#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:49:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179938 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/33/7023387.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_7023387
loop_
_publ_author_name
'Liu, Bo'
'Zhao, Ruili'
'Yue, Kefen'
'Shi, Jingtao'
'Yu, Yang'
'Wang, Yaoyu'
_publ_section_title
;
 New amine-functionalized cobalt cluster-based frameworks with open metal
 sites and suitable pore sizes: multipoint interactions enhanced CO2
 sorption.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13990
_journal_page_last               13996
_journal_paper_doi               10.1039/c3dt51258d
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C36 H38 Co5 N26 O14'
_chemical_formula_weight         1353.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.060(9)
_cell_angle_beta                 97.194(10)
_cell_angle_gamma                96.254(10)
_cell_formula_units_Z            1
_cell_length_a                   9.275(5)
_cell_length_b                   12.922(7)
_cell_length_c                   14.564(8)
_cell_measurement_reflns_used    170
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      16.997
_cell_measurement_theta_min      3.411
_cell_volume                     1654.0(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_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  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0816
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8095
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    1.297
_exptl_absorpt_correction_T_max  0.7375
_exptl_absorpt_correction_T_min  0.7128
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             683
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.25
_platon_squeeze_details
;
;
_refine_diff_density_max         2.006
_refine_diff_density_min         -0.829
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         5743
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0944
_refine_ls_R_factor_gt           0.0749
_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)+(0.1449P)²+1.1820P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2110
_refine_ls_wR_factor_ref         0.2239
_reflns_number_gt                4029
_reflns_number_total             5743
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51258d.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1653.8(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7023387
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 1.1824(8) 0.4784(5) 0.2227(5) 0.0298(15) Uani 1 1 d .
C2 C 1.2590(7) 0.5907(5) 0.2803(4) 0.0284(14) Uani 1 1 d .
C3 C 1.3092(7) 0.6636(5) 0.2332(5) 0.0296(15) Uani 1 1 d .
H3 H 1.2993 0.6438 0.1663 0.036 Uiso 1 1 calc R
C4 C 1.3754(8) 0.7680(5) 0.2870(5) 0.0322(15) Uani 1 1 d .
C5 C 1.3904(8) 0.7943(5) 0.3840(5) 0.0336(16) Uani 1 1 d .
H5 H 1.4333 0.8639 0.4197 0.040 Uiso 1 1 calc R
C6 C 1.3429(8) 0.7193(5) 0.4320(5) 0.0332(16) Uani 1 1 d .
C7 C 1.2781(8) 0.6176(5) 0.3800(5) 0.0335(16) Uani 1 1 d .
H7 H 1.2470 0.5668 0.4111 0.040 Uiso 1 1 calc R
C8 C 0.6345(8) 0.2491(6) 0.4605(5) 0.0346(16) Uani 1 1 d .
C9 C 0.4326(8) -0.1505(5) 0.2363(5) 0.0376(17) Uani 1 1 d .
C10 C 1.0342(8) 0.2889(5) -0.0885(5) 0.0335(16) Uani 1 1 d .
C11 C 0.9783(9) 0.1198(6) -0.1619(5) 0.0387(17) Uani 1 1 d .
H11 H 0.9556 0.0550 -0.2107 0.046 Uiso 1 1 calc R
C12 C 1.3279(7) 0.2144(5) 0.2182(5) 0.0334(16) Uani 1 1 d .
C13 C 1.2929(8) 0.0530(5) 0.1323(5) 0.0361(17) Uani 1 1 d .
H13 H 1.3062 -0.0187 0.1076 0.043 Uiso 1 1 calc R
C14 C 0.7620(8) 0.0278(5) 0.1352(5) 0.0311(15) Uani 1 1 d .
C15 C 0.8079(7) 0.1932(5) 0.2163(5) 0.0328(16) Uani 1 1 d .
H15 H 0.8067 0.2587 0.2614 0.039 Uiso 1 1 calc R
C16 C 0.7438(9) 0.3518(6) 0.0720(5) 0.0411(18) Uani 1 1 d .
