#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:01:41 +0100 (vie 25 de mar de 2016) $
#$Revision: 180000 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/94/7029449.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_7029449
loop_
_publ_author_name
'Cui, Lin'
'Yang, Guo-Ping'
'Wu, Wei-Ping'
'Miao, Hui-Hui'
'Shi, Qi-Zhen'
'Wang, Yao-Yu'
_publ_section_title
;
 Solvents and auxiliary ligands co-regulate three antiferromagnetic Co(ii)
 MOFs based on a semi-rigid carboxylate ligand.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5823
_journal_page_last               5830
_journal_paper_doi               10.1039/c3dt53342e
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C27 H23 Co2 N2 O10'
_chemical_formula_weight         653.33
_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                107.453(7)
_cell_angle_beta                 105.230(8)
_cell_angle_gamma                97.342(8)
_cell_formula_units_Z            2
_cell_length_a                   10.3914(7)
_cell_length_b                   12.7364(9)
_cell_length_c                   13.0153(9)
_cell_measurement_reflns_used    1324
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.925
_cell_measurement_theta_min      2.246
_cell_volume                     1545.1(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruck 1000 CCD area detector'
_diffrn_measurement_method       'ω 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  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0708
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7913
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    1.127
_exptl_absorpt_correction_T_max  0.7977
_exptl_absorpt_correction_T_min  0.7285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             666
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.21
_platon_squeeze_details
;
;
_refine_diff_density_max         2.896
_refine_diff_density_min         -0.532
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5406
_refine_ls_number_restraints     249
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0873
_refine_ls_R_factor_gt           0.0678
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1250P)²+0.3595P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1931
_refine_ls_wR_factor_ref         0.2093
_reflns_number_gt                3916
_reflns_number_total             5406
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53342e.txt
_cod_data_source_block           1-sr
_cod_original_cell_volume        1545.10(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7029449
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
Co1 Co 0.04181(7) 0.02983(6) 0.40188(6) 0.0249(2) Uani 1 1 d U
Co2 Co -0.08117(7) 0.21534(6) 0.60233(6) 0.0259(2) Uani 1 1 d U
O1 O -0.1378(4) 0.0713(3) 0.3212(3) 0.0361(10) Uani 1 1 d U
O2 O -0.2012(4) 0.2006(3) 0.4442(3) 0.0332(9) Uani 1 1 d U
O3 O -0.4103(4) -0.0320(4) 0.3549(4) 0.0467(11) Uani 1 1 d U
O4 O -0.6228(5) -0.0038(5) 0.3106(5) 0.0688(16) Uani 1 1 d U
H4A H -0.6320 -0.0412 0.3508 0.083 Uiso 1 1 d R
O5 O -0.1881(4) 0.2523(3) 0.2055(3) 0.0376(10) Uani 1 1 d U
O6 O -0.0175(4) 0.0641(3) -0.2335(3) 0.0339(9) Uani 1 1 d U
