#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:30:47 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180042 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/36/7033605.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_7033605
loop_
_publ_author_name
'Zhang, Chuan-Lei'
'Qin, Ling'
'Shi, Zhen-Zhen'
'Zheng, He-Gen'
_publ_section_title
;
 Diverse structures of metal-organic frameworks based on different metal
 ions: luminescence and gas adsorption properties.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4238
_journal_page_last               4245
_journal_paper_doi               10.1039/c4dt03627a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C32 H24 Co N2 O7'
_chemical_formula_weight         607.46
_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
;
2014-05-07 deposited with the CCDC.
2015-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 100.3550(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.3160(17)
_cell_length_b                   13.9919(10)
_cell_length_c                   17.8674(12)
_cell_measurement_reflns_used    6549
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.97
_cell_measurement_theta_min      2.59
_cell_volume                     6225.9(7)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0340
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27865
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    0.599
_exptl_absorpt_correction_T_max  0.8408
_exptl_absorpt_correction_T_min  0.8133
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_density_meas      1.296
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2504
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.30
_platon_squeeze_details          ' '
_refine_diff_density_max         0.248
_refine_diff_density_min         -0.251
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         7148
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0610P)²+2.3845P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1141
_reflns_number_gt                5668
_reflns_number_total             7148
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03627a2.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/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 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7033604--7033607.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7033605
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
Co1 Co 0.204849(9) 0.240157(17) 0.298585(13) 0.02991(9) Uani 1 1 d .
O1 O 0.16075(7) 0.33269(13) 0.17787(10) 0.0640(5) Uani 1 1 d .
O2 O 0.16826(6) 0.17967(12) 0.20325(8) 0.0549(4) Uani 1 1 d .
O3 O -0.22384(6) 0.21984(12) -0.22014(8) 0.0488(4) Uani 1 1 d .
O4 O -0.22077(6) 0.20501(14) -0.09703(9) 0.0573(4) Uani 1 1 d .
O5 O 0.28593(8) -0.08958(10) 0.58351(8) 0.0628(5) Uani 1 1 d .
O6 O -0.01583(7) 0.50409(16) 0.34316(9) 0.0745(6) Uani 1 1 d .
O10 O 0.02542(6) 0.1550(2) -0.12451(9) 0.0908(8) Uani 1 1 d .
N1 N 0.21518(6) 0.11343(11) 0.35744(8) 0.0354(3) Uani 1 1 d .
N2 N 0.15088(6) 0.31215(11) 0.35082(9) 0.0373(4) Uani 1 1 d .
C1 C -0.19799(8) 0.20436(15) -0.15272(12) 0.0402(4) Uani 1 1 d .
C2 C 0.21945(8) 0.01817(14) 0.46907(10) 0.0391(4) Uani 1 1 d .
H2 H 0.2159 0.0146 0.5199 0.047 Uiso 1 1 calc R
C3 C 0.23280(8) -0.06301(13) 0.43171(10) 0.0350(4) Uani 1 1 d .
C4 C 0.26781(8) -0.17024(14) 0.54399(11) 0.0406(4) Uani 1 1 d .
C5 C -0.13885(8) 0.18791(16) -0.14368(11) 0.0427(5) Uani 1 1 d .
C6 C 0.21154(8) 0.10383(14) 0.43080(10) 0.0382(4) Uani 1 1 d .
H6 H 0.2033 0.1575 0.4572 0.046 Uiso 1 1 calc R
C7 C 0.05895(9) 0.1776(3) -0.05543(13) 0.0637(8) Uani 1 1 d U
C8 C 0.24180(8) -0.15798(13) 0.46820(11) 0.0366(4) Uani 1 1 d .
C9 C 0.07493(8) 0.40551(15) 0.42092(12) 0.0405(4) Uani 1 1 d .
C10 C 0.12909(8) 0.41094(17) 0.44909(12) 0.0477(5) Uani 1 1 d .
H10 H 0.1413 0.4471 0.4924 0.057 Uiso 1 1 calc R
C11 C -0.00960(9) 0.50134(17) 0.42071(12) 0.0487(5) Uani 1 1 d .
C12 C 0.23600(9) -0.05283(14) 0.35529(11) 0.0458(5) Uani 1 1 d .
H12 H 0.2446 -0.1051 0.3276 0.055 Uiso 1 1 calc R
C13 C 0.22446(9) -0.23875(14) 0.42625(11) 0.0412(5) Uani 1 1 d .