H16 H 0.7358 0.2897 0.0210 0.049 Uiso 1 1 calc R
C17 C 0.6264(14) 0.4827(10) 0.1738(9) 0.099(4) Uani 1 1 d .
H17A H 0.7090 0.4850 0.2215 0.148 Uiso 1 1 calc R
H17B H 0.5374 0.4759 0.2004 0.148 Uiso 1 1 calc R
H17C H 0.6361 0.5482 0.1542 0.148 Uiso 1 1 calc R
C18 C 0.4787(11) 0.3429(12) 0.0335(10) 0.107(5) Uani 1 1 d .
H18A H 0.4407 0.3940 0.0029 0.160 Uiso 1 1 calc R
H18B H 0.4121 0.3243 0.0741 0.160 Uiso 1 1 calc R
H18C H 0.4891 0.2788 -0.0148 0.160 Uiso 1 1 calc R
Co1 Co 1.0000 0.0000 0.0000 0.0233(3) Uani 1 2 d S
Co2 Co 0.55472(9) 0.08115(6) 0.28209(6) 0.0237(3) Uani 1 1 d .
Co3 Co 1.04706(10) 0.29721(6) 0.12683(6) 0.0263(3) Uani 1 1 d .
N1 N 0.8942(6) 0.1805(4) 0.1508(4) 0.0283(12) Uani 1 1 d .
N2 N 0.8645(6) 0.0732(4) 0.0971(4) 0.0274(12) Uani 1 1 d .
N3 N 0.7208(6) 0.1001(4) 0.2107(4) 0.0280(12) Uani 1 1 d .
N4 N 0.6995(9) -0.0800(5) 0.1023(6) 0.072(3) Uani 1 1 d .
H4A H 0.7271 -0.1222 0.0537 0.087 Uiso 1 1 calc R
H4B H 0.6329 -0.1047 0.1304 0.087 Uiso 1 1 calc R
N5 N 0.9876(6) 0.1270(4) -0.0711(4) 0.0310(13) Uani 1 1 d .
N6 N 1.0227(6) 0.2357(4) -0.0218(4) 0.0305(13) Uani 1 1 d .
N7 N 1.0059(7) 0.2181(5) -0.1766(4) 0.0403(15) Uani 1 1 d .
N8 N 1.0691(9) 0.3950(5) -0.0699(5) 0.060(2) Uani 1 1 d .
H8A H 1.0862 0.4350 -0.0113 0.072 Uiso 1 1 calc R
H8B H 1.0746 0.4241 -0.1165 0.072 Uiso 1 1 calc R
N9 N 1.1876(6) 0.0937(4) 0.0971(4) 0.0276(12) Uani 1 1 d .
N10 N 1.2064(6) 0.2024(4) 0.1511(4) 0.0287(12) Uani 1 1 d .
N11 N 0.3841(6) 0.1221(4) 0.2087(4) 0.0296(13) Uani 1 1 d .
N12 N 1.3821(8) 0.3098(5) 0.2850(5) 0.063(2) Uani 1 1 d .
H12A H 1.4594 0.3143 0.3260 0.075 Uiso 1 1 calc R
H12B H 1.3392 0.3658 0.2863 0.075 Uiso 1 1 calc R
N13 N 0.6217(8) 0.3911(6) 0.0916(5) 0.0582(19) Uani 1 1 d .
O1 O 1.1803(5) 0.4472(4) 0.1333(3) 0.0375(12) Uani 1 1 d .
O2 O 1.1213(5) 0.4174(3) 0.2657(3) 0.0352(11) Uani 1 1 d .
O3 O 0.5024(6) -0.0626(4) 0.2936(4) 0.0458(14) Uani 1 1 d .
O4 O 0.4107(7) -0.1722(4) 0.1487(4) 0.0535(16) Uani 1 1 d .
O5 O 0.5955(6) 0.1480(4) 0.4193(3) 0.0444(13) Uani 1 1 d .
