#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:01:28 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180284 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/70/7117040.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_7117040
loop_
_publ_author_name
'Fu-Ping Huang'
'Peng-Fei Yao'
'Hai-Ye Li'
'Qing Yu'
'He-Dong Bian'
'Hong Liang'
_publ_section_title
;
 An intuitional hierarchical assembly of cluster-organic frameworks with a
 thickness of 1.97 nm from a discrete Co14 cluster
;
_journal_name_full               Chem.Commun.
_journal_page_first              7598
_journal_paper_doi               10.1039/C5cc01057H
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C31.3333 H26 Cl2 Co4.6667 N16 O3.3333'
_chemical_formula_sum            'C31.33 H26 Cl2 Co4.67 N16 O3.33'
_chemical_formula_weight         1025.92
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-05-17
_audit_creation_method
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_audit_update_record
;
2014-10-09 deposited with the CCDC.
2015-03-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   23.2046(4)
_cell_length_b                   23.2046(4)
_cell_length_c                   17.2439(19)
_cell_measurement_reflns_used    18358
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8187
_cell_measurement_theta_min      2.9234
_cell_volume                     8041.1(9)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1623
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
  1 omega  -48.00   77.00   0.5000   45.0000
omega____ theta____ kappa____ phi______ frames
    -       22.9299  -19.0000   60.0000 250

  2 omega  -92.00   14.00   0.5000   45.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.3361  -77.0000  120.0000 212

  3 omega   34.00   74.00   0.5000   45.0000
omega____ theta____ kappa____ phi______ frames
    -       22.9299 -178.0000   30.0000 80
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0030911000
_diffrn_orient_matrix_UB_12      0.0037501000
_diffrn_orient_matrix_UB_13      0.0408234000
_diffrn_orient_matrix_UB_21      -0.0310968000
_diffrn_orient_matrix_UB_22      -0.0011541000
_diffrn_orient_matrix_UB_23      0.0017714000
_diffrn_orient_matrix_UB_31      -0.0163885000
_diffrn_orient_matrix_UB_32      -0.0350601000
_diffrn_orient_matrix_UB_33      0.0043007000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35310
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.24
_diffrn_reflns_theta_min         2.93
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.557
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72112
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3076
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.08
_platon_squeeze_details
;
;
_refine_diff_density_max         0.903
_refine_diff_density_min         -0.794
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     521
_refine_ls_number_reflns         9706
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0435
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0923P)²+1.5462P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1383
_refine_ls_wR_factor_ref         0.1447
_reflns_number_gt                7980
_reflns_number_total             9706
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc01057h2.cif
_cod_data_source_block           0701-ypf-075b
_cod_database_code               7117040
#BEGIN Tags that were not found in dictionaries:
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-y, x-y, z'
3 '-x+y, -x, z'
4 '-x, -y, -z'
5 'y, -x+y, -z'
6 'x-y, x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.41293(2) 0.33246(3) 0.69164(3) 0.04256(15) Uani 1 1 d . . .
Co2 Co 0.39091(2) 0.44032(2) 0.77233(3) 0.03763(14) Uani 1 1 d . . .
Co3 Co 0.419140(19) 0.682920(19) 0.58309(2) 0.02627(13) Uani 1 1 d . . .
Co4 Co 0.59230(2) 0.71850(2) 0.65919(3) 0.03438(14) Uani 1 1 d . . .
Co5 Co 0.3333 0.6667 0.43251(4) 0.02523(17) Uani 1 3 d S . .
Co6 Co 0.3333 0.6667 0.20656(4) 0.02937(18) Uani 1 3 d S . .
Cl1 Cl 0.33004(8) 0.22001(7) 0.68060(10) 0.0972(5) Uani 1 1 d . . .
Cl2 Cl 0.38963(7) 0.45548(6) 0.90501(6) 0.0747(4) Uani 1 1 d . . .
O1 O 0.37333(15) 0.34734(14) 0.78420(17) 0.0571(7) Uani 1 1 d . . .
O2 O 0.44108(17) 0.43015(16) 0.68423(18) 0.0661(8) Uani 1 1 d . . .
O3 O 0.3333 0.6667 0.6425(2) 0.0305(8) Uani 1 3 d S . .
O4 O 0.39396(10) 0.74032(10) 0.51246(12) 0.0287(5) Uani 1 1 d . . .
N1 N 0.14044(15) 0.32228(15) 0.68444(18) 0.0457(7) Uani 1 1 d . . .
N2 N 0.22835(13) 0.44796(13) 0.66208(16) 0.0354(6) Uani 1 1 d . . .
N3 N 0.28108(12) 0.51099(13) 0.65352(15) 0.0302(6) Uani 1 1 d . . .
N4 N 0.31526(13) 0.44653(13) 0.71202(16) 0.0352(6) Uani 1 1 d . . .
N5 N 0.43603(14) 0.54659(14) 0.74768(16) 0.0370(6) Uani 1 1 d . . .
N6 N 0.43604(13) 0.61851(13) 0.65957(15) 0.0313(6) Uani 1 1 d . . .
N7 N 0.49790(14) 0.64459(14) 0.69279(16) 0.0378(6) Uani 1 1 d . . .
N8 N 0.60799(15) 0.67988(16) 0.77045(18) 0.0450(7) Uani 1 1 d . . .
N9 N 0.65752(16) 0.68629(17) 0.59893(18) 0.0497(8) Uani 1 1 d . . .
N10 N 0.55585(14) 0.69646(16) 0.54816(17) 0.0408(7) Uani 1 1 d . . .
N11 N 0.50274(13) 0.69563(14) 0.51015(15) 0.0319(6) Uani 1 1 d . . .
N12 N 0.56271(15) 0.67324(17) 0.42566(17) 0.0449(7) Uani 1 1 d . . .
N13 N 0.41595(12) 0.67780(12) 0.35821(14) 0.0279(6) Uani 1 1 d . . .
N14 N 0.40291(13) 0.66623(13) 0.28032(15) 0.0313(6) Uani 1 1 d . . .
N15 N 0.49532(14) 0.66361(14) 0.30181(15) 0.0360(6) Uani 1 1 d . . .
N16 N 0.38859(15) 0.63226(15) 0.13360(16) 0.0392(7) Uani 1 1 d . . .
