#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:53:23 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179994 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/88/7028829.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_7028829
loop_
_publ_author_name
'Dey, Soumyajit'
'Rath, Sankar Prasad'
_publ_section_title
;
 Syn-anti conformational switching in an ethane-bridged Co(II)bisporphyrin
 induced by external stimuli: effects of inter-macrocyclic interactions,
 axial ligation and chemical and electrochemical oxidations.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2301
_journal_page_last               2314
_journal_paper_doi               10.1039/c3dt52784k
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C98 H114 Cl14 Co2 N18'
_chemical_formula_weight         2158.23
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 110.454(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   22.991(3)
_cell_length_b                   13.454(2)
_cell_length_c                   18.836(3)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.5
_cell_volume                     5459.0(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  SHELXS-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX'
_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  0.0000
_diffrn_reflns_av_unetI/netI     0.0799
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10101
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.30
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.698
_exptl_absorpt_correction_T_max  0.9593
_exptl_absorpt_correction_T_min  0.9210
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.05 (Sheldrick, 2002)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2240
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.122
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     627
_refine_ls_number_reflns         10101
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.1144
_refine_ls_R_factor_gt           0.0758
_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)+(0.1165P)²+5.7179P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1897
_refine_ls_wR_factor_ref         0.2163
_reflns_number_gt                6850
_reflns_number_total             10101
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52784k.txt
_cod_data_source_block           16decc
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        5459.4(14)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7028829
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.28841(3) 0.10096(5) 0.33126(4) 0.02237(19) Uani 1 1 d .
N1 N 0.35318(18) 0.0293(3) 0.3087(2) 0.0249(9) Uani 1 1 d .
N2 N 0.22499(18) 0.0209(3) 0.2574(2) 0.0232(9) Uani 1 1 d .
N3 N 0.22294(18) 0.1747(3) 0.3513(2) 0.0239(9) Uani 1 1 d .
N4 N 0.35231(18) 0.1803(3) 0.4054(2) 0.0235(9) Uani 1 1 d .
N5 N 0.28648(18) 0.1980(3) 0.2527(2) 0.0255(9) Uani 1 1 d .
N6 N 0.2852(2) 0.3315(3) 0.1382(3) 0.0377(11) Uani 1 1 d .
N7 N 0.29132(18) 0.0066(3) 0.4112(2) 0.0232(9) Uani 1 1 d .
N8 N 0.2980(2) -0.1271(3) 0.5271(2) 0.0338(10) Uani 1 1 d .
C1 C 0.4156(2) 0.0221(4) 0.3522(3) 0.0276(11) Uani 1 1 d .
C2 C 0.4466(2) -0.0404(4) 0.3134(3) 0.0331(12) Uani 1 1 d .
C3 C 0.4033(2) -0.0638(4) 0.2445(3) 0.0315(12) Uani 1 1 d .
C4 C 0.3454(2) -0.0241(4) 0.2439(3) 0.0280(11) Uani 1 1 d .
C5 C 0.2884(2) -0.0506(4) 0.1901(3) 0.0281(11) Uani 1 1 d .
H5A H 0.2879 -0.0796 0.1439 0.034 Uiso 1 1 calc R
C6 C 0.2325(2) -0.0366(4) 0.2009(3) 0.0264(11) Uani 1 1 d .
C7 C 0.1746(2) -0.0851(4) 0.1575(3) 0.0295(11) Uani 1 1 d .
C8 C 0.1330(2) -0.0585(4) 0.1894(3) 0.0276(11) Uani 1 1 d .
C9 C 0.1640(2) 0.0107(3) 0.2500(3) 0.0240(10) Uani 1 1 d .
C10 C 0.1347(2) 0.0666(4) 0.2893(3) 0.0271(11) Uani 1 1 d .
H10A H 0.0941 0.0479 0.2863 0.032 Uiso 1 1 calc R
C11 C 0.1618(2) 0.1481(4) 0.3326(3) 0.0286(11) Uani 1 1 d .
C12 C 0.1288(2) 0.2245(4) 0.3573(3) 0.0348(13) Uani 1 1 d .
C13 C 0.1698(2) 0.2986(4) 0.3881(3) 0.0309(12) Uani 1 1 d .
