#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:24:26 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179629 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/93/4509329.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509329
loop_
_publ_author_name
'Li, Zuo-Xi'
'Xu, Yao'
'Zuo, Yi'
'Li, Lei'
'Pan, Qinhe'
'Hu, Tong-Liang'
'Bu, Xian-He'
_publ_section_title
;
 Varying Ligand Backbones for Modulating the Interpenetration of
 Coordination Polymers Based on Homoleptic Cobalt(II) Nodes
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3904
_journal_paper_doi               10.1021/cg801250g
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C80 H56 Cl4 Co2 N16 O16'
_chemical_formula_weight         1757.07
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 104.838(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.6034(17)
_cell_length_b                   19.277(3)
_cell_length_c                   20.049(3)
_cell_measurement_reflns_used    11274
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      26.3726
_cell_measurement_theta_min      0.999047
_cell_volume                     3961.4(11)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_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      113(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ω
_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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0522
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9928
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_exptl_absorpt_coefficient_mu    0.632
_exptl_absorpt_correction_T_max  0.904
_exptl_absorpt_correction_T_min  0.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1796
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.816
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     438
_refine_ls_number_reflns         3487
_refine_ls_number_restraints     171
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1111
_refine_ls_R_factor_gt           0.0712
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1354P)²+8.2313P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1917
_refine_ls_wR_factor_ref         0.2311
_reflns_number_gt                2271
_reflns_number_total             3494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg801250gsup1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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_sg_symbol_H-M      c2/c
_cod_database_code               4509329
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.0000 0.12673(5) 0.7500 0.0462(4) Uani 1 2 d SD . .
C12 C 0.2841(7) 0.2506(4) 0.6899(3) 0.080(4) Uani 0.557(6) 1 d PGD A 1
C13 C 0.3927(8) 0.2935(5) 0.7094(5) 0.116(6) Uani 0.557(6) 1 d PGD . 1
H13A H 0.4348 0.3111 0.6750 0.139 Uiso 0.557(6) 1 d PR A 1
C14 C 0.4416(8) 0.3116(5) 0.7783(5) 0.129(6) Uani 0.557(6) 1 d PGD . 1
H14A H 0.5177 0.3417 0.7916 0.154 Uiso 0.557(6) 1 d PR A 1
C15 C 0.3820(10) 0.2867(5) 0.8277(4) 0.124(6) Uani 0.557(6) 1 d PGD A 1