O6 O 0.6532(7) 0.3184(4) 0.4171(4) 0.0576(16) Uani 1 1 d .
O7 O 0.8668(6) 0.3920(4) 0.1168(4) 0.0420(12) Uani 1 1 d .
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
O1 C1 O2 120.6(5) . .
O1 C1 C2 120.2(6) . .
O2 C1 C2 119.1(6) . .
O1 C1 Co3 59.8(3) . .
O2 C1 Co3 60.9(3) . .
C2 C1 Co3 177.7(5) . .
C3 C2 C7 121.1(6) . .
C3 C2 C1 119.8(6) . .
C7 C2 C1 119.1(6) . .
C2 C3 C4 119.3(6) . .
C2 C3 H3 120.4 . .
C4 C3 H3 120.4 . .
C5 C4 C3 119.2(6) . .
C5 C4 C9 120.7(6) . 1_665
C3 C4 C9 120.1(6) . 1_665
C4 C5 C6 121.5(6) . .
C4 C5 H5 119.2 . .
C6 C5 H5 119.2 . .
C7 C6 C5 119.5(6) . .
C7 C6 C8 120.7(6) . 2_766
C5 C6 C8 119.8(6) . 2_766
C6 C7 C2 119.4(6) . .
C6 C7 H7 120.3 . .
C2 C7 H7 120.3 . .
O6 C8 O5 124.2(6) . .
O6 C8 C6 120.4(6) . 2_766
O5 C8 C6 115.5(6) . 2_766
O4 C9 O3 125.9(6) . .
O4 C9 C4 120.5(6) . 1_445
O3 C9 C4 113.7(6) . 1_445
N8 C10 N6 124.8(6) . .
N8 C10 N7 125.5(6) . .
N6 C10 N7 109.7(6) . .
N5 C11 N7 111.2(6) . .
N5 C11 H11 124.4 . .
N7 C11 H11 124.4 . .
N11 C12 N12 125.7(7) 1_655 .
N11 C12 N10 111.6(6) 1_655 .
N12 C12 N10 122.7(7) . .
N9 C13 N11 114.8(6) . 1_655
N9 C13 H13 122.6 . .
N11 C13 H13 122.6 1_655 .
N2 C14 N3 112.4(5) . .
N2 C14 N4 124.5(6) . .
N3 C14 N4 123.1(6) . .
N1 C15 N3 112.3(6) . .
N1 C15 H15 123.9 . .
N3 C15 H15 123.9 . .
O7 C16 N13 124.3(8) . .
O7 C16 H16 117.9 . .
N13 C16 H16 117.9 . .
N13 C17 H17A 109.5 . .
N13 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
N13 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N13 C18 H18A 109.5 . .
N13 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N13 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N2 Co1 N2 180.0(4) 2_755 .
N2 Co1 N9 89.2(2) 2_755 2_755
N2 Co1 N9 90.8(2) . 2_755
N2 Co1 N9 90.8(2) 2_755 .
N2 Co1 N9 89.2(2) . .
N9 Co1 N9 180.0(5) 2_755 .
N2 Co1 N5 90.3(2) 2_755 2_755
N2 Co1 N5 89.7(2) . 2_755
N9 Co1 N5 90.0(2) 2_755 2_755
N9 Co1 N5 90.0(2) . 2_755
N2 Co1 N5 89.7(2) 2_755 .
N2 Co1 N5 90.3(2) . .
N9 Co1 N5 90.0(2) 2_755 .
N9 Co1 N5 90.0(2) . .
N5 Co1 N5 180.0(2) 2_755 .
O3 Co2 O5 94.5(2) . .
O3 Co2 N3 115.7(2) . .
O5 Co2 N3 115.7(2) . .
O3 Co2 N11 109.1(2) . .
O5 Co2 N11 116.8(2) . .
N3 Co2 N11 105.0(2) . .
N10 Co3 N6 93.1(2) . .
N10 Co3 N1 87.6(2) . .
N6 Co3 N1 97.2(2) . .
N10 Co3 O1 101.4(2) . .