C1 C 0.0951(2) 0.2576(2) 0.6857(3) 0.0680(13) Uani 1 1 d . . .
H1 H 0.0512 0.2448 0.6738 0.082 Uiso 1 1 calc R . .
C2 C 0.1101(3) 0.2095(2) 0.7034(4) 0.095(2) Uani 1 1 d . . .
H2 H 0.0772 0.1649 0.7023 0.114 Uiso 1 1 calc R . .
C3 C 0.1756(3) 0.2277(2) 0.7234(5) 0.105(2) Uani 1 1 d . . .
H3 H 0.1869 0.1957 0.7363 0.125 Uiso 1 1 calc R . .
C4 C 0.2225(2) 0.2941(2) 0.7236(3) 0.0677(13) Uani 1 1 d . . .
H4 H 0.2664 0.3082 0.7370 0.081 Uiso 1 1 calc R . .
C5 C 0.20323(19) 0.33973(18) 0.7033(2) 0.0441(9) Uani 1 1 d . . .
C6 C 0.25006(17) 0.41107(16) 0.69529(19) 0.0362(7) Uani 1 1 d . . .
C7 C 0.33179(16) 0.50810(15) 0.68422(17) 0.0300(7) Uani 1 1 d . . .
C8 C 0.40051(16) 0.55932(15) 0.69476(18) 0.0304(7) Uani 1 1 d . . .
C9 C 0.49540(17) 0.60149(17) 0.74439(19) 0.0363(7) Uani 1 1 d . . .
C10 C 0.55437(18) 0.62132(19) 0.7930(2) 0.0436(8) Uani 1 1 d . . .
C11 C 0.5540(2) 0.5873(2) 0.8583(2) 0.0616(11) Uani 1 1 d . . .
H11 H 0.5167 0.5470 0.8714 0.074 Uiso 1 1 calc R . .
C12 C 0.6110(3) 0.6145(3) 0.9046(3) 0.0753(15) Uani 1 1 d . . .
H12 H 0.6123 0.5929 0.9495 0.090 Uiso 1 1 calc R . .
C13 C 0.6653(2) 0.6741(3) 0.8825(3) 0.0709(13) Uani 1 1 d . . .
H13 H 0.7039 0.6933 0.9122 0.085 Uiso 1 1 calc R . .
C14 C 0.6615(2) 0.7049(2) 0.8150(3) 0.0607(11) Uani 1 1 d . . .
H14 H 0.6984 0.7450 0.8006 0.073 Uiso 1 1 calc R . .
C15 C 0.7067(2) 0.6777(2) 0.6275(3) 0.0628(12) Uani 1 1 d . . .
H15 H 0.7159 0.6844 0.6802 0.075 Uiso 1 1 calc R . .
C16 C 0.7443(3) 0.6594(3) 0.5827(3) 0.0787(16) Uani 1 1 d . . .
H16 H 0.7790 0.6558 0.6044 0.094 Uiso 1 1 calc R . .
C17 C 0.7294(3) 0.6468(3) 0.5058(3) 0.0896(19) Uani 1 1 d . . .
H17 H 0.7532 0.6334 0.4745 0.108 Uiso 1 1 calc R . .
C18 C 0.6787(3) 0.6543(3) 0.4752(3) 0.0781(16) Uani 1 1 d . . .
H18 H 0.6676 0.6458 0.4230 0.094 Uiso 1 1 calc R . .
C19 C 0.6446(2) 0.6746(2) 0.5230(2) 0.0510(10) Uani 1 1 d . . .
C20 C 0.58884(18) 0.6822(2) 0.4967(2) 0.0442(9) Uani 1 1 d . . .
C21 C 0.51028(15) 0.68240(16) 0.43725(18) 0.0325(7) Uani 1 1 d . . .
C22 C 0.47167(15) 0.67572(16) 0.36797(17) 0.0298(7) Uani 1 1 d . . .
C23 C 0.44972(16) 0.65731(16) 0.24976(18) 0.0335(7) Uani 1 1 d . . .
C24 C 0.44211(17) 0.63547(17) 0.16844(19) 0.0370(7) Uani 1 1 d . . .
C25 C 0.4822(2) 0.6147(2) 0.1334(2) 0.0532(10) Uani 1 1 d . . .
H25 H 0.5188 0.6177 0.1593 0.064 Uiso 1 1 calc R . .
C26 C 0.4667(2) 0.5895(3) 0.0595(2) 0.0650(12) Uani 1 1 d . . .
H26 H 0.4922 0.5742 0.0348 0.078 Uiso 1 1 calc R . .
C27 C 0.4136(3) 0.5871(3) 0.0229(3) 0.0674(13) Uani 1 1 d . . .
H27 H 0.4029 0.5709 -0.0275 0.081 Uiso 1 1 calc R . .
C28 C 0.3758(2) 0.6088(2) 0.0611(2) 0.0544(10) Uani 1 1 d . . .
H28 H 0.3398 0.6070 0.0353 0.065 Uiso 1 1 calc R . .
C29 C 0.3427(5) 0.3025(5) 0.8426(6) 0.168(4) Uani 1 1 d . . .
H29A H 0.3627 0.3226 0.8912 0.252 Uiso 1 1 calc R . .
H29B H 0.3474 0.2642 0.8339 0.252 Uiso 1 1 calc R . .
H29C H 0.2963 0.2891 0.8436 0.252 Uiso 1 1 calc R . .
C30 C 0.4819(5) 0.4751(4) 0.6279(6) 0.178(5) Uani 1 1 d . . .
H30A H 0.4717 0.5102 0.6229 0.267 Uiso 1 1 calc R . .
H30B H 0.4745 0.4525 0.5791 0.267 Uiso 1 1 calc R . .
H30C H 0.5276 0.4935 0.6427 0.267 Uiso 1 1 calc R . .
C31 C 0.3333 0.6667 0.7257(4) 0.0484(16) Uani 1 3 d S . .
H31A H 0.3701 0.6626 0.7442 0.073 Uiso 0.33 1 calc PR A -1
H31B H 0.2924 0.6299 0.7442 0.073 Uiso 0.33 1 calc PR A -1
H31C H 0.3374 0.7076 0.7442 0.073 Uiso 0.33 1 calc PR A -1
C32 C 0.44747(18) 0.80235(17) 0.4853(2) 0.0447(9) Uani 1 1 d . . .