H13 H 0.2070 -0.2315 0.3762 0.049 Uiso 1 1 calc R
C14 C 0.03546(8) 0.45417(16) 0.46004(12) 0.0439(5) Uani 1 1 d .
C15 C 0.16531(8) 0.36351(16) 0.41392(12) 0.0447(5) Uani 1 1 d .
H15 H 0.2016 0.3674 0.4351 0.054 Uiso 1 1 calc R
C16 C 0.15290(8) 0.24921(17) 0.15838(12) 0.0449(5) Uani 1 1 d .
C17 C 0.22650(10) 0.03454(15) 0.32086(11) 0.0467(5) Uani 1 1 d .
H17 H 0.2280 0.0393 0.2694 0.056 Uiso 1 1 calc R
C18 C 0.12266(8) 0.22335(17) 0.08077(11) 0.0438(5) Uani 1 1 d .
C19 C -0.10718(9) 0.18621(19) -0.07289(12) 0.0531(6) Uani 1 1 d .
H19 H -0.1231 0.1924 -0.0301 0.064 Uiso 1 1 calc R
C21 C 0.04452(8) 0.45415(17) 0.53858(12) 0.0486(5) Uani 1 1 d .
H21 H 0.0748 0.4235 0.5650 0.058 Uiso 1 1 calc R
C22 C -0.11497(9) 0.1777(2) -0.20647(13) 0.0668(8) Uani 1 1 d .
H22 H -0.1360 0.1783 -0.2548 0.080 Uiso 1 1 calc R
C23 C -0.05220(9) 0.1755(2) -0.06361(12) 0.0621(7) Uani 1 1 d .
H23 H -0.0312 0.1739 -0.0153 0.074 Uiso 1 1 calc R
C24 C -0.02922(9) 0.1671(2) -0.12736(13) 0.0640(7) Uani 1 1 d .
C25 C 0.05998(9) 0.3517(2) 0.35529(15) 0.0619(7) Uani 1 1 d .
H25 H 0.0239 0.3455 0.3336 0.074 Uiso 1 1 calc R
C26 C 0.09854(9) 0.30736(19) 0.32223(14) 0.0584(6) Uani 1 1 d .
H26 H 0.0876 0.2724 0.2779 0.070 Uiso 1 1 calc R
C27 C 0.11388(10) 0.1299(2) 0.05958(14) 0.0606(6) Uani 1 1 d .
H27 H 0.1296 0.0816 0.0919 0.073 Uiso 1 1 calc R
C28 C 0.31338(14) -0.09967(19) 0.65903(13) 0.0781(9) Uani 1 1 d .
H28A H 0.2913 -0.1342 0.6881 0.117 Uiso 1 1 calc R
H28B H 0.3214 -0.0376 0.6811 0.117 Uiso 1 1 calc R
H28C H 0.3462 -0.1341 0.6593 0.117 Uiso 1 1 calc R
C29 C 0.08178(11) 0.1060(2) -0.00968(15) 0.0733(8) Uani 1 1 d .
H29 H 0.0762 0.0425 -0.0241 0.088 Uiso 1 1 calc R
C30 C 0.10130(11) 0.2947(2) 0.03102(14) 0.0628(6) Uani 1 1 d .
H30 H 0.1083 0.3584 0.0438 0.075 Uiso 1 1 calc R
C31 C -0.06043(9) 0.1667(3) -0.19849(13) 0.0847(11) Uani 1 1 d .
H31 H -0.0446 0.1590 -0.2412 0.102 Uiso 1 1 calc R
C32 C 0.06948(12) 0.2714(3) -0.03766(16) 0.0754(9) Uani 1 1 d U
H32 H 0.0553 0.3192 -0.0716 0.090 Uiso 1 1 calc R
C33 C -0.06473(13) 0.5404(3) 0.30161(16) 0.0931(11) Uani 1 1 d .
H33A H -0.0944 0.5082 0.3174 0.140 Uiso 1 1 calc R
H33B H -0.0659 0.5297 0.2482 0.140 Uiso 1 1 calc R
H33C H -0.0670 0.6077 0.3110 0.140 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
O3 Co1 O2 106.04(7) 8_556 .
O3 Co1 N2 129.90(7) 8_556 .
O2 Co1 N2 110.79(7) . .
O3 Co1 N1 107.17(6) 8_556 .
O2 Co1 N1 93.92(6) . .