N6 Co3 O1 95.40(18) . .
N1 Co3 O1 164.0(2) . .
N10 Co3 O2 92.95(19) . .
N6 Co3 O2 155.82(18) . .
N1 Co3 O2 106.37(18) . .
O1 Co3 O2 60.45(17) . .
N10 Co3 O7 172.5(2) . .
N6 Co3 O7 92.4(2) . .
N1 Co3 O7 86.7(2) . .
O1 Co3 O7 83.1(2) . .
O2 Co3 O7 84.02(19) . .
N10 Co3 C1 99.1(2) . .
N6 Co3 C1 125.6(2) . .
N1 Co3 C1 135.8(2) . .
O1 Co3 C1 30.20(19) . .
O2 Co3 C1 30.26(19) . .
O7 Co3 C1 81.7(2) . .
C15 N1 N2 107.3(5) . .
C15 N1 Co3 127.9(4) . .
N2 N1 Co3 124.8(4) . .
C14 N2 N1 105.5(5) . .
C14 N2 Co1 129.6(4) . .
N1 N2 Co1 123.3(4) . .
C15 N3 C14 102.5(5) . .
C15 N3 Co2 127.5(4) . .
C14 N3 Co2 129.3(4) . .
C14 N4 H4A 120.0 . .
C14 N4 H4B 120.0 . .
H4A N4 H4B 120.0 . .
C11 N5 N6 107.3(5) . .
C11 N5 Co1 128.7(5) . .
N6 N5 Co1 122.6(4) . .
C10 N6 N5 106.3(5) . .
C10 N6 Co3 129.0(4) . .
N5 N6 Co3 124.7(4) . .
C10 N7 C11 105.5(5) . .
C10 N8 H8A 120.0 . .
C10 N8 H8B 120.0 . .
H8A N8 H8B 120.0 . .
C13 N9 N10 106.0(5) . .
C13 N9 Co1 123.8(4) . .
N10 N9 Co1 128.7(4) . .
C12 N10 N9 104.8(5) . .
C12 N10 Co3 135.4(4) . .
N9 N10 Co3 119.3(4) . .
C12 N11 C13 102.8(6) 1_455 1_455
C12 N11 Co2 132.9(5) 1_455 .
C13 N11 Co2 124.2(5) 1_455 .
C12 N12 H12A 120.0 . .
C12 N12 H12B 120.0 . .
H12A N12 H12B 120.0 . .
C16 N13 C17 120.2(8) . .
C16 N13 C18 122.1(8) . .
C17 N13 C18 117.7(9) . .
C1 O1 Co3 90.0(4) . .
C1 O2 Co3 88.8(4) . .
C9 O3 Co2 134.1(5) . .
C8 O5 Co2 125.8(4) . .
C16 O7 Co3 122.7(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.255(8) .
C1 O2 1.258(8) .
C1 C2 1.519(8) .
C1 Co3 2.496(6) .
C2 C3 1.377(8) .
C2 C7 1.385(9) .
C3 C4 1.400(8) .
C3 H3 0.9300 .
C4 C5 1.349(9) .
C4 C9 1.522(9) 1_665
C5 C6 1.400(9) .
C5 H5 0.9300 .
C6 C7 1.363(9) .
C6 C8 1.493(9) 2_766
C7 H7 0.9300 .
C8 O6 1.232(8) .
C8 O5 1.277(8) .
C8 C6 1.493(9) 2_766
C9 O4 1.218(8) .
C9 O3 1.272(8) .
C9 C4 1.522(9) 1_445
C10 N8 1.322(9) .
C10 N6 1.335(8) .
C10 N7 1.344(9) .
C11 N5 1.292(8) .
C11 N7 1.346(9) .
C11 H11 0.9300 .
C12 N11 1.334(9) 1_655
C12 N12 1.356(9) .
C12 N10 1.362(8) .
C13 N9 1.273(9) .
C13 N11 1.354(8) 1_655
C13 H13 0.9300 .
C14 N2 1.318(8) .