O7 O -0.0119(4) 0.2422(3) -0.2258(3) 0.0395(10) Uani 1 1 d U
O15 O -0.0479(4) -0.1094(3) 0.4328(3) 0.0261(8) Uani 1 1 d U
H15A H -0.1195 -0.1358 0.3783 0.039 Uiso 1 1 d R
O17 O 0.2230(4) -0.0492(3) 0.4361(4) 0.0328(9) Uani 1 1 d DU
N1 N 0.9328(5) 0.6445(4) 0.3842(4) 0.0304(11) Uani 1 1 d U
N2 N 0.1775(5) 0.1637(4) 0.3961(4) 0.0337(11) Uani 1 1 d U
C1 C -0.2153(6) 0.1333(5) 0.3476(5) 0.0293(12) Uani 1 1 d U
C2 C -0.3403(6) 0.1309(5) 0.2529(5) 0.0306(13) Uani 1 1 d U
C3 C -0.4721(6) 0.0730(5) 0.2352(5) 0.0353(14) Uani 1 1 d U
C4 C -0.5793(7) 0.0763(7) 0.1469(6) 0.0515(18) Uani 1 1 d U
H4 H -0.6682 0.0403 0.1356 0.062 Uiso 1 1 calc R
C5 C -0.5548(7) 0.1334(7) 0.0747(6) 0.057(2) Uani 1 1 d U
H5 H -0.6266 0.1328 0.0141 0.068 Uiso 1 1 calc R
C6 C -0.4247(7) 0.1901(6) 0.0937(6) 0.0505(18) Uani 1 1 d U
H6 H -0.4079 0.2289 0.0467 0.061 Uiso 1 1 calc R
C7 C -0.3211(6) 0.1890(5) 0.1812(5) 0.0354(14) Uani 1 1 d U
C8 C -0.5059(6) 0.0095(5) 0.3076(5) 0.0399(15) Uani 1 1 d U
C9 C -0.1409(6) 0.2320(5) 0.1129(5) 0.0354(14) Uani 1 1 d U
C10 C -0.1118(7) 0.3197(5) 0.0749(5) 0.0441(16) Uani 1 1 d U
H10 H -0.1206 0.3918 0.1123 0.053 Uiso 1 1 calc R
C11 C -0.0694(7) 0.2981(5) -0.0197(5) 0.0435(16) Uani 1 1 d U
H11 H -0.0504 0.3565 -0.0463 0.052 Uiso 1 1 calc R
C12 C -0.0543(6) 0.1916(5) -0.0762(5) 0.0338(13) Uani 1 1 d U
C13 C -0.0831(6) 0.1053(5) -0.0348(5) 0.0338(13) Uani 1 1 d U
H13 H -0.0720 0.0336 -0.0706 0.041 Uiso 1 1 calc R
C14 C -0.1278(6) 0.1248(5) 0.0584(5) 0.0380(14) Uani 1 1 d U
H14 H -0.1488 0.0664 0.0844 0.046 Uiso 1 1 calc R
C15 C -0.0257(5) 0.1643(5) -0.1864(5) 0.0310(13) Uani 1 1 d U
C25 C 0.9403(7) 0.6172(5) 0.4775(6) 0.0425(15) Uani 1 1 d U
H25 H 1.0182 0.6510 0.5407 0.051 Uiso 1 1 calc R
C24 C 0.8377(7) 0.5413(6) 0.4834(7) 0.0491(17) Uani 1 1 d U
H24 H 0.8473 0.5251 0.5497 0.059 Uiso 1 1 calc R
C23 C 0.7216(6) 0.4898(5) 0.3919(6) 0.0421(15) Uani 1 1 d U
C27 C 0.7137(7) 0.5171(6) 0.2936(6) 0.0482(17) Uani 1 1 d U
H27 H 0.6374 0.4843 0.2290 0.058 Uiso 1 1 calc R
C26 C 0.8206(6) 0.5927(5) 0.2953(6) 0.0411(15) Uani 1 1 d U
H26 H 0.8146 0.6092 0.2295 0.049 Uiso 1 1 calc R
C22 C 0.6118(7) 0.4140(6) 0.4039(7) 0.0537(19) Uani 1 1 d U
H22 H 0.6372 0.3866 0.4632 0.064 Uiso 1 1 calc R
C21 C 0.4845(7) 0.3806(6) 0.3424(7) 0.0548(19) Uani 1 1 d U
H21 H 0.4582 0.4037 0.2801 0.066 Uiso 1 1 calc R
C18 C 0.3766(6) 0.3084(5) 0.3626(6) 0.0434(16) Uani 1 1 d U
C17 C 0.4005(7) 0.2847(6) 0.4636(7) 0.0532(19) Uani 1 1 d U
H17 H 0.4833 0.3174 0.5218 0.064 Uiso 1 1 calc R
C16 C 0.2992(6) 0.2121(5) 0.4753(6) 0.0424(16) Uani 1 1 d U
H16 H 0.3168 0.1961 0.5422 0.051 Uiso 1 1 calc R
C20 C 0.1553(7) 0.1905(5) 0.3014(6) 0.0421(15) Uani 1 1 d U
H20 H 0.0705 0.1590 0.2455 0.051 Uiso 1 1 calc R
C19 C 0.2501(7) 0.2612(6) 0.2822(6) 0.0503(18) Uani 1 1 d U
H19 H 0.2287 0.2770 0.2153 0.060 Uiso 1 1 calc R
O28 O -0.2234(6) 0.3130(5) 0.6552(6) 0.097(2) Uani 1 1 d U
H17A H 0.252(10) -0.051(9) 0.381(5) 0.145 Uiso 1 1 d D
H17B H 0.282(9) 0.003(7) 0.491(5) 0.145 Uiso 1 1 d 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'
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
O15 Co1 O6 173.62(14) 2_556 2
O15 Co1 O15 80.83(15) 2_556 .