H15A H 0.4160 0.2992 0.8754 0.149 Uiso 0.557(6) 1 d PR A 1
C16 C 0.2735(10) 0.2437(5) 0.8082(3) 0.099(5) Uani 0.557(6) 1 d PGD A 1
H16A H 0.2313 0.2261 0.8426 0.118 Uiso 0.557(6) 1 d PR A 1
C17 C 0.2246(7) 0.2257(3) 0.7393(4) 0.069(3) Uani 0.557(6) 1 d PGD A 1
N3 N 0.1168(9) 0.1830(6) 0.7079(7) 0.049(5) Uani 0.557(6) 1 d PD A 1
N4 N 0.2084(12) 0.2216(7) 0.6272(6) 0.079(6) Uani 0.557(6) 1 d PD A 1
C11 C 0.1128(13) 0.1829(8) 0.6408(7) 0.047(4) Uani 0.557(6) 1 d PD A 1
H11A H 0.0490 0.1581 0.6062 0.056 Uiso 0.557(6) 1 d PR A 1
C18 C 0.2352(9) 0.2301(6) 0.5612(5) 0.055(3) Uiso 0.557(6) 1 d PD A 1
C19 C 0.3473(12) 0.2057(7) 0.5503(5) 0.081(4) Uani 0.557(6) 1 d PD . 1
H19 H 0.4079 0.1764 0.5784 0.097 Uiso 0.557(6) 1 calc PR A 1
C20 C 0.149(2) 0.2665(19) 0.5108(10) 0.116(10) Uani 0.557(6) 1 d PD . 1
H20 H 0.0690 0.2735 0.5212 0.140 Uiso 0.557(6) 1 calc PR A 1
N3' N 0.1108(11) 0.1909(13) 0.7123(12) 0.082(10) Uani 0.443(6) 1 d PD A 2
N4' N 0.1821(12) 0.2411(12) 0.6283(6) 0.064(5) Uani 0.443(6) 1 d PD A 2
C11' C 0.1488(14) 0.1815(11) 0.6543(11) 0.059(7) Uani 0.443(6) 1 d PD A 2
H11B H 0.1518 0.1383 0.6340 0.071 Uiso 0.443(6) 1 calc PR A 2
C12' C 0.1657(8) 0.2907(4) 0.6709(4) 0.065(4) Uani 0.443(6) 1 d PGDU A 2
C13' C 0.1847(11) 0.3620(4) 0.6695(5) 0.097(5) Uani 0.443(6) 1 d PGDU A 2
H13B H 0.2159 0.3833 0.6326 0.116 Uiso 0.443(6) 1 d PR A 2
C14' C 0.1591(12) 0.4037(4) 0.7211(6) 0.092(5) Uani 0.443(6) 1 d PGDU A 2
H14B H 0.1727 0.4550 0.7202 0.110 Uiso 0.443(6) 1 d PR A 2
C15' C 0.1145(12) 0.3741(5) 0.7740(5) 0.121(7) Uani 0.443(6) 1 d PGDU A 2
H15B H 0.0969 0.4041 0.8100 0.146 Uiso 0.443(6) 1 d PR A 2
C16' C 0.0955(11) 0.3028(5) 0.7754(4) 0.107(6) Uani 0.443(6) 1 d PGDU . 2
H16B H 0.0643 0.2814 0.8122 0.128 Uiso 0.443(6) 1 d PR A 2
C17' C 0.1211(8) 0.2611(4) 0.7238(4) 0.065(3) Uani 0.443(6) 1 d PGDU A 2
C18' C 0.2106(10) 0.2523(7) 0.5632(6) 0.043(3) Uiso 0.443(6) 1 d PD A 2
C19' C 0.3324(14) 0.2329(9) 0.5560(10) 0.075(6) Uiso 0.443(6) 1 d PD . 2
H19' H 0.3962 0.2285 0.5974 0.090 Uiso 0.443(6) 1 calc PR A 2
C20' C 0.1184(18) 0.2832(15) 0.5109(8) 0.061(5) Uani 0.443(6) 1 d PD . 2
H20' H 0.0445 0.3077 0.5139 0.073 Uiso 0.443(6) 1 calc PR A 2
N1 N -0.0962(4) 0.0673(2) 0.6723(2) 0.0522(10) Uani 1 1 d . A .
N2 N -0.2514(4) 0.0230(2) 0.5875(2) 0.0578(11) Uani 1 1 d . A .
C1 C -0.2216(5) 0.0685(3) 0.6403(3) 0.0523(12) Uani 1 1 d . . .
H1A H -0.2822 0.0973 0.6527 0.063 Uiso 1 1 calc R A .
C2 C -0.0414(5) 0.0169(3) 0.6379(3) 0.0604(14) Uani 1 1 d . . .
C3 C 0.0865(6) -0.0061(4) 0.6498(3) 0.085(2) Uani 1 1 d . A .
H3A H 0.1527 0.0122 0.6853 0.101 Uiso 1 1 calc R . .
C4 C 0.1106(8) -0.0564(5) 0.6074(5) 0.117(3) Uani 1 1 d . . .
H4A H 0.1949 -0.0738 0.6150 0.141 Uiso 1 1 calc R A .
C5 C 0.0155(10) -0.0824(5) 0.5542(5) 0.121(3) Uani 1 1 d . A .
H5A H 0.0379 -0.1156 0.5255 0.145 Uiso 1 1 calc R . .
C6 C -0.1109(9) -0.0615(4) 0.5415(4) 0.096(2) Uani 1 1 d . . .
H6A H -0.1759 -0.0805 0.5059 0.115 Uiso 1 1 calc R A .