C14 C 0.2289(2) 0.2654(4) 0.3871(3) 0.0261(11) Uani 1 1 d .
C15 C 0.2854(2) 0.3113(4) 0.4236(3) 0.0289(11) Uani 1 1 d .
H15A H 0.2847 0.3772 0.4415 0.035 Uiso 1 1 calc R
C16 C 0.3423(2) 0.2685(4) 0.4360(3) 0.0256(11) Uani 1 1 d .
C17 C 0.4005(2) 0.3046(4) 0.4887(3) 0.0295(11) Uani 1 1 d .
C18 C 0.4441(2) 0.2358(4) 0.4921(3) 0.0306(12) Uani 1 1 d .
C19 C 0.4145(2) 0.1568(4) 0.4391(3) 0.0271(11) Uani 1 1 d .
C20 C 0.4431(2) 0.0747(4) 0.4196(3) 0.0295(12) Uani 1 1 d .
C21 C 0.5144(3) -0.0653(4) 0.3345(4) 0.0427(15) Uani 1 1 d .
H21A H 0.5188 -0.1235 0.3046 0.051 Uiso 1 1 calc R
H21B H 0.5314 -0.0838 0.3888 0.051 Uiso 1 1 calc R
C22 C 0.5521(2) 0.0213(4) 0.3205(3) 0.0343(12) Uani 1 1 d .
H22A H 0.5956 0.0012 0.3340 0.052 Uiso 1 1 calc R
H22B H 0.5493 0.0782 0.3515 0.052 Uiso 1 1 calc R
H22C H 0.5355 0.0399 0.2668 0.052 Uiso 1 1 calc R
C23 C 0.4112(3) -0.1217(4) 0.1802(4) 0.0399(14) Uani 1 1 d .
H23A H 0.4535 -0.1100 0.1793 0.048 Uiso 1 1 calc R
H23B H 0.3811 -0.0970 0.1317 0.048 Uiso 1 1 calc R
C24 C 0.4015(4) -0.2335(4) 0.1864(4) 0.0574(18) Uani 1 1 d .
H24A H 0.4064 -0.2675 0.1429 0.086 Uiso 1 1 calc R
H24B H 0.3597 -0.2456 0.1871 0.086 Uiso 1 1 calc R
H24C H 0.4323 -0.2589 0.2333 0.086 Uiso 1 1 calc R
C25 C 0.1681(3) -0.1582(4) 0.0946(3) 0.0360(13) Uani 1 1 d .
H25A H 0.1940 -0.1359 0.0653 0.043 Uiso 1 1 calc R
H25B H 0.1244 -0.1592 0.0599 0.043 Uiso 1 1 calc R
C26 C 0.1874(4) -0.2628(5) 0.1238(4) 0.0593(19) Uani 1 1 d .
H26A H 0.1827 -0.3073 0.0810 0.089 Uiso 1 1 calc R
H26B H 0.1611 -0.2861 0.1516 0.089 Uiso 1 1 calc R
H26C H 0.2309 -0.2625 0.1577 0.089 Uiso 1 1 calc R
C27 C 0.0660(2) -0.0873(4) 0.1651(3) 0.0382(13) Uani 1 1 d .
H27A H 0.0525 -0.0861 0.2095 0.046 Uiso 1 1 calc R
H27B H 0.0610 -0.1561 0.1451 0.046 Uiso 1 1 calc R
C28 C 0.0257(3) -0.0184(6) 0.1051(4) 0.064(2) Uani 1 1 d .
H28A H -0.0177 -0.0396 0.0903 0.096 Uiso 1 1 calc R
H28B H 0.0387 -0.0201 0.0608 0.096 Uiso 1 1 calc R
H28C H 0.0298 0.0495 0.1252 0.096 Uiso 1 1 calc R
C29 C 0.0615(3) 0.2193(5) 0.3496(4) 0.0498(17) Uani 1 1 d .
H29A H 0.0457 0.2876 0.3500 0.060 Uiso 1 1 calc R
H29B H 0.0376 0.1890 0.3001 0.060 Uiso 1 1 calc R
C30 C 0.0509(4) 0.1609(9) 0.4108(6) 0.105(3) Uani 1 1 d .