N2 Co1 N1 102.99(6) . .
C16 O2 Co1 104.93(14) . .
C1 O3 Co1 102.50(12) . 8_455
C4 O5 C28 118.30(17) . .
C11 O6 C33 118.14(18) . .
C24 O10 C7 116.56(17) . .
C6 N1 C17 117.00(16) . .
C6 N1 Co1 124.31(13) . .
C17 N1 Co1 118.69(12) . .
C26 N2 C15 117.00(17) . .
C26 N2 Co1 119.88(14) . .
C15 N2 Co1 123.11(13) . .
O4 C1 O3 121.46(18) . .
O4 C1 C5 121.15(19) . .
O3 C1 C5 117.38(18) . .
C6 C2 C3 119.95(17) . .
C6 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C12 C3 C2 116.77(17) . .
C12 C3 C8 119.57(17) . .
C2 C3 C8 123.63(17) . .
O5 C4 C13 123.50(17) . 7_546
O5 C4 C8 116.92(16) . .
C13 C4 C8 119.54(17) 7_546 .
C19 C5 C22 118.77(19) . .
C19 C5 C1 120.72(19) . .
C22 C5 C1 120.47(18) . .
N1 C6 C2 123.02(17) . .
N1 C6 H6 118.5 . .
C2 C6 H6 118.5 . .
C29 C7 C32 121.7(2) . .
C29 C7 O10 119.3(3) . .
C32 C7 O10 118.9(3) . .
C13 C8 C4 118.06(17) . .
C13 C8 C3 119.09(16) . .
C4 C8 C3 122.85(17) . .
C10 C9 C25 116.21(18) . .
C10 C9 C14 120.92(19) . .
C25 C9 C14 122.87(18) . .
C15 C10 C9 120.66(19) . .
C15 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
O6 C11 C21 123.37(19) . 5_566
O6 C11 C14 117.33(18) . .
C21 C11 C14 119.3(2) 5_566 .
C17 C12 C3 119.74(18) . .
C17 C12 H12 120.1 . .
C3 C12 H12 120.1 . .
C4 C13 C8 122.40(18) 7_546 .
C4 C13 H13 118.8 7_546 .
C8 C13 H13 118.8 . .
C21 C14 C11 118.94(18) . .
C21 C14 C9 118.41(18) . .
C11 C14 C9 122.64(19) . .
N2 C15 C10 122.99(19) . .
N2 C15 H15 118.5 . .
C10 C15 H15 118.5 . .
O1 C16 O2 122.2(2) . .
O1 C16 C18 121.4(2) . .
O2 C16 C18 116.3(2) . .
N1 C17 C12 123.48(18) . .
N1 C17 H17 118.3 . .
C12 C17 H17 118.3 . .
C27 C18 C30 119.2(2) . .
C27 C18 C16 121.1(2) . .
C30 C18 C16 119.7(2) . .
C5 C19 C23 121.5(2) . .
C5 C19 H19 119.2 . .
C23 C19 H19 119.2 . .
C14 C21 C11 121.8(2) . 5_566
C14 C21 H21 119.1 . .
C11 C21 H21 119.1 5_566 .
C31 C22 C5 120.6(2) . .
C31 C22 H22 119.7 . .
C5 C22 H22 119.7 . .
C24 C23 C19 118.5(2) . .
C24 C23 H23 120.7 . .
C19 C23 H23 120.7 . .
C31 C24 C23 120.6(2) . .
C31 C24 O10 116.0(2) . .
C23 C24 O10 123.27(19) . .
C26 C25 C9 120.0(2) . .
C26 C25 H25 120.0 . .
C9 C25 H25 120.0 . .
N2 C26 C25 123.1(2) . .
N2 C26 H26 118.5 . .
C25 C26 H26 118.5 . .
C18 C27 C29 121.0(2) . .
C18 C27 H27 119.5 . .
C29 C27 H27 119.5 . .
O5 C28 H28A 109.5 . .
O5 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
O5 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C7 C29 C27 118.4(3) . .
C7 C29 H29 120.8 . .
C27 C29 H29 120.8 . .
C32 C30 C18 120.0(3) . .
C32 C30 H30 120.0 . .
C18 C30 H30 120.0 . .
C24 C31 C22 119.9(2) . .
C24 C31 H31 120.1 . .
C22 C31 H31 120.1 . .
C7 C32 C30 119.5(3) . .
C7 C32 H32 120.3 . .