H32A H 0.4888 0.8028 0.4917 0.067 Uiso 1 1 calc R . .
H32B H 0.4487 0.8381 0.5145 0.067 Uiso 1 1 calc R . .
H32C H 0.4409 0.8077 0.4314 0.067 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'
Cl Cl 0.1484 0.1585 '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 Co1 Cl1 93.79(10) . .
O1 Co1 O2 76.76(12) . .
O1 Co1 N12 162.14(12) . 4_666
O1 Co1 N15 120.45(12) . 4_666
O2 Co1 Cl1 149.82(11) . .
O2 Co1 N12 93.60(13) . 4_666
O2 Co1 N15 101.73(13) . 4_666
N12 Co1 Cl1 87.09(10) 4_666 .
N15 Co1 Cl1 107.66(9) 4_666 .
N15 Co1 N12 75.92(11) 4_666 4_666
O1 Co2 Cl2 92.96(9) . .
O1 Co2 O2 76.50(12) . .
O1 Co2 N4 113.44(12) . .
O1 Co2 N5 164.46(11) . .
O2 Co2 Cl2 145.18(11) . .
O2 Co2 N4 100.80(12) . .
O2 Co2 N5 90.38(12) . .
N4 Co2 Cl2 113.75(9) . .
N4 Co2 N5 76.83(10) . .
N5 Co2 Cl2 93.21(8) . .
O3 Co3 O4 81.04(9) . 3_565
O3 Co3 N3 95.28(9) . 2_665
O3 Co3 N6 93.54(9) . .
O3 Co3 N11 174.12(11) . .
O4 Co3 O3 81.75(9) . .
O4 Co3 O4 80.96(11) . 3_565
O4 Co3 N3 92.73(9) . 2_665
O4 Co3 N3 173.07(9) 3_565 2_665
O4 Co3 N6 96.41(9) 3_565 .
O4 Co3 N6 174.89(9) . .
O4 Co3 N11 93.57(9) 3_565 .
O4 Co3 N11 95.16(9) . .
N6 Co3 N3 89.65(10) . 2_665
N6 Co3 N11 89.36(10) . .
N11 Co3 N3 89.85(10) . 2_665
N1 Co4 N8 90.56(11) 2_665 .
N1 Co4 N9 92.19(12) 2_665 .
N2 Co4 N1 75.45(11) 2_665 2_665
N2 Co4 N7 84.87(11) 2_665 .
N2 Co4 N8 118.74(12) 2_665 .
N2 Co4 N9 148.67(12) 2_665 .
N7 Co4 N1 146.37(12) . 2_665
N7 Co4 N8 75.18(11) . .
N7 Co4 N9 117.47(12) . .
N8 Co4 N9 89.53(11) . .
N10 Co4 N1 119.14(12) . 2_665
N10 Co4 N2 85.56(11) . 2_665
N10 Co4 N7 85.49(12) . .
N10 Co4 N8 146.61(12) . .
N10 Co4 N9 75.41(11) . .
O4 Co5 O4 81.46(9) 2_665 .
O4 Co5 O4 81.46(9) 2_665 3_565
O4 Co5 O4 81.46(9) . 3_565
O4 Co5 N13 92.98(8) . 2_665
O4 Co5 N13 95.54(8) 2_665 2_665
O4 Co5 N13 174.00(9) 3_565 2_665
O4 Co5 N13 92.98(8) 2_665 3_565
O4 Co5 N13 174.00(9) . 3_565
O4 Co5 N13 174.00(9) 2_665 .
O4 Co5 N13 95.54(8) 3_565 3_565
O4 Co5 N13 92.98(8) 3_565 .
O4 Co5 N13 95.54(8) . .
N13 Co5 N13 89.79(9) 2_665 3_565
N13 Co5 N13 89.79(9) 2_665 .
N13 Co5 N13 89.79(9) 3_565 .
N14 Co6 N14 85.86(10) 2_665 3_565
N14 Co6 N14 85.86(10) 2_665 .
N14 Co6 N14 85.86(10) 3_565 .
N14 Co6 N16 149.47(11) 3_565 2_665
N14 Co6 N16 75.64(10) 2_665 2_665
N14 Co6 N16 116.17(11) . 2_665
N14 Co6 N16 116.17(11) 2_665 3_565
N14 Co6 N16 75.64(10) 3_565 3_565
N14 Co6 N16 149.47(11) 2_665 .
N14 Co6 N16 149.47(11) . 3_565
N14 Co6 N16 75.64(10) . .
N14 Co6 N16 116.17(11) 3_565 .
N16 Co6 N16 90.82(10) 2_665 3_565
N16 Co6 N16 90.82(10) 2_665 .
N16 Co6 N16 90.82(10) 3_565 .
Co1 O1 Co2 104.30(13) . .
C29 O1 Co1 125.4(5) . .
C29 O1 Co2 130.3(5) . .
Co2 O2 Co1 101.73(14) . .
C30 O2 Co1 126.8(4) . .
C30 O2 Co2 131.3(4) . .
Co3 O3 Co3 98.22(11) 3_565 .
Co3 O3 Co3 98.22(11) 2_665 .
Co3 O3 Co3 98.22(11) 2_665 3_565
C31 O3 Co3 119.20(8) . 3_565
C31 O3 Co3 119.20(8) . 2_665
C31 O3 Co3 119.20(8) . .
Co3 O4 Co3 97.67(9) . 2_665
Co3 O4 Co5 98.68(9) . .
Co5 O4 Co3 97.72(8) . 2_665
C32 O4 Co3 121.4(2) . 2_665
C32 O4 Co3 116.9(2) . .
C32 O4 Co5 119.7(2) . .
C1 N1 Co4 128.7(3) . 3_565
C1 N1 C5 117.5(4) . .
C5 N1 Co4 113.8(2) . 3_565
N3 N2 Co4 133.7(2) . 3_565
C6 N2 Co4 116.1(2) . 3_565
C6 N2 N3 108.2(3) . .
N2 N3 Co3 116.69(19) . 3_565
C7 N3 Co3 138.4(2) . 3_565
C7 N3 N2 104.2(2) . .
C6 N4 Co2 141.8(2) . .