C7 C -0.1377(6) -0.0101(3) 0.5846(3) 0.0661(15) Uani 1 1 d . A .
C8 C -0.3796(5) 0.0113(3) 0.5427(3) 0.0580(14) Uani 1 1 d . . .
C9 C -0.4841(9) 0.0021(6) 0.5694(4) 0.075(4) Uani 0.664(13) 1 d P . 1
H9 H -0.4734 0.0046 0.6169 0.089 Uiso 0.664(13) 1 calc PR . 1
C10 C -0.3955(10) 0.0107(7) 0.4730(5) 0.083(4) Uani 0.664(13) 1 d P . 1
H10 H -0.3248 0.0190 0.4546 0.099 Uiso 0.664(13) 1 calc PR . 1
C9' C -0.439(2) -0.0547(11) 0.5409(13) 0.093(9) Uani 0.336(13) 1 d P . 2
H9' H -0.3967 -0.0911 0.5682 0.111 Uiso 0.336(13) 1 calc PR . 2
C10' C -0.437(2) 0.0631(11) 0.5038(13) 0.091(9) Uani 0.336(13) 1 d P . 2
H10' H -0.3943 0.1055 0.5060 0.109 Uiso 0.336(13) 1 calc PR . 2
Cl1 Cl 1.0097(16) 0.4120(2) 0.2448(10) 0.100(2) Uani 0.50 1 d PD . .
O1 O 1.0491(17) 0.3613(8) 0.2035(12) 0.150(8) Uani 0.50 1 d PD . .
O2 O 1.0905(14) 0.4718(6) 0.2472(10) 0.166(7) Uani 0.50 1 d PD . .
O3 O 1.025(3) 0.3869(10) 0.3123(11) 0.208(13) Uani 0.50 1 d PD . .
O4 O 0.8787(13) 0.4309(8) 0.2157(15) 0.210(12) Uani 0.50 1 d PD . .
Cl2 Cl 0.2454(9) 0.7451(5) 0.4846(4) 0.110(2) Uani 0.50 1 d PD . .
O5 O 0.251(5) 0.8063(12) 0.5258(17) 0.20(2) Uani 0.227(18) 1 d PDU . .
O6 O 0.3199(16) 0.7572(13) 0.4339(9) 0.086(9) Uani 0.227(18) 1 d PDU . .
O7 O 0.1142(17) 0.729(2) 0.4496(11) 0.149(14) Uani 0.227(18) 1 d PDU . .
O8 O 0.304(3) 0.6877(17) 0.5274(15) 0.105(10) Uani 0.227(18) 1 d PDU . .
O5' O 0.165(3) 0.7900(14) 0.5132(13) 0.175(15) Uani 0.273(18) 1 d PDU . .
O6' O 0.307(3) 0.7840(16) 0.4405(11) 0.25(3) Uani 0.273(18) 1 d PDU . .
O7' O 0.169(3) 0.6898(11) 0.4469(10) 0.114(10) Uani 0.273(18) 1 d PDU . .
O8' O 0.3472(18) 0.7156(14) 0.5408(8) 0.087(8) Uani 0.273(18) 1 d PDU . .
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'
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'
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
N3' Co1 N3' 102.8(17) . 2_556
N3 Co1 N3 113.9(8) . 2_556
N1 Co1 N1 109.8(3) . 2_556
N3' Co1 N1 107.2(8) . .
N3' Co1 N1 114.9(4) 2_556 .
N3 Co1 N1 103.4(4) . .
N3 Co1 N1 113.3(3) 2_556 .
N3' Co1 N1 114.9(4) . 2_556
N3 Co1 N1 113.3(3) . 2_556
C1 N1 C2 105.4(4) . .
C1 N1 Co1 128.4(4) . .
C2 N1 Co1 126.1(4) . .
C1 N2 C7 107.6(4) . .
C1 N2 C8 125.8(5) . .
C7 N2 C8 126.6(4) . .
N1 C1 N2 112.0(5) . .
N1 C1 H1A 124.0 . .