C30 C32 H32 120.3 . .
O6 C33 H33A 109.5 . .
O6 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
O6 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3 1.9752(14) 8_556
Co1 O2 1.9771(15) .
Co1 N2 2.0521(15) .
Co1 N1 2.0542(15) .
O1 C16 1.225(3) .
O2 C16 1.276(3) .
O3 C1 1.282(2) .
O3 Co1 1.9752(14) 8_455
O4 C1 1.236(2) .
O5 C4 1.366(2) .
O5 C28 1.409(3) .
O6 C11 1.367(3) .
O6 C33 1.418(3) .
O10 C24 1.386(3) .
O10 C7 1.402(3) .
N1 C6 1.337(2) .
N1 C17 1.340(2) .
N2 C26 1.333(3) .
N2 C15 1.332(3) .
C1 C5 1.495(3) .
C2 C6 1.377(3) .
C2 C3 1.390(3) .
C2 H2 0.9300 .
C3 C12 1.390(3) .
C3 C8 1.480(2) .
C4 C13 1.380(3) 7_546
C4 C8 1.406(3) .
C5 C19 1.371(3) .
C5 C22 1.374(3) .
C6 H6 0.9300 .
C7 C29 1.354(4) .
C7 C32 1.365(5) .
C8 C13 1.383(3) .
C9 C10 1.375(3) .
C9 C25 1.388(3) .
C9 C14 1.484(3) .
C10 C15 1.372(3) .
C10 H10 0.9300 .
C11 C21 1.389(3) 5_566
C11 C14 1.394(3) .
C12 C17 1.370(3) .
C12 H12 0.9300 .
C13 C4 1.380(3) 7_546
C13 H13 0.9300 .
C14 C21 1.381(3) .
C15 H15 0.9300 .
C16 C18 1.503(3) .
C17 H17 0.9300 .
C18 C27 1.368(3) .
C18 C30 1.380(3) .
C19 C23 1.380(3) .
C19 H19 0.9300 .
C21 C11 1.389(3) 5_566
C21 H21 0.9300 .
C22 C31 1.371(3) .
C22 H22 0.9300 .
C23 C24 1.374(3) .
C23 H23 0.9300 .
C24 C31 1.370(3) .
C25 C26 1.376(3) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C29 1.394(3) .
C27 H27 0.9300 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29 0.9300 .
C30 C32 1.381(4) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
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 Co1 O2 C16 -76.99(15) 8_556 .
N2 Co1 O2 C16 68.39(15) . .
N1 Co1 O2 C16 173.88(14) . .
O3 Co1 N1 C6 108.80(16) 8_556 .
O2 Co1 N1 C6 -143.08(16) . .
N2 Co1 N1 C6 -30.70(17) . .
O3 Co1 N1 C17 -70.98(17) 8_556 .
O2 Co1 N1 C17 37.14(17) . .
N2 Co1 N1 C17 149.52(16) . .
O3 Co1 N2 C26 139.45(18) 8_556 .
O2 Co1 N2 C26 4.8(2) . .
N1 Co1 N2 C26 -94.55(19) . .
O3 Co1 N2 C15 -41.68(19) 8_556 .
O2 Co1 N2 C15 -176.31(16) . .
N1 Co1 N2 C15 84.32(17) . .
Co1 O3 C1 O4 8.3(2) 8_455 .
Co1 O3 C1 C5 -170.14(15) 8_455 .
C6 C2 C3 C12 -1.7(3) . .
C6 C2 C3 C8 -179.73(19) . .
C28 O5 C4 C13 -0.8(4) . 7_546
C28 O5 C4 C8 -178.4(2) . .
O4 C1 C5 C19 -9.0(3) . .
O3 C1 C5 C19 169.4(2) . .
O4 C1 C5 C22 173.4(2) . .
O3 C1 C5 C22 -8.1(3) . .
C17 N1 C6 C2 0.8(3) . .
Co1 N1 C6 C2 -179.01(15) . .
C3 C2 C6 N1 1.2(3) . .
C24 O10 C7 C29 105.5(3) . .
C24 O10 C7 C32 -77.2(4) . .
O5 C4 C8 C13 178.2(2) . .
C13 C4 C8 C13 0.5(4) 7_546 .
O5 C4 C8 C3 -1.3(3) . .
C13 C4 C8 C3 -178.93(19) 7_546 .
C12 C3 C8 C13 -35.4(3) . .