C6 N4 C7 101.9(3) . .
C7 N4 Co2 115.9(2) . .
C8 N5 Co2 112.1(2) . .
C9 N5 Co2 140.5(2) . .
C9 N5 C8 102.3(3) . .
N7 N6 Co3 117.31(19) . .
C8 N6 Co3 138.5(2) . .
C8 N6 N7 103.5(2) . .
N6 N7 Co4 133.3(2) . .
C9 N7 Co4 116.3(2) . .
C9 N7 N6 107.9(3) . .
C10 N8 Co4 113.4(2) . .
C14 N8 Co4 129.2(3) . .
C14 N8 C10 117.4(3) . .
C15 N9 Co4 129.9(3) . .
C19 N9 Co4 113.5(2) . .
C19 N9 C15 116.5(3) . .
N11 N10 Co4 134.2(2) . .
C20 N10 Co4 118.2(2) . .
C20 N10 N11 107.6(3) . .
N10 N11 Co3 116.64(19) . .
C21 N11 Co3 136.0(2) . .
C21 N11 N10 103.4(2) . .
C20 N12 Co1 140.3(2) . 4_666
C20 N12 C21 102.3(3) . .
C21 N12 Co1 116.1(2) . 4_666
N14 N13 Co5 116.77(18) . .
C22 N13 Co5 136.5(2) . .
C22 N13 N14 103.9(2) . .
N13 N14 Co6 134.40(19) . .
C23 N14 Co6 117.7(2) . .
C23 N14 N13 107.7(2) . .
C22 N15 Co1 117.1(2) . 4_666
C23 N15 Co1 140.7(2) . 4_666
C23 N15 C22 102.0(3) . .
C24 N16 Co6 114.3(2) . .
C28 N16 Co6 129.0(3) . .
C28 N16 C24 116.7(3) . .
N1 C1 H1 118.5 . .
N1 C1 C2 123.1(5) . .
C2 C1 H1 118.5 . .
C1 C2 H2 120.3 . .
C1 C2 C3 119.5(5) . .
C3 C2 H2 120.3 . .
C2 C3 H3 120.9 . .
C4 C3 C2 118.1(5) . .
C4 C3 H3 120.9 . .
C3 C4 H4 120.7 . .
C3 C4 C5 118.6(4) . .
C5 C4 H4 120.7 . .
N1 C5 C4 123.2(4) . .
N1 C5 C6 113.5(3) . .
C4 C5 C6 123.2(4) . .
N2 C6 N4 111.9(3) . .
N2 C6 C5 117.8(3) . .
N4 C6 C5 130.1(3) . .
N3 C7 N4 113.7(3) . .
N3 C7 C8 130.7(3) . .
N4 C7 C8 115.6(3) . .
N5 C8 C7 116.4(3) . .
N6 C8 N5 113.4(3) . .
N6 C8 C7 130.1(3) . .
N5 C9 C10 129.2(3) . .
N7 C9 N5 112.8(3) . .
N7 C9 C10 117.8(3) . .
N8 C10 C9 113.1(3) . .
N8 C10 C11 123.2(3) . .
C11 C10 C9 123.4(4) . .
C10 C11 H11 120.8 . .
C10 C11 C12 118.5(4) . .
C12 C11 H11 120.8 . .
C11 C12 H12 120.7 . .
C13 C12 C11 118.6(4) . .
C13 C12 H12 120.7 . .
C12 C13 H13 120.5 . .
C12 C13 C14 119.1(4) . .
C14 C13 H13 120.5 . .
N8 C14 C13 123.2(4) . .
N8 C14 H14 118.4 . .
C13 C14 H14 118.4 . .
N9 C15 H15 118.2 . .
N9 C15 C16 123.6(4) . .
C16 C15 H15 118.2 . .
C15 C16 H16 120.7 . .
C17 C16 C15 118.6(4) . .
C17 C16 H16 120.7 . .
C16 C17 H17 120.5 . .
C16 C17 C18 119.0(5) . .
C18 C17 H17 120.5 . .
C17 C18 H18 120.4 . .
C19 C18 C17 119.2(4) . .
C19 C18 H18 120.4 . .
N9 C19 C18 123.0(4) . .
N9 C19 C20 113.5(3) . .
C18 C19 C20 123.4(4) . .
N10 C20 N12 112.4(3) . .
N10 C20 C19 118.9(3) . .
N12 C20 C19 128.6(3) . .
N11 C21 N12 114.2(3) . .
N11 C21 C22 131.1(3) . .
N12 C21 C22 114.7(3) . .
N13 C22 N15 113.8(3) . .
N13 C22 C21 131.2(3) . .
N15 C22 C21 115.0(3) . .
N14 C23 N15 112.6(3) . .
N14 C23 C24 118.1(3) . .
N15 C23 C24 129.0(3) . .
N16 C24 C23 113.1(3) . .
N16 C24 C25 123.2(3) . .
C25 C24 C23 123.4(3) . .
C24 C25 H25 120.8 . .
C26 C25 C24 118.4(4) . .
C26 C25 H25 120.8 . .
C25 C26 H26 120.4 . .
C27 C26 C25 119.1(4) . .
C27 C26 H26 120.4 . .
C26 C27 H27 120.3 . .
C26 C27 C28 119.4(4) . .
C28 C27 H27 120.3 . .
N16 C28 C27 123.0(4) . .
N16 C28 H28 118.5 . .
C27 C28 H28 118.5 . .
O1 C29 H29A 109.5 . .
O1 C29 H29B 109.5 . .
O1 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
O2 C30 H30A 109.5 . .
O2 C30 H30B 109.5 . .
O2 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O3 C31 H31A 109.5 . .
O3 C31 H31B 109.5 . .
O3 C31 H31C 109.5 . .
O4 C32 H32A 109.5 . .
O4 C32 H32B 109.5 . .
O4 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 Cl1 2.3507(14) .
Co1 O1 1.957(3) .
Co1 O2 2.025(3) .
Co1 N12 2.122(3) 4_666
Co1 N15 2.088(3) 4_666
Co2 Cl2 2.3173(12) .
Co2 O1 1.996(3) .
Co2 O2 1.998(3) .
Co2 N4 2.106(3) .
Co2 N5 2.185(3) .
Co3 O3 2.0986(18) .