C14 N3 1.370(8) .
C14 N4 1.383(9) .
C15 N1 1.310(8) .
C15 N3 1.352(8) .
C15 H15 0.9300 .
C16 O7 1.227(9) .
C16 N13 1.323(10) .
C16 H16 0.9300 .
C17 N13 1.440(13) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 N13 1.459(12) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
Co1 N2 2.117(5) 2_755
Co1 N2 2.117(5) .
Co1 N9 2.128(5) 2_755
Co1 N9 2.128(5) .
Co1 N5 2.162(5) 2_755
Co1 N5 2.162(5) .
Co2 O3 1.924(5) .
Co2 O5 1.930(5) .
Co2 N3 1.991(5) .
Co2 N11 1.995(5) .
Co3 N10 2.074(6) .
Co3 N6 2.077(5) .
Co3 N1 2.083(5) .
Co3 O1 2.156(5) .
Co3 O2 2.182(4) .
Co3 O7 2.190(5) .
N1 N2 1.381(7) .
N4 H4A 0.8600 .
N4 H4B 0.8600 .
N5 N6 1.382(7) .
N8 H8A 0.8600 .
N8 H8B 0.8600 .
N9 N10 1.399(7) .
N11 C12 1.334(9) 1_455
N11 C13 1.354(8) 1_455
N12 H12A 0.8600 .
N12 H12B 0.8600 .
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 8.7(10) . .
O2 C1 C2 C3 -171.4(6) . .
Co3 C1 C2 C3 -80(12) . .
O1 C1 C2 C7 -170.9(7) . .
O2 C1 C2 C7 9.1(10) . .
Co3 C1 C2 C7 100(12) . .
C7 C2 C3 C4 -2.5(11) . .
C1 C2 C3 C4 177.9(6) . .
C2 C3 C4 C5 0.9(11) . .
C2 C3 C4 C9 179.5(6) . 1_665
C3 C4 C5 C6 0.7(11) . .
C9 C4 C5 C6 -177.9(7) 1_665 .
C4 C5 C6 C7 -0.8(11) . .
C4 C5 C6 C8 178.3(7) . 2_766
C5 C6 C7 C2 -0.7(11) . .
C8 C6 C7 C2 -179.8(7) 2_766 .
C3 C2 C7 C6 2.4(11) . .
C1 C2 C7 C6 -178.0(7) . .
O1 C1 Co3 N10 97.1(4) . .
O2 C1 Co3 N10 -80.2(4) . .
C2 C1 Co3 N10 -172(12) . .
O1 C1 Co3 N6 -3.4(5) . .
O2 C1 Co3 N6 179.3(4) . .
C2 C1 Co3 N6 87(12) . .
O1 C1 Co3 N1 -166.9(4) . .
O2 C1 Co3 N1 15.8(6) . .
C2 C1 Co3 N1 -76(12) . .
O2 C1 Co3 O1 -177.3(7) . .
C2 C1 Co3 O1 90(12) . .
O1 C1 Co3 O2 177.3(7) . .
C2 C1 Co3 O2 -92(12) . .
O1 C1 Co3 O7 -90.4(4) . .
O2 C1 Co3 O7 92.3(4) . .
C2 C1 Co3 O7 0(12) . .
N3 C15 N1 N2 0.2(8) . .
N3 C15 N1 Co3 179.3(4) . .
N10 Co3 N1 C15 121.0(6) . .
N6 Co3 N1 C15 -146.2(6) . .
O1 Co3 N1 C15 -4.1(12) . .
O2 Co3 N1 C15 28.6(6) . .
O7 Co3 N1 C15 -54.2(6) . .
C1 Co3 N1 C15 20.4(7) . .
N10 Co3 N1 N2 -60.1(5) . .
N6 Co3 N1 N2 32.7(5) . .
O1 Co3 N1 N2 174.8(6) . .
O2 Co3 N1 N2 -152.5(5) . .
O7 Co3 N1 N2 124.7(5) . .
C1 Co3 N1 N2 -160.7(4) . .