C2 C3 C8 C13 142.6(2) . .
C12 C3 C8 C4 144.0(2) . .
C2 C3 C8 C4 -38.0(3) . .
C25 C9 C10 C15 -1.2(3) . .
C14 C9 C10 C15 178.1(2) . .
C33 O6 C11 C21 -10.7(4) . 5_566
C33 O6 C11 C14 171.8(3) . .
C2 C3 C12 C17 0.4(3) . .
C8 C3 C12 C17 178.5(2) . .
C4 C8 C13 C4 -0.5(4) . 7_546
C3 C8 C13 C4 178.9(2) . 7_546
O6 C11 C14 C21 176.7(2) . .
C21 C11 C14 C21 -0.9(4) 5_566 .
O6 C11 C14 C9 -1.9(4) . .
C21 C11 C14 C9 -179.5(2) 5_566 .
C10 C9 C14 C21 -38.7(3) . .
C25 C9 C14 C21 140.6(3) . .
C10 C9 C14 C11 140.0(2) . .
C25 C9 C14 C11 -40.8(3) . .
C26 N2 C15 C10 -0.5(3) . .
Co1 N2 C15 C10 -179.43(17) . .
C9 C10 C15 N2 1.5(4) . .
Co1 O2 C16 O1 -1.3(3) . .
Co1 O2 C16 C18 -179.09(14) . .
C6 N1 C17 C12 -2.2(3) . .
Co1 N1 C17 C12 177.64(19) . .
C3 C12 C17 N1 1.6(4) . .
O1 C16 C18 C27 -179.7(2) . .
O2 C16 C18 C27 -1.9(3) . .
O1 C16 C18 C30 -2.6(3) . .
O2 C16 C18 C30 175.2(2) . .
C22 C5 C19 C23 0.6(4) . .
C1 C5 C19 C23 -177.0(3) . .
C11 C14 C21 C11 0.9(4) . 5_566
C9 C14 C21 C11 179.6(2) . 5_566
C19 C5 C22 C31 -0.4(5) . .
C1 C5 C22 C31 177.2(3) . .
C5 C19 C23 C24 0.5(4) . .
C19 C23 C24 C31 -1.8(5) . .
C19 C23 C24 O10 -179.3(3) . .
C7 O10 C24 C31 165.3(3) . .
C7 O10 C24 C23 -17.1(5) . .
C10 C9 C25 C26 0.1(4) . .
C14 C9 C25 C26 -179.2(2) . .
C15 N2 C26 C25 -0.7(4) . .
Co1 N2 C26 C25 178.3(2) . .
C9 C25 C26 N2 0.9(4) . .
C30 C18 C27 C29 -3.0(4) . .
C16 C18 C27 C29 174.2(2) . .
C32 C7 C29 C27 4.4(4) . .
O10 C7 C29 C27 -178.4(2) . .
C18 C27 C29 C7 -0.6(4) . .
C27 C18 C30 C32 2.9(4) . .
C16 C18 C30 C32 -174.3(2) . .
C23 C24 C31 C22 2.0(5) . .
O10 C24 C31 C22 179.7(3) . .
C5 C22 C31 C24 -0.8(5) . .
C29 C7 C32 C30 -4.4(4) . .
O10 C7 C32 C30 178.4(2) . .
C18 C30 C32 C7 0.7(4) . .
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 1.000 0.083 0.250 191 37 ' '
2 1.000 -0.083 0.750 191 37 ' '
3 0.658 0.074 0.122 12 0 ' '
4 0.342 0.074 0.378 12 0 ' '
5 0.485 0.180 0.214 7 0 ' '
6 0.520 0.180 0.297 6 0 ' '
7 0.500 0.417 0.750 191 37 ' '
8 0.985 0.319 0.714 7 0 ' '
9 0.020 0.319 0.797 6 0 ' '
10 0.158 0.426 0.622 12 0 ' '
11 0.842 0.426 0.878 12 0 ' '
12 0.500 0.583 0.250 191 37 ' '
13 0.158 0.574 0.122 12 0 ' '
14 0.842 0.574 0.378 12 0 ' '
15 0.985 0.680 0.214 7 0 ' '
16 0.020 0.680 0.297 6 0 ' '
17 0.485 0.819 0.714 7 0 ' '
18 0.520 0.819 0.797 6 0 ' '
19 0.658 0.926 0.622 12 0 ' '
20 0.342 0.926 0.878 12 0 ' '