Co3 O4 2.092(2) .
Co3 O4 2.123(2) 3_565
Co3 N3 2.217(3) 2_665
Co3 N6 2.171(3) .
Co3 N11 2.205(3) .
Co4 N1 2.210(3) 2_665
Co4 N2 2.069(3) 2_665
Co4 N7 2.078(3) .
Co4 N8 2.223(3) .
Co4 N9 2.249(3) .
Co4 N10 2.052(3) .
Co5 O4 2.097(2) 2_665
Co5 O4 2.097(2) .
Co5 O4 2.097(2) 3_565
Co5 N13 2.211(2) 2_665
Co5 N13 2.211(2) 3_565
Co5 N13 2.211(2) .
Co6 N14 2.059(3) 2_665
Co6 N14 2.059(3) 3_565
Co6 N14 2.059(3) .
Co6 N16 2.211(3) 2_665
Co6 N16 2.211(3) 3_565
Co6 N16 2.211(3) .
O1 C29 1.364(9) .
O2 C30 1.393(8) .
O3 Co3 2.0985(18) 2_665
O3 Co3 2.0986(18) 3_565
O3 C31 1.435(7) .
O4 Co3 2.123(2) 2_665
O4 C32 1.430(4) .
N1 Co4 2.210(3) 3_565
N1 C1 1.334(5) .
N1 C5 1.342(5) .
N2 Co4 2.069(3) 3_565
N2 N3 1.367(4) .
N2 C6 1.321(4) .
N3 Co3 2.217(3) 3_565
N3 C7 1.322(4) .
N4 C6 1.343(4) .
N4 C7 1.368(4) .
N5 C8 1.358(4) .
N5 C9 1.330(4) .
N6 N7 1.373(4) .
N6 C8 1.342(4) .
N7 C9 1.318(4) .
N8 C10 1.362(5) .
N8 C14 1.322(5) .
N9 C15 1.347(5) .
N9 C19 1.341(5) .
N10 N11 1.387(4) .
N10 C20 1.317(4) .
N11 C21 1.326(4) .
N12 Co1 2.122(3) 4_666
N12 C20 1.337(5) .
N12 C21 1.351(4) .
N13 N14 1.373(3) .
N13 C22 1.328(4) .
N14 C23 1.313(4) .
N15 Co1 2.088(3) 4_666
N15 C22 1.355(4) .
N15 C23 1.339(4) .
N16 C24 1.348(4) .
N16 C28 1.336(4) .
C1 H1 0.9300 .
C1 C2 1.359(7) .
C2 H2 0.9300 .
C2 C3 1.401(8) .
C3 H3 0.9300 .
C3 C4 1.372(7) .
C4 H4 0.9300 .
C4 C5 1.384(6) .
C5 C6 1.463(5) .
C7 C8 1.447(4) .
C9 C10 1.469(5) .
C10 C11 1.373(5) .
C11 H11 0.9300 .
C11 C12 1.398(6) .
C12 H12 0.9300 .
C12 C13 1.378(7) .
C13 H13 0.9300 .
C13 C14 1.392(6) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C15 C16 1.380(6) .
C16 H16 0.9300 .
C16 C17 1.364(7) .
C17 H17 0.9300 .
C17 C18 1.377(6) .
C18 H18 0.9300 .
C18 C19 1.377(6) .
C19 C20 1.463(5) .
C21 C22 1.454(4) .
C23 C24 1.471(4) .
C24 C25 1.382(5) .
C25 H25 0.9300 .
C25 C26 1.374(5) .
C26 H26 0.9300 .
C26 C27 1.361(6) .
C27 H27 0.9300 .
C27 C28 1.378(6) .
C28 H28 0.9300 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Co1 N12 C20 N10 165.0(3) 4_666 . . .
Co1 N12 C20 C19 -18.7(7) 4_666 . . .
Co1 N12 C21 N11 -170.4(2) 4_666 . . .
Co1 N12 C21 C22 9.9(4) 4_666 . . .
Co1 N15 C22 N13 174.8(2) 4_666 . . .
Co1 N15 C22 C21 -6.8(4) 4_666 . . .
Co1 N15 C23 N14 -172.4(3) 4_666 . . .
Co1 N15 C23 C24 14.8(6) 4_666 . . .
Co2 N4 C6 N2 170.4(3) . . . .
Co2 N4 C6 C5 -14.4(6) . . . .
Co2 N4 C7 N3 -173.8(2) . . . .
Co2 N4 C7 C8 4.7(3) . . . .
Co2 N5 C8 N6 -159.3(2) . . . .
Co2 N5 C8 C7 20.1(3) . . . .
Co2 N5 C9 N7 149.1(3) . . . .
Co2 N5 C9 C10 -35.8(6) . . . .
Co3 N3 C7 N4 -169.0(2) 3_565 . . .
Co3 N3 C7 C8 12.9(6) 3_565 . . .
Co3 N6 N7 Co4 -27.6(4) . . . .
Co3 N6 N7 C9 171.8(2) . . . .
Co3 N6 C8 N5 -170.1(2) . . . .
Co3 N6 C8 C7 10.6(6) . . . .
Co3 N11 C21 N12 -154.1(3) . . . .
Co3 N11 C21 C22 25.5(6) . . . .
Co4 N1 C1 C2 -178.9(5) 3_565 . . .
Co4 N1 C5 C4 177.9(4) 3_565 . . .
Co4 N1 C5 C6 -5.9(4) 3_565 . . .
Co4 N2 N3 Co3 -26.3(4) 3_565 . . 3_565
Co4 N2 N3 C7 161.6(2) 3_565 . . .
Co4 N2 C6 N4 -164.5(2) 3_565 . . .
Co4 N2 C6 C5 19.6(4) 3_565 . . .
Co4 N7 C9 N5 -163.0(2) . . . .
Co4 N7 C9 C10 21.3(4) . . . .
Co4 N8 C10 C9 -7.7(4) . . . .
Co4 N8 C10 C11 177.4(3) . . . .
Co4 N8 C14 C13 -177.7(4) . . . .
Co4 N9 C15 C16 -178.0(4) . . . .
Co4 N9 C19 C18 -179.9(4) . . . .
Co4 N9 C19 C20 -2.7(5) . . . .
Co4 N10 N11 Co3 -23.9(4) . . . .