O6 Co1 O15 93.37(15) 2 .
O15 Co1 N2 95.49(17) 2_556 .
O6 Co1 N2 90.78(18) 2 .
O15 Co1 N2 165.51(17) . .
O15 Co1 O1 97.33(15) 2_556 .
O6 Co1 O1 80.85(16) 2 .
O15 Co1 O1 98.65(15) . .
N2 Co1 O1 95.71(17) . .
O15 Co1 O17 99.12(15) 2_556 .
O6 Co1 O17 82.40(15) 2 .
O15 Co1 O17 80.41(14) . .
N2 Co1 O17 86.39(16) . .
O1 Co1 O17 163.14(16) . .
O2 Co2 O15 102.94(15) . 2_556
O2 Co2 O7 162.58(17) . 1_556
O15 Co2 O7 92.75(16) 2_556 1_556
O2 Co2 N1 93.86(17) . 2_666
O15 Co2 N1 90.29(16) 2_556 2_666
O7 Co2 N1 93.56(17) 1_556 2_666
O2 Co2 O28 82.4(2) . .
O15 Co2 O28 171.5(2) 2_556 .
O7 Co2 O28 81.2(2) 1_556 .
N1 Co2 O28 96.1(2) 2_666 .
O2 Co2 O17 82.56(15) . 2_556
O15 Co2 O17 81.05(14) 2_556 2_556
O7 Co2 O17 92.62(15) 1_556 2_556
N1 Co2 O17 169.59(17) 2_666 2_556
O28 Co2 O17 93.1(2) . 2_556
C1 O1 Co1 138.2(4) . .
C1 O2 Co2 131.7(4) . .
C8 O4 H4A 110.0 . .
C9 O5 C7 114.0(4) . .
C15 O6 Co1 132.1(4) . 2
C15 O7 Co2 122.7(4) . 1_554
Co2 O15 Co1 120.68(17) 2_556 2_556
Co2 O15 Co1 100.27(15) 2_556 .
Co1 O15 Co1 99.17(15) 2_556 .
Co2 O15 H15A 105.8 2_556 .
Co1 O15 H15A 123.7 2_556 .
Co1 O15 H15A 102.1 . .
Co2 O17 Co1 90.04(14) 2_556 .
Co2 O17 H17A 110(7) 2_556 .
Co1 O17 H17A 103(8) . .
Co2 O17 H17B 140(7) 2_556 .
Co1 O17 H17B 103(8) . .
H17A O17 H17B 103(3) . .
C26 N1 C25 116.4(5) . .
C26 N1 Co2 124.4(4) . 2_666
C25 N1 Co2 118.3(4) . 2_666
C16 N2 C20 116.3(5) . .
C16 N2 Co1 122.4(4) . .
C20 N2 Co1 120.3(4) . .
O1 C1 O2 126.9(5) . .
O1 C1 C2 117.7(5) . .
O2 C1 C2 115.4(5) . .
C7 C2 C3 118.8(5) . .
C7 C2 C1 118.2(5) . .
C3 C2 C1 123.0(5) . .
C4 C3 C2 118.6(6) . .
C4 C3 C8 117.6(6) . .
C2 C3 C8 123.7(5) . .