N2 C1 H1A 124.0 . .
C7 C2 C3 120.8(5) . .
C7 C2 N1 109.0(5) . .
C3 C2 N1 130.3(5) . .
C4 C3 C2 116.9(7) . .
C4 C3 H3A 121.6 . .
C2 C3 H3A 121.6 . .
C3 C4 C5 122.3(7) . .
C3 C4 H4A 118.9 . .
C5 C4 H4A 118.9 . .
C6 C5 C4 122.3(7) . .
C6 C5 H5A 118.8 . .
C4 C5 H5A 118.8 . .
C5 C6 C7 116.2(7) . .
C5 C6 H6A 121.9 . .
C7 C6 H6A 121.9 . .
C2 C7 N2 106.0(4) . .
C2 C7 C6 121.5(6) . .
N2 C7 C6 132.5(6) . .
C9 C8 C10 120.2(7) . .
C10' C8 C9' 122.2(11) . .
C10' C8 N2 117.9(9) . .
C9 C8 N2 120.6(5) . .
C10 C8 N2 119.2(6) . .
C9' C8 N2 119.8(9) . .
C8 C9 C10 120.3(8) . 5_456
C8 C9 H9 119.8 . .
C10 C9 H9 119.8 5_456 .
C9 C10 C8 119.4(8) 5_456 .
C9 C10 H10 120.3 5_456 .
C8 C10 H10 120.3 . .
C10' C9' C8 117.2(16) 5_456 .
C10' C9' H9' 121.4 5_456 .
C8 C9' H9' 121.4 . .
C8 C10' C9' 120.5(16) . 5_456
C8 C10' H10' 119.7 . .
C9' C10' H10' 119.7 5_456 .
C13 C12 C17 120.0 . .
C13 C12 N4 136.3(6) . .
C17 C12 N4 103.7(6) . .
C14 C13 C12 120.0 . .
C14 C13 H13A 119.6 . .
C12 C13 H13A 120.4 . .
C13 C14 C15 120.0 . .
C13 C14 H14A 119.6 . .
C15 C14 H14A 120.4 . .
C16 C15 C14 120.0 . .
C16 C15 H15A 120.1 . .
C14 C15 H15A 119.9 . .
C15 C16 C17 120.0 . .
C15 C16 H16A 120.4 . .
C17 C16 H16A 119.6 . .
C16 C17 C12 120.0 . .
C16 C17 N3 129.8(6) . .
C12 C17 N3 110.2(6) . .
C11 N3 C17 105.2(9) . .
C11 N3 Co1 124.4(9) . .
C17 N3 Co1 130.3(9) . .
C11 N4 C12 108.9(10) . .
C11 N4 C18 126.3(12) . .
C12 N4 C18 124.8(10) . .
N3 C11 N4 112.0(11) . .
N3 C11 H11A 124.2 . .
N4 C11 H11A 123.9 . .
C19 C18 C20 120.8(10) . .
C19 C18 N4 120.1(7) . .
C20 C18 N4 119.0(9) . .
C18 C19 C20 104.1(13) . 7_556
C18 C19 H19 128.0 . .
C20 C19 H19 128.0 7_556 .
C19 C20 C18 134.5(17) 7_556 .
C19 C20 H20 112.7 7_556 .
C18 C20 H20 112.7 . .
C11' N3' C17' 104.5(12) . .
C11' N3' Co1 125.9(18) . .
C17' N3' Co1 125.5(17) . .
C12' N4' C11' 106.1(14) . .
C12' N4' C18' 124.9(17) . .
C11' N4' C18' 128(2) . .
N3' C11' N4' 112.8(13) . .
N3' C11' H11B 123.6 . .
N4' C11' H11B 123.6 . .
N4' C12' C13' 131.2(9) . .
N4' C12' C17' 108.8(9) . .
C13' C12' C17' 120.0 . .
C12' C13' C14' 120.0 . .
C12' C13' H13B 120.8 . .
C14' C13' H13B 119.2 . .
C13' C14' C15' 120.0 . .
C13' C14' H14B 120.2 . .