Co4 N10 N11 C21 174.9(3) . . . .
Co4 N10 C20 N12 -175.8(3) . . . .
Co4 N10 C20 C19 7.6(5) . . . .
Co5 N13 N14 Co6 21.7(3) . . . .
Co5 N13 N14 C23 -163.2(2) . . . .
Co5 N13 C22 N15 159.1(2) . . . .
Co5 N13 C22 C21 -19.0(6) . . . .
Co6 N14 C23 N15 174.6(2) . . . .
Co6 N14 C23 C24 -11.7(4) . . . .
Co6 N16 C24 C23 3.7(4) . . . .
Co6 N16 C24 C25 178.3(3) . . . .
Co6 N16 C28 C27 -178.0(4) . . . .
Cl1 Co1 O1 Co2 -144.47(12) . . . .
Cl1 Co1 O1 C29 36.9(6) . . . .
Cl1 Co1 O2 Co2 68.0(2) . . . .
Cl1 Co1 O2 C30 -108.6(7) . . . .
Cl2 Co2 O1 Co1 -153.00(12) . . . .
Cl2 Co2 O1 C29 25.5(6) . . . .
Cl2 Co2 O2 Co1 81.7(2) . . . .
Cl2 Co2 O2 C30 -102.0(7) . . . .
Cl2 Co2 N4 C6 -79.0(4) . . . .
Cl2 Co2 N4 C7 92.1(2) . . . .
Cl2 Co2 N5 C8 -126.8(2) . . . .
Cl2 Co2 N5 C9 84.5(4) . . . .
O1 Co1 O2 Co2 -6.42(14) . . . .
O1 Co1 O2 C30 177.0(7) . . . .
O1 Co2 O2 Co1 6.30(13) . . . .
O1 Co2 O2 C30 -177.4(7) . . . .
O1 Co2 N4 C6 25.6(4) . . . .
O1 Co2 N4 C7 -163.3(2) . . . .
O1 Co2 N5 C8 119.9(4) . . . .
O1 Co2 N5 C9 -28.7(7) . . . .
O2 Co1 O1 Co2 6.50(14) . . . .
O2 Co1 O1 C29 -172.1(6) . . . .
O2 Co2 O1 Co1 -6.59(14) . . . .
O2 Co2 O1 C29 171.9(6) . . . .
O2 Co2 N4 C6 105.4(4) . . . .
O2 Co2 N4 C7 -83.5(2) . . . .
O2 Co2 N5 C8 87.8(2) . . . .
O2 Co2 N5 C9 -60.8(4) . . . .
O3 Co3 O4 Co3 8.71(8) . . . 2_665
O3 Co3 O4 Co5 -90.37(9) . . . .
O3 Co3 O4 C32 139.8(2) . . . .
O3 Co3 N6 N7 -127.2(2) . . . .
O3 Co3 N6 C8 41.8(3) . . . .
O3 Co3 N11 N10 -154.0(6) . . . .
O3 Co3 N11 C21 -0.9(10) . . . .
O4 Co3 O3 Co3 8.71(9) 3_565 . . 3_565
O4 Co3 O3 Co3 -90.90(10) 3_565 . . 2_665
O4 Co3 O3 Co3 -8.82(9) . . . 2_665
O4 Co3 O3 Co3 90.79(10) . . . 3_565
O4 Co3 O3 C31 138.91(6) 3_565 . . .
O4 Co3 O3 C31 -139.02(6) . . . .
O4 Co3 O4 Co3 90.87(8) 3_565 . . 2_665
O4 Co3 O4 Co5 -8.21(8) 3_565 . . .
O4 Co3 O4 C32 -138.0(2) 3_565 . . .
O4 Co3 N6 N7 151.4(2) 3_565 . . .
O4 Co3 N6 N7 -149.8(9) . . . .
O4 Co3 N6 C8 19.2(12) . . . .
O4 Co3 N6 C8 -39.5(3) 3_565 . . .
O4 Co3 N11 N10 148.0(2) . . . .
O4 Co3 N11 N10 -130.8(2) 3_565 . . .
O4 Co3 N11 C21 -58.9(3) . . . .
O4 Co3 N11 C21 22.4(3) 3_565 . . .
O4 Co5 O4 Co3 -8.16(8) 2_665 . . 2_665
O4 Co5 O4 Co3 8.30(8) 3_565 . . .
O4 Co5 O4 Co3 90.87(2) 2_665 . . .
O4 Co5 O4 Co3 -90.73(2) 3_565 . . 2_665
O4 Co5 O4 C32 -141.2(3) 2_665 . . .
O4 Co5 O4 C32 136.3(3) 3_565 . . .
O4 Co5 N13 N14 130.6(2) 3_565 . . .
O4 Co5 N13 N14 152.5(7) 2_665 . . .
O4 Co5 N13 N14 -147.7(2) . . . .
O4 Co5 N13 C22 -4.7(10) 2_665 . . .
O4 Co5 N13 C22 55.1(3) . . . .
O4 Co5 N13 C22 -26.6(3) 3_565 . . .
N1 Co4 N7 N6 114.2(3) 2_665 . . .
N1 Co4 N7 C9 -86.4(3) 2_665 . . .
N1 Co4 N8 C10 163.0(3) 2_665 . . .
N1 Co4 N8 C14 -18.7(4) 2_665 . . .
N1 Co4 N9 C15 64.9(4) 2_665 . . .
N1 Co4 N9 C19 -114.7(3) 2_665 . . .
N1 Co4 N10 N11 -98.6(3) 2_665 . . .
N1 Co4 N10 C20 77.7(3) 2_665 . . .
N1 C1 C2 C3 1.7(11) . . . .
N1 C5 C6 N2 -8.4(5) . . . .
N1 C5 C6 N4 176.6(3) . . . .
N2 Co4 N7 N6 60.4(3) 2_665 . . .
N2 Co4 N7 C9 -140.2(3) 2_665 . . .
N2 Co4 N8 C10 89.3(3) 2_665 . . .
N2 Co4 N8 C14 -92.4(4) 2_665 . . .
N2 Co4 N9 C15 130.1(4) 2_665 . . .
N2 Co4 N9 C19 -49.5(4) 2_665 . . .
N2 Co4 N10 N11 -28.0(3) 2_665 . . .