C3 C4 C5 120.6(6) . .
C3 C4 H4 119.7 . .
C5 C4 H4 119.7 . .
C6 C5 C4 119.9(7) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C7 C6 C5 119.4(6) . .
C7 C6 H6 120.3 . .
C5 C6 H6 120.3 . .
C6 C7 C2 122.6(6) . .
C6 C7 O5 119.9(5) . .
C2 C7 O5 117.4(5) . .
O4 C8 O3 126.5(6) . .
O4 C8 C3 117.2(6) . .
O3 C8 C3 116.2(5) . .
C14 C9 C10 121.3(6) . .
C14 C9 O5 119.9(5) . .
C10 C9 O5 118.8(5) . .
C11 C10 C9 118.6(6) . .
C11 C10 H10 120.7 . .
C9 C10 H10 120.7 . .
C10 C11 C12 121.7(6) . .
C10 C11 H11 119.1 . .
C12 C11 H11 119.1 . .
C11 C12 C13 118.2(5) . .
C11 C12 C15 121.8(5) . .
C13 C12 C15 119.5(5) . .
C14 C13 C12 120.9(6) . .
C14 C13 H13 119.6 . .
C12 C13 H13 119.6 . .
C9 C14 C13 119.3(5) . .
C9 C14 H14 120.3 . .
C13 C14 H14 120.3 . .
O7 C15 O6 124.9(5) . .
O7 C15 C12 117.7(5) . .
O6 C15 C12 117.4(5) . .
N1 C25 C24 122.8(6) . .
N1 C25 H25 118.6 . .
C24 C25 H25 118.6 . .
C23 C24 C25 120.2(6) . .
C23 C24 H24 119.9 . .
C25 C24 H24 119.9 . .
C24 C23 C27 117.2(6) . .
C24 C23 C22 118.4(6) . .
C27 C23 C22 124.4(6) . .
C26 C27 C23 118.5(6) . .
C26 C27 H27 120.7 . .
C23 C27 H27 120.7 . .
N1 C26 C27 124.8(6) . .
N1 C26 H26 117.6 . .
C27 C26 H26 117.6 . .
C21 C22 C23 128.1(7) . .
C21 C22 H22 116.0 . .
C23 C22 H22 116.0 . .
C22 C21 C18 125.5(7) . .
C22 C21 H21 117.2 . .
C18 C21 H21 117.2 . .
C19 C18 C17 117.4(6) . .
C19 C18 C21 121.1(6) . .
C17 C18 C21 121.5(6) . .
C16 C17 C18 119.0(6) . .
C16 C17 H17 120.5 . .
C18 C17 H17 120.5 . .
N2 C16 C17 123.6(6) . .
N2 C16 H16 118.2 . .
C17 C16 H16 118.2 . .
N2 C20 C19 124.0(6) . .
N2 C20 H20 118.0 . .
C19 C20 H20 118.0 . .
C18 C19 C20 119.5(6) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O15 2.065(4) 2_556
Co1 O6 2.088(4) 2
Co1 O15 2.092(3) .
Co1 N2 2.102(5) .
Co1 O1 2.102(4) .
Co1 O17 2.252(4) .
Co2 O2 2.046(4) .
Co2 O15 2.060(4) 2_556
Co2 O7 2.066(4) 1_556
Co2 N1 2.136(4) 2_666
Co2 O28 2.167(6) .
Co2 O17 2.254(4) 2_556
O1 C1 1.239(7) .
O2 C1 1.250(7) .
O3 C8 1.285(8) .
O4 C8 1.218(7) .
O4 H4A 0.8195 .
O5 C9 1.384(7) .
O5 C7 1.411(7) .
O6 C15 1.264(7) .
O6 Co1 2.087(4) 2
O7 C15 1.255(7) .
O7 Co2 2.066(4) 1_554
O15 Co2 2.060(4) 2_556
O15 Co1 2.065(4) 2_556
O15 H15A 0.8282 .
O17 Co2 2.254(4) 2_556
O17 H17A 0.85(2) .