C15' C14' H14B 119.8 . .
C16' C15' C14' 120.0 . .
C16' C15' H15B 120.9 . .
C14' C15' H15B 119.1 . .
C15' C16' C17' 120.0 . .
C15' C16' H16B 120.7 . .
C17' C16' H16B 119.3 . .
N3' C17' C16' 132.2(10) . .
N3' C17' C12' 107.8(10) . .
C16' C17' C12' 120.0 . .
C20' C18' C19' 122.5(12) . .
C20' C18' N4' 119.2(9) . .
C19' C18' N4' 118.3(8) . .
C18' C19' C20' 131.0(15) . 7_556
C18' C19' H19' 114.5 . .
C20' C19' H19' 114.5 7_556 .
C18' C20' C19' 103.7(16) . 7_556
C18' C20' H20' 128.1 . .
C19' C20' H20' 128.1 7_556 .
O3 Cl1 O4 110.3(8) . .
O3 Cl1 O1 110.3(7) . .
O4 Cl1 O1 110.2(8) . .
O3 Cl1 O2 108.9(8) . .
O4 Cl1 O2 108.9(7) . .
O1 Cl1 O2 108.2(7) . .
O7' Cl2 O5' 110.0(7) . .
O7' Cl2 O6' 110.5(7) . .
O7' Cl2 O8' 108.8(7) . .
O5' Cl2 O6' 110.2(7) . .
O5' Cl2 O8' 108.9(7) . .
O6' Cl2 O8' 108.3(7) . .
O7 Cl2 O8 110.2(7) . .
O5 Cl2 O8 109.9(7) . .
O7 Cl2 O5 111.1(7) . .
O7 Cl2 O6 109.1(7) . .
O5 Cl2 O6 108.6(7) . .
O8 Cl2 O6 107.9(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N3' 1.983(9) .
Co1 N3' 1.983(9) 2_556
Co1 N3 1.989(6) .
Co1 N3 1.989(6) 2_556
Co1 N1 1.991(4) .
Co1 N1 1.991(4) 2_556
N1 C2 1.402(6) .
C2 C3 1.388(8) .
C3 H3A 0.9300 .
C3 C4 1.357(10) .
C4 H4A 0.9300 .
C4 C5 1.362(12) .
C5 H5A 0.9300 .
C5 C6 1.360(11) .
C6 H6A 0.9300 .
C6 C7 1.392(8) .
N2 C7 1.379(7) .
N2 C1 1.348(6) .
N1 C1 1.320(6) .
C1 H1A 0.9300 .
C2 C7 1.377(8) .
N2 C8 1.443(7) .
C8 C10' 1.31(2) .
C8 C9 1.360(10) .
C8 C10 1.365(10) .
C8 C9' 1.42(2) .
C9 C10 1.363(13) 5_456
C9 H9 0.9300 .
C10 C9 1.363(13) 5_456
C10 H10 0.9300 .
C9' C10' 1.40(3) 5_456
C9' H9' 0.9300 .
C10' C9' 1.40(3) 5_456
C10' H10' 0.9300 .
N3 C11 1.335(9) .
C11 H11A 0.9631 .
N4 C11 1.341(9) .
C12 N4 1.421(15) .
C12 C13 1.3900 .
C13 C14 1.3900 .
C13 H13A 0.9735 .
C14 C15 1.3900 .
C14 H14A 0.9747 .
C15 C16 1.3900 .
C15 H15A 0.9622 .
C16 C17 1.3900 .
C16 H16A 0.9736 .
C17 N3 1.418(13) .
C12 C17 1.3900 .
N4 C18 1.433(9) .
C18 C19 1.347(9) .
C18 C20 1.370(9) .
C19 C20 1.348(19) 7_556
C19 H19 0.9300 .
C20 C19 1.348(19) 7_556
C20 H20 0.9300 .
N3' C11' 1.338(9) .
N4' C11' 1.346(10) .
C11' H11B 0.9300 .
N4' C12' 1.32(2) .
C12' C13' 1.3900 .