N2 Co4 N10 C20 148.3(3) 2_665 . . .
N2 N3 C7 N4 0.4(3) . . . .
N2 N3 C7 C8 -177.8(3) . . . .
N3 Co3 O3 Co3 -177.21(9) 2_665 . . 3_565
N3 Co3 O3 Co3 83.19(11) 2_665 . . 2_665
N3 Co3 O3 C31 -47.01(7) 2_665 . . .
N3 Co3 O4 Co3 -86.24(9) 2_665 . . 2_665
N3 Co3 O4 Co5 174.69(9) 2_665 . . .
N3 Co3 O4 C32 44.9(2) 2_665 . . .
N3 Co3 N6 N7 -31.9(2) 2_665 . . .
N3 Co3 N6 C8 137.1(3) 2_665 . . .
N3 Co3 N11 N10 55.2(2) 2_665 . . .
N3 Co3 N11 C21 -151.6(3) 2_665 . . .
N3 N2 C6 N4 1.8(4) . . . .
N3 N2 C6 C5 -174.1(3) . . . .
N3 C7 C8 N5 161.1(3) . . . .
N3 C7 C8 N6 -19.6(6) . . . .
N4 Co2 O1 Co1 89.49(15) . . . .
N4 Co2 O1 C29 -92.0(6) . . . .
N4 Co2 O2 Co1 -105.45(14) . . . .
N4 Co2 O2 C30 70.9(7) . . . .
N4 Co2 N5 C8 -13.2(2) . . . .
N4 Co2 N5 C9 -161.8(4) . . . .
N4 C7 C8 N5 -17.0(4) . . . .
N4 C7 C8 N6 162.3(3) . . . .
N5 Co2 O1 Co1 -39.7(5) . . . .
N5 Co2 O1 C29 138.8(7) . . . .
N5 Co2 O2 Co1 177.88(14) . . . .
N5 Co2 O2 C30 -5.8(7) . . . .
N5 Co2 N4 C6 -166.7(4) . . . .
N5 Co2 N4 C7 4.4(2) . . . .
N5 C9 C10 N8 176.9(3) . . . .
N5 C9 C10 C11 -8.2(6) . . . .
N6 Co3 O3 Co3 173.16(10) . . . 2_665
N6 Co3 O3 Co3 -87.23(11) . . . 3_565
N6 Co3 O3 C31 42.96(7) . . . .
N6 Co3 O4 Co3 31.5(11) . . . 2_665
N6 Co3 O4 Co5 -67.6(10) . . . .
N6 Co3 O4 C32 162.6(10) . . . .
N6 Co3 N11 N10 -34.4(2) . . . .
N6 Co3 N11 C21 118.7(3) . . . .
N6 N7 C9 N5 1.4(4) . . . .
N6 N7 C9 C10 -174.3(3) . . . .
N7 Co4 N8 C10 13.8(3) . . . .
N7 Co4 N8 C14 -167.9(4) . . . .
N7 Co4 N9 C15 -98.6(4) . . . .
N7 Co4 N9 C19 81.8(3) . . . .
N7 Co4 N10 N11 57.2(3) . . . .
N7 Co4 N10 C20 -126.5(3) . . . .
N7 N6 C8 N5 -0.1(4) . . . .
N7 N6 C8 C7 -179.4(3) . . . .
N7 C9 C10 N8 -8.2(5) . . . .
N7 C9 C10 C11 166.7(4) . . . .
N8 Co4 N7 N6 -178.1(3) . . . .
N8 Co4 N7 C9 -18.7(2) . . . .
N8 Co4 N9 C15 -25.6(4) . . . .
N8 Co4 N9 C19 154.8(3) . . . .
N8 Co4 N10 N11 111.3(3) . . . .
N8 Co4 N10 C20 -72.4(4) . . . .
N8 C10 C11 C12 1.0(7) . . . .
N9 Co4 N7 N6 -96.5(3) . . . .
N9 Co4 N7 C9 62.9(3) . . . .
N9 Co4 N8 C10 -104.8(3) . . . .
N9 Co4 N8 C14 73.5(4) . . . .
N9 Co4 N10 N11 177.1(3) . . . .
N9 Co4 N10 C20 -6.6(3) . . . .
N9 C15 C16 C17 -2.7(9) . . . .
N9 C19 C20 N10 -2.8(6) . . . .
N9 C19 C20 N12 -178.8(4) . . . .
N10 Co4 N7 N6 -25.5(3) . . . .
N10 Co4 N7 C9 133.9(3) . . . .
N10 Co4 N8 C10 -42.8(4) . . . .
N10 Co4 N8 C14 135.4(3) . . . .
N10 Co4 N9 C15 -175.5(4) . . . .
N10 Co4 N9 C19 4.9(3) . . . .
N10 N11 C21 N12 1.4(4) . . . .
N10 N11 C21 C22 -179.0(3) . . . .
N11 Co3 O3 Co3 32.2(8) . . . 3_565
N11 Co3 O3 Co3 -67.4(7) . . . 2_665
N11 Co3 O3 C31 162.4(8) . . . .
N11 Co3 O4 Co3 -176.33(9) . . . 2_665
N11 Co3 O4 Co5 84.59(10) . . . .
N11 Co3 O4 C32 -45.2(2) . . . .
N11 Co3 N6 N7 57.9(2) . . . .
N11 Co3 N6 C8 -133.1(3) . . . .
N11 N10 C20 N12 1.4(4) . . . .
N11 N10 C20 C19 -175.2(3) . . . .
N11 C21 C22 N13 -3.7(6) . . . .
N11 C21 C22 N15 178.2(3) . . . .
N12 Co1 O1 Co2 -52.2(5) 4_666 . . .
N12 Co1 O1 C29 129.2(6) 4_666 . . .
N12 Co1 O2 Co2 158.35(14) 4_666 . . .
N12 Co1 O2 C30 -18.2(7) 4_666 . . .
N12 C21 C22 N13 175.9(3) . . . .
N12 C21 C22 N15 -2.2(4) . . . .
N13 Co5 O4 Co3 -30.3(8) 3_565 . . 2_665
N13 Co5 O4 Co3 87.00(9) 2_665 . . 2_665
N13 Co5 O4 Co3 177.08(9) . . . 2_665
N13 Co5 O4 Co3 68.7(8) 3_565 . . .