O17 H17B 0.84(2) .
N1 C26 1.330(8) .
N1 C25 1.345(8) .
N1 Co2 2.136(4) 2_666
N2 C16 1.333(8) .
N2 C20 1.346(8) .
C1 C2 1.527(8) .
C2 C7 1.391(8) .
C2 C3 1.395(8) .
C3 C4 1.390(9) .
C3 C8 1.492(8) .
C4 C5 1.401(10) .
C4 H4 0.9300 .
C5 C6 1.370(10) .
C5 H5 0.9300 .
C6 C7 1.351(9) .
C6 H6 0.9300 .
C9 C14 1.379(8) .
C9 C10 1.381(8) .
C10 C11 1.377(9) .
C10 H10 0.9300 .
C11 C12 1.386(8) .
C11 H11 0.9300 .
C12 C13 1.395(8) .
C12 C15 1.489(8) .
C13 C14 1.376(8) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C25 C24 1.379(8) .
C25 H25 0.9300 .
C24 C23 1.371(10) .
C24 H24 0.9300 .
C23 C27 1.408(9) .
C23 C22 1.470(9) .
C27 C26 1.365(9) .
C27 H27 0.9300 .
C26 H26 0.9300 .
C22 C21 1.291(10) .
C22 H22 0.9300 .
C21 C18 1.487(9) .
C21 H21 0.9300 .
C18 C19 1.372(9) .
C18 C17 1.402(10) .
C17 C16 1.381(9) .
C17 H17 0.9300 .
C16 H16 0.9300 .
C20 C19 1.371(8) .
C20 H20 0.9300 .
C19 H19 0.9300 .
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
O15 Co1 O1 C1 10.0(6) 2_556 .
O6 Co1 O1 C1 -176.2(6) 2 .
O15 Co1 O1 C1 91.7(6) . .
N2 Co1 O1 C1 -86.3(6) . .
O17 Co1 O1 C1 177.2(5) . .
O15 Co2 O2 C1 11.0(5) 2_556 .
O7 Co2 O2 C1 -142.8(6) 1_556 .
N1 Co2 O2 C1 102.2(5) 2_666 .
O28 Co2 O2 C1 -162.2(5) . .
O17 Co2 O2 C1 -68.0(5) 2_556 .
O15 Co1 O15 Co2 -123.7(2) 2_556 2_556
O6 Co1 O15 Co2 58.99(17) 2 2_556
N2 Co1 O15 Co2 -47.4(7) . 2_556
O1 Co1 O15 Co2 140.23(15) . 2_556
O17 Co1 O15 Co2 -22.72(16) . 2_556
O15 Co1 O15 Co1 0.0 2_556 2_556
O6 Co1 O15 Co1 -177.33(15) 2 2_556
N2 Co1 O15 Co1 76.3(7) . 2_556
O1 Co1 O15 Co1 -96.09(16) . 2_556
O17 Co1 O15 Co1 100.96(16) . 2_556
O15 Co1 O17 Co2 99.33(14) 2_556 2_556
O6 Co1 O17 Co2 -74.41(15) 2 2_556
O15 Co1 O17 Co2 20.33(14) . 2_556
N2 Co1 O17 Co2 -165.68(18) . 2_556
O1 Co1 O17 Co2 -67.9(5) . 2_556
O15 Co1 N2 C16 51.1(5) 2_556 .
O6 Co1 N2 C16 -130.0(5) 2 .
O15 Co1 N2 C16 -23.3(10) . .
O1 Co1 N2 C16 149.1(5) . .
O17 Co1 N2 C16 -47.7(5) . .
O15 Co1 N2 C20 -140.9(5) 2_556 .
O6 Co1 N2 C20 37.9(5) 2 .
O15 Co1 N2 C20 144.6(6) . .
O1 Co1 N2 C20 -43.0(5) . .
O17 Co1 N2 C20 120.2(5) . .
Co1 O1 C1 O2 3.1(9) . .
Co1 O1 C1 C2 -178.6(4) . .