C13' C14' 1.3900 .
C13' H13B 0.9745 .
C14' C15' 1.3900 .
C14' H14B 1.0016 .
C15' C16' 1.3900 .
C15' H15B 0.9793 .
C16' C17' 1.3900 .
C16' H16B 0.9747 .
C12' C17' 1.3900 .
N3' C17' 1.37(3) .
N4' C18' 1.429(10) .
C18' C20' 1.373(10) .
C18' C19' 1.388(10) .
C19' C20' 1.59(2) 7_556
C19' H19' 0.9300 .
C20' C19' 1.59(2) 7_556
C20' H20' 0.9300 .
Cl1 O1 1.412(9) .
Cl1 O2 1.430(9) .
Cl1 O3 1.407(10) .
Cl1 O4 1.409(10) .
Cl2 O7 1.423(10) .
Cl2 O5 1.432(10) .
Cl2 O7' 1.434(10) .
Cl2 O5' 1.436(10) .
Cl2 O8' 1.461(10) .
Cl2 O6' 1.439(10) .
Cl2 O8 1.443(10) .
Cl2 O6 1.456(10) .
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
N3' Co1 N1 C1 -108.8(8) . .
N3' Co1 N1 C1 4.8(11) 2_556 .
N3 Co1 N1 C1 -113.1(6) . .
N3 Co1 N1 C1 10.7(7) 2_556 .
N1 Co1 N1 C1 125.7(5) 2_556 .
N3' Co1 N1 C2 67.9(8) . .
N3' Co1 N1 C2 -178.5(11) 2_556 .
N3 Co1 N1 C2 63.6(5) . .
N3 Co1 N1 C2 -172.6(6) 2_556 .
N1 Co1 N1 C2 -57.6(4) 2_556 .
N3' Co1 N3' C11' -142.3(9) 2_556 .
N1 Co1 N3' C11' 101.5(7) 2_556 .
N1 Co1 N3' C11' -20.8(10) . .
N3' Co1 N3' C17' 11.3(5) 2_556 .
N1 Co1 N3' C17' -104.8(7) 2_556 .
N1 Co1 N3' C17' 132.9(10) . .
N3 Co1 N3 C11 -116.5(6) 2_556 .
N1 Co1 N3 C11 125.7(5) 2_556 .
N1 Co1 N3 C11 6.9(6) . .
N3 Co1 N3 C17 69.2(8) 2_556 .
N1 Co1 N3 C17 -48.7(9) 2_556 .
N1 Co1 N3 C17 -167.4(7) . .
C2 N1 C1 N2 -0.5(6) . .
Co1 N1 C1 N2 176.7(3) . .
C7 N2 C1 N1 -0.1(6) . .
C8 N2 C1 N1 179.5(5) . .
C1 N1 C2 C7 0.9(6) . .
Co1 N1 C2 C7 -176.4(4) . .
C1 N1 C2 C3 -179.7(6) . .
Co1 N1 C2 C3 3.0(9) . .
C7 C2 C3 C4 -0.9(11) . .
N1 C2 C3 C4 179.8(7) . .
C2 C3 C4 C5 1.8(14) . .
C3 C4 C5 C6 -2.5(16) . .
C4 C5 C6 C7 2.1(15) . .
C3 C2 C7 N2 179.5(6) . .
N1 C2 C7 N2 -1.0(6) . .
C3 C2 C7 C6 0.6(10) . .
N1 C2 C7 C6 -180.0(6) . .
C1 N2 C7 C2 0.7(6) . .
C8 N2 C7 C2 -178.9(5) . .
C1 N2 C7 C6 179.5(7) . .
C8 N2 C7 C6 -0.1(11) . .
C5 C6 C7 C2 -1.1(11) . .
C5 C6 C7 N2 -179.8(8) . .
C1 N2 C8 C9 -47.6(10) . .
C1 N2 C8 C10 131.3(8) . .
C1 N2 C8 C9' -117.7(14) . .
C1 N2 C8 C10' 63.4(16) . .
C7 N2 C8 C9 131.9(8) . .