H30A H 0.0062 0.1535 0.3997 0.158 Uiso 1 1 calc R
H30B H 0.0697 0.1955 0.4592 0.158 Uiso 1 1 calc R
H30C H 0.0699 0.0950 0.4138 0.158 Uiso 1 1 calc R
C31 C 0.1582(3) 0.3969(4) 0.4186(3) 0.0355(13) Uani 1 1 d .
H31A H 0.1156 0.4192 0.3888 0.043 Uiso 1 1 calc R
H31B H 0.1874 0.4466 0.4114 0.043 Uiso 1 1 calc R
C32 C 0.1656(3) 0.3940(5) 0.5025(4) 0.0529(17) Uani 1 1 d .
H32A H 0.1575 0.4601 0.5187 0.079 Uiso 1 1 calc R
H32B H 0.2080 0.3737 0.5326 0.079 Uiso 1 1 calc R
H32C H 0.1361 0.3462 0.5100 0.079 Uiso 1 1 calc R
C33 C 0.4078(3) 0.3966(4) 0.5358(3) 0.0354(13) Uani 1 1 d .
H33A H 0.3741 0.4439 0.5100 0.042 Uiso 1 1 calc R
H33B H 0.4479 0.4288 0.5415 0.042 Uiso 1 1 calc R
C34 C 0.4057(3) 0.3715(5) 0.6133(3) 0.0498(16) Uani 1 1 d .
H34A H 0.4201 0.4288 0.6471 0.075 Uiso 1 1 calc R
H34B H 0.4327 0.3143 0.6342 0.075 Uiso 1 1 calc R
H34C H 0.3630 0.3552 0.6088 0.075 Uiso 1 1 calc R
C35 C 0.5122(2) 0.2556(5) 0.5344(3) 0.0430(15) Uani 1 1 d .
H35A H 0.5320 0.1944 0.5612 0.052 Uiso 1 1 calc R
H35B H 0.5164 0.3077 0.5730 0.052 Uiso 1 1 calc R
C36 C 0.5459(3) 0.2890(4) 0.4820(3) 0.0377(13) Uani 1 1 d .
H36A H 0.5893 0.3034 0.5119 0.057 Uiso 1 1 calc R
H36B H 0.5260 0.3489 0.4547 0.057 Uiso 1 1 calc R
H36C H 0.5440 0.2360 0.4456 0.057 Uiso 1 1 calc R
C37 C 0.5041(2) 0.0380(4) 0.4753(3) 0.0366(13) Uani 1 1 d .
H37A H 0.5297 0.0113 0.4470 0.044 Uiso 1 1 calc R
H37B H 0.5268 0.0947 0.5062 0.044 Uiso 1 1 calc R
C38 C 0.2333(2) 0.2259(4) 0.1988(3) 0.0325(12) Uani 1 1 d .
H38A H 0.1949 0.2001 0.1991 0.039 Uiso 1 1 calc R
C39 C 0.2340(3) 0.2916(4) 0.1432(3) 0.0404(14) Uani 1 1 d .
H39A H 0.1953 0.3095 0.1060 0.048 Uiso 1 1 calc R
C40 C 0.3373(3) 0.3047(4) 0.1934(3) 0.0364(13) Uani 1 1 d .
H40A H 0.3753 0.3333 0.1942 0.044 Uiso 1 1 calc R
C41 C 0.3390(2) 0.2375(4) 0.2494(3) 0.0290(11) Uani 1 1 d .
H41A H 0.3777 0.2191 0.2860 0.035 Uiso 1 1 calc R
C42 C 0.2977(2) -0.0909(3) 0.4030(3) 0.0253(11) Uani 1 1 d .
H42A H 0.3002 -0.1154 0.3569 0.030 Uiso 1 1 calc R
C43 C 0.3009(2) -0.1571(4) 0.4608(3) 0.0297(11) Uani 1 1 d .
H43A H 0.3051 -0.2260 0.4529 0.036 Uiso 1 1 calc R
C44 C 0.2914(2) -0.0294(4) 0.5336(3) 0.0307(12) Uani 1 1 d .