N3 C14 N2 N1 0.9(8) . .
N4 C14 N2 N1 179.4(7) . .
N3 C14 N2 Co1 166.4(4) . .
N4 C14 N2 Co1 -15.1(11) . .
C15 N1 N2 C14 -0.7(7) . .
Co3 N1 N2 C14 -179.8(5) . .
C15 N1 N2 Co1 -167.3(5) . .
Co3 N1 N2 Co1 13.6(7) . .
N2 Co1 N2 C14 115(100) 2_755 .
N9 Co1 N2 C14 53.7(6) 2_755 .
N9 Co1 N2 C14 -126.3(6) . .
N5 Co1 N2 C14 -36.4(6) 2_755 .
N5 Co1 N2 C14 143.6(6) . .
N2 Co1 N2 N1 -81(100) 2_755 .
N9 Co1 N2 N1 -143.1(5) 2_755 .
N9 Co1 N2 N1 36.9(5) . .
N5 Co1 N2 N1 126.8(5) 2_755 .
N5 Co1 N2 N1 -53.2(5) . .
N1 C15 N3 C14 0.3(8) . .
N1 C15 N3 Co2 -171.5(4) . .
N2 C14 N3 C15 -0.8(8) . .
N4 C14 N3 C15 -179.3(7) . .
N2 C14 N3 Co2 170.8(5) . .
N4 C14 N3 Co2 -7.7(10) . .
O3 Co2 N3 C15 -158.1(5) . .
O5 Co2 N3 C15 -48.9(6) . .
N11 Co2 N3 C15 81.5(6) . .
O3 Co2 N3 C14 32.3(6) . .
O5 Co2 N3 C14 141.4(5) . .
N11 Co2 N3 C14 -88.1(6) . .
N7 C11 N5 N6 0.2(9) . .
N7 C11 N5 Co1 -166.2(5) . .
N2 Co1 N5 C11 38.1(7) 2_755 .
N2 Co1 N5 C11 -141.9(7) . .
N9 Co1 N5 C11 -51.0(7) 2_755 .
N9 Co1 N5 C11 129.0(7) . .
N5 Co1 N5 C11 167(44) 2_755 .
N2 Co1 N5 N6 -126.4(5) 2_755 .
N2 Co1 N5 N6 53.6(5) . .
N9 Co1 N5 N6 144.4(5) 2_755 .
N9 Co1 N5 N6 -35.6(5) . .
N5 Co1 N5 N6 3(44) 2_755 .
N8 C10 N6 N5 -178.8(7) . .
N7 C10 N6 N5 0.9(8) . .
N8 C10 N6 Co3 2.1(11) . .
N7 C10 N6 Co3 -178.2(5) . .
C11 N5 N6 C10 -0.7(8) . .
Co1 N5 N6 C10 166.7(5) . .
C11 N5 N6 Co3 178.4(5) . .
Co1 N5 N6 Co3 -14.2(7) . .
N10 Co3 N6 C10 -124.8(6) . .
N1 Co3 N6 C10 147.2(6) . .
O1 Co3 N6 C10 -23.0(6) . .
O2 Co3 N6 C10 -20.5(10) . .
O7 Co3 N6 C10 60.2(6) . .
C1 Co3 N6 C10 -21.3(7) . .
N10 Co3 N6 N5 56.3(5) . .
N1 Co3 N6 N5 -31.7(5) . .
O1 Co3 N6 N5 158.1(5) . .
O2 Co3 N6 N5 160.6(5) . .
O7 Co3 N6 N5 -118.7(5) . .
C1 Co3 N6 N5 159.8(5) . .
N8 C10 N7 C11 178.9(8) . .
N6 C10 N7 C11 -0.7(8) . .
N5 C11 N7 C10 0.3(9) . .
N11 C13 N9 N10 1.6(8) 1_655 .
N11 C13 N9 Co1 -165.3(4) 1_655 .
N2 Co1 N9 C13 -57.0(6) 2_755 .
N2 Co1 N9 C13 123.0(6) . .