Co2 O2 C1 O1 -16.2(9) . .
Co2 O2 C1 C2 165.4(4) . .
O1 C1 C2 C7 -77.5(7) . .
O2 C1 C2 C7 101.0(6) . .
O1 C1 C2 C3 102.2(7) . .
O2 C1 C2 C3 -79.3(7) . .
C7 C2 C3 C4 -0.5(9) . .
C1 C2 C3 C4 179.8(6) . .
C7 C2 C3 C8 -178.9(6) . .
C1 C2 C3 C8 1.4(9) . .
C2 C3 C4 C5 2.2(10) . .
C8 C3 C4 C5 -179.3(7) . .
C3 C4 C5 C6 -2.4(12) . .
C4 C5 C6 C7 0.8(12) . .
C5 C6 C7 C2 0.9(11) . .
C5 C6 C7 O5 -176.4(6) . .
C3 C2 C7 C6 -1.1(9) . .
C1 C2 C7 C6 178.6(6) . .
C3 C2 C7 O5 176.3(5) . .
C1 C2 C7 O5 -4.0(8) . .
C9 O5 C7 C6 -52.2(8) . .
C9 O5 C7 C2 130.3(6) . .
C4 C3 C8 O4 -23.1(9) . .
C2 C3 C8 O4 155.3(6) . .
C4 C3 C8 O3 152.6(6) . .
C2 C3 C8 O3 -29.0(9) . .
C7 O5 C9 C14 -60.6(7) . .
C7 O5 C9 C10 117.5(6) . .
C14 C9 C10 C11 0.2(10) . .
O5 C9 C10 C11 -177.8(6) . .
C9 C10 C11 C12 -0.6(10) . .
C10 C11 C12 C13 -0.1(10) . .
C10 C11 C12 C15 172.1(6) . .
C11 C12 C13 C14 1.2(9) . .
C15 C12 C13 C14 -171.2(5) . .
C10 C9 C14 C13 0.8(9) . .
O5 C9 C14 C13 178.8(5) . .
C12 C13 C14 C9 -1.5(9) . .
Co2 O7 C15 O6 36.2(8) 1_554 .
Co2 O7 C15 C12 -143.6(4) 1_554 .
Co1 O6 C15 O7 -22.3(8) 2 .
Co1 O6 C15 C12 157.5(4) 2 .
C11 C12 C15 O7 1.8(8) . .
C13 C12 C15 O7 174.0(5) . .
C11 C12 C15 O6 -178.0(5) . .
C13 C12 C15 O6 -5.8(8) . .
C26 N1 C25 C24 -1.1(9) . .
Co2 N1 C25 C24 168.8(5) 2_666 .
N1 C25 C24 C23 0.1(11) . .
C25 C24 C23 C27 0.6(10) . .
C25 C24 C23 C22 -176.9(7) . .
C24 C23 C27 C26 -0.3(10) . .
C22 C23 C27 C26 177.1(6) . .
C25 N1 C26 C27 1.5(10) . .
Co2 N1 C26 C27 -167.8(5) 2_666 .
C23 C27 C26 N1 -0.8(11) . .
C24 C23 C22 C21 160.6(8) . .
C27 C23 C22 C21 -16.7(13) . .
C23 C22 C21 C18 -176.6(7) . .
C22 C21 C18 C19 -168.5(8) . .
C22 C21 C18 C17 10.7(12) . .
C19 C18 C17 C16 2.8(11) . .
C21 C18 C17 C16 -176.4(7) . .
C20 N2 C16 C17 -1.0(10) . .
Co1 N2 C16 C17 167.4(6) . .
C18 C17 C16 N2 -1.0(11) . .
C16 N2 C20 C19 1.3(10) . .
Co1 N2 C20 C19 -167.3(5) . .
C17 C18 C19 C20 -2.5(11) . .
C21 C18 C19 C20 176.7(7) . .
N2 C20 C19 C18 0.5(11) . .
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 0.500 0.500 0.000 292 81 ' '