H44A H 0.2886 -0.0046 0.5795 0.037 Uiso 1 1 calc R
C45 C 0.2883(2) 0.0373(4) 0.4771(3) 0.0274(11) Uani 1 1 d .
H45A H 0.2839 0.1062 0.4852 0.033 Uiso 1 1 calc R
Cl1 Cl 0.26842(9) -0.50210(14) 0.27101(11) 0.0657(5) Uani 1 1 d .
C1S C 0.3292(3) -0.4428(4) 0.3416(3) 0.0405(14) Uani 1 1 d .
H1SA H 0.3199 -0.4438 0.3897 0.049 Uiso 1 1 calc R
Cl2 Cl 0.33634(8) -0.31847(11) 0.31744(9) 0.0508(4) Uani 1 1 d .
Cl3 Cl 0.39983(8) -0.50649(12) 0.35737(9) 0.0508(4) Uani 1 1 d .
C2S C 0.1548(3) -0.2276(5) -0.1086(4) 0.0486(16) Uani 1 1 d .
H2SA H 0.1919 -0.1998 -0.0678 0.058 Uiso 1 1 calc R
Cl4 Cl 0.14062(9) -0.34962(13) -0.08322(11) 0.0659(5) Uani 1 1 d .
Cl5 Cl 0.17017(9) -0.23407(15) -0.19307(9) 0.0629(5) Uani 1 1 d .
Cl6 Cl 0.08990(8) -0.15113(12) -0.11900(10) 0.0532(4) Uani 1 1 d .
Cl Cl 0.28045(6) -0.41286(8) 0.48840(7) 0.0281(3) Uani 1 1 d .
N2S N 0.0921(5) 0.1338(15) -0.3680(8) 0.109(7) Uani 0.50 1 d P
N1S N 0.0364(4) 0.0437(7) -0.2806(5) 0.033(2) Uani 0.50 1 d P
C3S C 0.0202(6) 0.1315(12) -0.3135(7) 0.057(4) Uani 0.50 1 d P
H3SA H -0.0133 0.1660 -0.3062 0.068 Uiso 0.50 1 calc PR
C4S C 0.0500(6) 0.1755(10) -0.3580(8) 0.053(3) Uani 0.50 1 d PU
H4SA H 0.0368 0.2386 -0.3805 0.064 Uiso 0.50 1 calc PR
C5S C 0.1101(6) 0.0370(12) -0.3386(8) 0.062(4) Uani 0.50 1 d PU
H5SA H 0.1398 -0.0021 -0.3508 0.074 Uiso 0.50 1 calc PR
C6S C 0.0798(7) 0.0047(10) -0.2901(8) 0.067(5) Uani 0.50 1 d P
H6SA H 0.0952 -0.0541 -0.2619 0.080 Uiso 0.50 1 calc PR
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'
Co Co 0.3494 0.9721 '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'
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
N1 Co1 N3 178.45(17) .
N1 Co1 N2 90.54(17) .
N3 Co1 N2 89.08(16) .
N1 Co1 N4 89.15(17) .
N3 Co1 N4 91.24(16) .
N2 Co1 N4 179.58(17) .
N1 Co1 N7 91.38(16) .
N3 Co1 N7 90.12(16) .
N2 Co1 N7 90.37(16) .
N4 Co1 N7 89.36(16) .
N1 Co1 N5 88.96(16) .
N3 Co1 N5 89.55(16) .
N2 Co1 N5 90.88(16) .
N4 Co1 N5 89.39(16) .
N7 Co1 N5 178.70(17) .
C4 N1 C1 106.0(4) .
C4 N1 Co1 125.7(3) .
C1 N1 Co1 128.3(3) .
C9 N2 C6 105.4(4) .
C9 N2 Co1 127.9(3) .
C6 N2 Co1 126.7(3) .
C11 N3 C14 105.9(4) .
C11 N3 Co1 127.5(3) .
C14 N3 Co1 126.5(3) .
C16 N4 C19 107.6(4) .
C16 N4 Co1 125.3(3) .
C19 N4 Co1 127.0(3) .
C41 N5 C38 116.9(4) .
C41 N5 Co1 121.0(3) .
C38 N5 Co1 122.1(3) .