N9 Co1 N9 C13 163(100) 2_755 .
N5 Co1 N9 C13 33.2(6) 2_755 .
N5 Co1 N9 C13 -146.8(6) . .
N2 Co1 N9 N10 139.2(5) 2_755 .
N2 Co1 N9 N10 -40.8(5) . .
N9 Co1 N9 N10 -1(100) 2_755 .
N5 Co1 N9 N10 -130.5(5) 2_755 .
N5 Co1 N9 N10 49.5(5) . .
N11 C12 N10 N9 0.3(7) 1_655 .
N12 C12 N10 N9 -180.0(7) . .
N11 C12 N10 Co3 171.8(4) 1_655 .
N12 C12 N10 Co3 -8.5(11) . .
C13 N9 N10 C12 -1.1(7) . .
Co1 N9 N10 C12 164.9(4) . .
C13 N9 N10 Co3 -174.2(4) . .
Co1 N9 N10 Co3 -8.2(7) . .
N6 Co3 N10 C12 146.9(6) . .
N1 Co3 N10 C12 -116.0(6) . .
O1 Co3 N10 C12 50.7(6) . .
O2 Co3 N10 C12 -9.7(6) . .
O7 Co3 N10 C12 -75.5(17) . .
C1 Co3 N10 C12 20.1(6) . .
N6 Co3 N10 N9 -42.6(4) . .
N1 Co3 N10 N9 54.5(4) . .
O1 Co3 N10 N9 -138.8(4) . .
O2 Co3 N10 N9 160.8(4) . .
O7 Co3 N10 N9 95.0(15) . .
C1 Co3 N10 N9 -169.4(4) . .
O3 Co2 N11 C12 140.7(6) . 1_455
O5 Co2 N11 C12 35.1(7) . 1_455
N3 Co2 N11 C12 -94.7(6) . 1_455
O3 Co2 N11 C13 -38.2(6) . 1_455
O5 Co2 N11 C13 -143.8(5) . 1_455
N3 Co2 N11 C13 86.4(6) . 1_455
O7 C16 N13 C17 -4.3(13) . .
O7 C16 N13 C18 177.2(9) . .
O2 C1 O1 Co3 2.8(7) . .
C2 C1 O1 Co3 -177.3(6) . .
N10 Co3 O1 C1 -88.5(4) . .
N6 Co3 O1 C1 177.2(4) . .
N1 Co3 O1 C1 35.0(9) . .
O2 Co3 O1 C1 -1.6(4) . .
O7 Co3 O1 C1 85.5(4) . .
O1 C1 O2 Co3 -2.7(7) . .
C2 C1 O2 Co3 177.3(6) . .
N10 Co3 O2 C1 103.0(4) . .
N6 Co3 O2 C1 -1.3(8) . .
N1 Co3 O2 C1 -168.6(4) . .
O1 Co3 O2 C1 1.6(4) . .
O7 Co3 O2 C1 -83.8(4) . .
O4 C9 O3 Co2 19.8(13) . .
C4 C9 O3 Co2 -160.5(5) 1_445 .
O5 Co2 O3 C9 162.3(7) . .
N3 Co2 O3 C9 -76.3(8) . .
N11 Co2 O3 C9 41.8(8) . .
O6 C8 O5 Co2 -0.9(11) . .
C6 C8 O5 Co2 179.1(5) 2_766 .
O3 Co2 O5 C8 -178.2(6) . .
N3 Co2 O5 C8 60.4(7) . .
N11 Co2 O5 C8 -64.1(7) . .
N13 C16 O7 Co3 153.4(6) . .
N10 Co3 O7 C16 -84.2(16) . .
N6 Co3 O7 C16 53.5(6) . .
N1 Co3 O7 C16 -43.6(6) . .
O1 Co3 O7 C16 148.6(6) . .
O2 Co3 O7 C16 -150.5(6) . .
C1 Co3 O7 C16 179.1(6) . .
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
1 0.004 0.011 0.500 495.9 175.5