N13 Co5 O4 Co3 -173.97(9) 2_665 . . .
N13 Co5 O4 Co3 -83.89(9) . . . .
N13 Co5 O4 C32 44.1(2) . . . .
N13 Co5 O4 C32 -163.4(7) 3_565 . . .
N13 Co5 O4 C32 -46.0(2) 2_665 . . .
N13 Co5 N13 N14 -54.75(16) 2_665 . . .
N13 Co5 N13 N14 35.04(18) 3_565 . . .
N13 Co5 N13 C22 -122.2(3) 3_565 . . .
N13 Co5 N13 C22 148.1(3) 2_665 . . .
N13 N14 C23 N15 -1.5(4) . . . .
N13 N14 C23 C24 172.2(3) . . . .
N14 Co6 N14 N13 -56.8(2) 3_565 . . .
N14 Co6 N14 N13 29.3(2) 2_665 . . .
N14 Co6 N14 C23 128.4(3) 3_565 . . .
N14 Co6 N14 C23 -145.5(3) 2_665 . . .
N14 Co6 N16 C24 47.3(4) 2_665 . . .
N14 Co6 N16 C24 -85.1(3) 3_565 . . .
N14 Co6 N16 C24 -7.2(2) . . . .
N14 Co6 N16 C28 -133.2(3) 2_665 . . .
N14 Co6 N16 C28 94.4(3) 3_565 . . .
N14 Co6 N16 C28 172.3(4) . . . .
N14 N13 C22 N15 0.0(3) . . . .
N14 N13 C22 C21 -178.1(3) . . . .
N14 C23 C24 N16 4.8(5) . . . .
N14 C23 C24 C25 -169.8(4) . . . .
N15 Co1 O1 Co2 102.47(15) 4_666 . . .
N15 Co1 O1 C29 -76.1(6) 4_666 . . .
N15 Co1 O2 Co2 -125.29(13) 4_666 . . .
N15 Co1 O2 C30 58.1(7) 4_666 . . .
N15 C23 C24 N16 177.3(3) . . . .
N15 C23 C24 C25 2.8(6) . . . .
N16 Co6 N14 N13 101.1(3) 2_665 . . .
N16 Co6 N14 N13 -109.1(3) 3_565 . . .
N16 Co6 N14 N13 -175.2(3) . . . .
N16 Co6 N14 C23 10.0(2) . . . .
N16 Co6 N14 C23 76.1(3) 3_565 . . .
N16 Co6 N14 C23 -73.7(3) 2_665 . . .
N16 Co6 N16 C24 -159.5(3) 3_565 . . .
N16 Co6 N16 C24 109.7(3) 2_665 . . .
N16 Co6 N16 C28 20.0(3) 3_565 . . .
N16 Co6 N16 C28 -70.8(3) 2_665 . . .
N16 C24 C25 C26 -0.1(6) . . . .
C1 N1 C5 C4 0.0(6) . . . .
C1 N1 C5 C6 176.2(4) . . . .
C1 C2 C3 C4 -0.6(11) . . . .
C2 C3 C4 C5 -0.6(10) . . . .
C3 C4 C5 N1 1.0(8) . . . .
C3 C4 C5 C6 -174.8(5) . . . .
C4 C5 C6 N2 167.7(4) . . . .
C4 C5 C6 N4 -7.2(7) . . . .
C5 N1 C1 C2 -1.3(8) . . . .
C6 N2 N3 Co3 170.8(2) . . . 3_565
C6 N2 N3 C7 -1.3(3) . . . .
C6 N4 C7 N3 0.6(4) . . . .
C6 N4 C7 C8 179.1(3) . . . .
C7 N4 C6 N2 -1.5(4) . . . .
C7 N4 C6 C5 173.7(4) . . . .
C8 N5 C9 N7 -1.4(4) . . . .
C8 N5 C9 C10 173.7(4) . . . .
C8 N6 N7 Co4 159.9(2) . . . .
C8 N6 N7 C9 -0.7(3) . . . .
C9 N5 C8 N6 0.9(4) . . . .
C9 N5 C8 C7 -179.7(3) . . . .
C9 C10 C11 C12 -173.3(4) . . . .
C10 N8 C14 C13 0.5(6) . . . .
C10 C11 C12 C13 -0.5(8) . . . .
C11 C12 C13 C14 0.0(8) . . . .
C12 C13 C14 N8 0.0(8) . . . .
C14 N8 C10 C9 173.8(4) . . . .
C14 N8 C10 C11 -1.1(6) . . . .
C15 N9 C19 C18 0.4(7) . . . .
C15 N9 C19 C20 177.6(4) . . . .
C15 C16 C17 C18 1.6(10) . . . .
C16 C17 C18 C19 0.3(10) . . . .
C17 C18 C19 N9 -1.3(9) . . . .
C17 C18 C19 C20 -178.3(5) . . . .
C18 C19 C20 N10 174.4(5) . . . .
C18 C19 C20 N12 -1.6(8) . . . .
C19 N9 C15 C16 1.6(7) . . . .
C20 N10 N11 Co3 159.5(2) . . . .
C20 N10 N11 C21 -1.7(4) . . . .
C20 N12 C21 N11 -0.6(4) . . . .
C20 N12 C21 C22 179.8(3) . . . .
C21 N12 C20 N10 -0.6(4) . . . .
C21 N12 C20 C19 175.6(4) . . . .
C22 N13 N14 Co6 -174.3(2) . . . .
C22 N13 N14 C23 0.9(3) . . . .
C22 N15 C23 N14 1.4(4) . . . .
C22 N15 C23 C24 -171.5(3) . . . .
C23 N15 C22 N13 -0.8(4) . . . .
C23 N15 C22 C21 177.6(3) . . . .
C23 C24 C25 C26 174.0(4) . . . .
C24 N16 C28 C27 1.5(6) . . . .
C24 C25 C26 C27 1.3(7) . . . .
C25 C26 C27 C28 -1.2(8) . . . .
C26 C27 C28 N16 -0.3(8) . . . .
C28 N16 C24 C23 -175.9(3) . . . .
C28 N16 C24 C25 -1.3(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
_platon_squeeze_void_content
1 -0.001 0.000 -0.010 3185 431 ' '