C7 N2 C8 C10 -49.1(10) . .
C7 N2 C8 C9' 61.8(15) . .
C7 N2 C8 C10' -117.1(16) . .
N2 C8 C9 C10 -178.3(9) . 5_456
N2 C8 C10 C9 178.3(9) . 5_456
N2 C8 C9' C10' -179.7(18) . 5_456
N2 C8 C10' C9' 179.8(19) . 5_456
C10 C8 C9 C10 2.8(18) . 5_456
C9 C8 C10 C9 -2.8(18) . 5_456
C10' C8 C9' C10' -1(4) . 5_456
C9' C8 C10' C9' 1(4) . 5_456
C17 C12 C13 C14 0.0 . .
N4 C12 C13 C14 -180.0(4) . .
C12 C13 C14 C15 0.0 . .
C13 C14 C15 C16 0.0 . .
C14 C15 C16 C17 0.0 . .
C15 C16 C17 C12 0.0 . .
C15 C16 C17 N3 179.8(4) . .
C13 C12 C17 C16 0.0 . .
N4 C12 C17 C16 180.0(3) . .
C13 C12 C17 N3 -179.8(3) . .
N4 C12 C17 N3 0.1(3) . .
C16 C17 N3 C11 -180.0(2) . .
C12 C17 N3 C11 -0.1(2) . .
C16 C17 N3 Co1 -4.8(10) . .
C12 C17 N3 Co1 175.0(8) . .
C13 C12 N4 C11 179.9(3) . .
C17 C12 N4 C11 -0.1(2) . .
C13 C12 N4 C18 2.7(11) . .
C17 C12 N4 C18 -177.3(10) . .
C17 N3 C11 N4 0.09(18) . .
Co1 N3 C11 N4 -175.5(8) . .
C12 N4 C11 N3 0.00(19) . .
C18 N4 C11 N3 177.1(10) . .
C11 N4 C18 C19 -114.2(11) . .
C12 N4 C18 C19 62.5(15) . .
C11 N4 C18 C20 69(2) . .
C12 N4 C18 C20 -114(2) . .
C20 C18 C19 C20 8(4) . 7_556
N4 C18 C19 C20 -169(2) . 7_556
C19 C18 C20 C19 -10(5) . 7_556
N4 C18 C20 C19 166(3) . 7_556
C17' N3' C11' N4' -0.11(19) . .
Co1 N3' C11' N4' 158.0(10) . .
C12' N4' C11' N3' 0.2(2) . .
C18' N4' C11' N3' -171.0(11) . .
C11' N4' C12' C13' -179.8(3) . .
C18' N4' C12' C13' -8.2(12) . .
C11' N4' C12' C17' -0.2(2) . .
C18' N4' C12' C17' 171.4(11) . .
N4' C12' C13' C14' 179.6(4) . .
C17' C12' C13' C14' 0.0 . .
C12' C13' C14' C15' 0.0 . .
C13' C14' C15' C16' 0.0 . .
C14' C15' C16' C17' 0.0 . .
C11' N3' C17' C16' 179.8(3) . .
Co1 N3' C17' C16' 21.5(12) . .
C11' N3' C17' C12' 0.0(2) . .
Co1 N3' C17' C12' -158.2(10) . .
C15' C16' C17' N3' -179.7(4) . .
C15' C16' C17' C12' 0.0 . .
N4' C12' C17' N3' 0.1(3) . .
C13' C12' C17' N3' 179.8(3) . .
N4' C12' C17' C16' -179.7(3) . .
C13' C12' C17' C16' 0.0 . .
C12' N4' C18' C20' -66(2) . .
C11' N4' C18' C20' 103.2(18) . .
C12' N4' C18' C19' 112.1(13) . .
C11' N4' C18' C19' -78.3(15) . .
C20' C18' C19' C20' -22(4) . 7_556
N4' C18' C19' C20' 159(2) . 7_556
C19' C18' C20' C19' 17(3) . 7_556
N4' C18' C20' C19' -164.5(16) . 7_556
