2.150(3) .
Co1 O3 2.152(2) 4_676
Co1 N9 2.155(3) 1_456
Co1 O4 2.264(2) 4_676
O2 C20 1.252(4) .
O3 C33 1.265(4) .
O3 Co1 2.152(2) 4_475
O4 C33 1.261(4) .
O4 Co1 2.264(2) 4_475
O1 C20 1.254(4) .
O1 Co1 2.019(2) 3_566
N1 C5 1.333(4) .
N1 C1 1.336(4) .
N9 C17 1.338(5) .
N9 C18 1.341(5) .
N9 Co1 2.155(3) 1_654
N2 C6 1.310(5) .
N2 C7 1.351(5) .
N2 H2 0.8600 .
N3 C6 1.357(5) .
N3 N4 1.359(4) .
N4 C7 1.332(5) .
C30 C29 1.394(5) .
C30 C31 1.395(5) .
C30 C33 1.478(5) .
N7 C13 1.339(5) .
N7 N8 1.366(5) .
N6 C13 1.324(5) .
N6 C14 1.330(5) .
N6 H6 0.8600 .
C4 C5 1.387(5) .
C4 C3 1.391(5) .
C4 H4 0.9300 .
C18 C19 1.370(5) .
C18 H18 0.9300 .
N8 C14 1.336(5) .
C6 C3 1.465(5) .
C3 C2 1.386(5) .
C17 C16 1.376(5) .
C17 H17 0.9300 .
C16 C15 1.387(5) .
C16 H16 0.9300 .
C2 C1 1.382(5) .
C2 H2A 0.9300 .
C7 C9 1.470(5) .
N5 C11 1.322(6) .
N5 C10 1.342(6) .
C5 H5 0.9300 .
C8 C9 1.374(6) .
C8 C12 1.378(6) .
C8 H8 0.9300 .
C1 H1 0.9300 .
C23 C22 1.377(5) .
C23 C24 1.389(5) .
C23 H23 0.9300 .
C20 C21 1.496(5) .
C21 C22 1.374(5) .
C21 C26 1.391(5) .
C24 C25 1.357(6) .
C24 C27 1.492(5) .
C27 C28 1.378(5) .
C27 C32 1.400(5) .
C15 C19 1.380(5) .
C15 C14 1.479(5) .
C22 H22 0.9300 .
C28 C29 1.395(5) .
C28 H28 0.9300 .
C19 H19 0.9300 .
C12 C11 1.377(6) .
C12 C13 1.457(6) .
C25 C26 1.378(5) .
C25 H25 0.9300 .
C29 H29 0.9300 .
C9 C10 1.369(6) .
C31 C32 1.370(5) .
C31 H31 0.9300 .
C26 H26 0.9300 .
C11 H11 0.9300 .
C32 H32 0.9300 .
N10 C34 1.363(10) .
N10 C35 1.412(9) .
N10 C36 1.439(8) .
C10 H10 0.9300 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
O5 C34 1.197(9) .
C34 H34 0.9300 .
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 -0.323 0.277 0.074 245 18 ' '
2 0.322 0.777 0.426 245 18 ' '
3 -0.323 0.223 0.574 245 17 ' '
4 0.322 0.723 0.926 245 18 ' '
5 0.217 0.102 0.309 7 0 ' '
6 0.217 0.398 0.809 7 0 ' '
7 0.783 0.602 0.190 7 0 ' '
8 0.783 0.898 0.690 7 0 ' '