C39 N6 C40 114.4(5) .
C45 N7 C42 117.1(4) .
C45 N7 Co1 121.2(3) .
C42 N7 Co1 121.7(3) .
C44 N8 C43 115.3(4) .
N1 C1 C20 123.3(4) .
N1 C1 C2 109.4(4) .
C20 C1 C2 127.2(5) .
C3 C2 C1 106.7(4) .
C3 C2 C21 122.8(5) .
C1 C2 C21 129.8(5) .
C2 C3 C4 106.8(5) .
C2 C3 C23 129.1(5) .
C4 C3 C23 124.2(5) .
N1 C4 C5 125.2(5) .
N1 C4 C3 110.9(5) .
C5 C4 C3 123.1(5) .
C6 C5 C4 123.0(5) .
N2 C6 C5 124.5(4) .
N2 C6 C7 110.5(4) .
C5 C6 C7 124.9(5) .
C8 C7 C6 106.5(4) .
C8 C7 C25 129.4(5) .
C6 C7 C25 123.8(5) .
C7 C8 C9 106.9(4) .
C7 C8 C27 127.7(5) .
C9 C8 C27 125.3(5) .
N2 C9 C10 124.3(4) .
N2 C9 C8 110.5(4) .
C10 C9 C8 124.9(5) .
C11 C10 C9 123.1(5) .
N3 C11 C10 124.7(4) .
N3 C11 C12 109.7(4) .
C10 C11 C12 125.2(5) .
C13 C12 C11 107.2(4) .
C13 C12 C29 127.9(5) .
C11 C12 C29 124.9(5) .
C12 C13 C14 106.6(4) .
C12 C13 C31 128.4(5) .
C14 C13 C31 125.0(5) .
N3 C14 C15 123.6(4) .
N3 C14 C13 110.4(4) .
C15 C14 C13 125.6(5) .
C16 C15 C14 124.8(5) .
N4 C16 C15 125.5(4) .
N4 C16 C17 109.2(4) .
C15 C16 C17 125.1(5) .
C18 C17 C16 107.2(5) .
C18 C17 C33 127.6(5) .
C16 C17 C33 124.8(5) .
C17 C18 C19 107.9(4) .
C17 C18 C35 121.3(5) .
C19 C18 C35 129.9(5) .
N4 C19 C20 124.5(5) .
N4 C19 C18 107.9(4) .
C20 C19 C18 127.4(5) .
C1 C20 C19 122.3(4) .
C1 C20 C37 118.7(5) .
C19 C20 C37 118.9(5) .
C2 C21 C22 112.4(4) .
C3 C23 C24 112.7(5) .
C7 C25 C26 112.6(5) .
C8 C27 C28 111.6(5) .
C30 C29 C12 113.1(6) .
C13 C31 C32 113.7(5) .
C17 C33 C34 110.7(4) .
C18 C35 C36 112.2(4) .
C37 C37 C20 112.4(6) 3_656
N5 C38 C39 120.4(5) .
N6 C39 C38 124.1(5) .
N6 C40 C41 123.4(5) .
N5 C41 C40 120.7(5) .
N7 C42 C43 121.1(5) .
N8 C43 C42 122.2(5) .
N8 C44 C45 123.3(5) .
N7 C45 C44 120.9(5) .
Cl1 C1S Cl2 111.1(3) .
Cl1 C1S Cl3 110.5(3) .
Cl2 C1S Cl3 109.9(3) .
Cl5 C2S Cl6 111.1(4) .
Cl5 C2S Cl4 108.3(3) .
Cl6 C2S Cl4 110.0(3) .
C4S N2S C5S 120.9(13) .
C6S N1S C3S 115.7(11) .
N1S C3S C4S 123.1(12) .
N2S C4S C3S 119.7(14) .
C6S C5S N2S 113.3(14) .
N1S C6S C5S 126.5(12) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N1 1.941(4) .
Co1 N3 1.947(4) .
Co1 N2 1.950(4) .
Co1 N4 1.953(4) .
Co1 N7 1.953(4) .
Co1 N5 1.963(4) .
N1 C4 1.373(6) .
N1 C1 1.386(6) .
N2 C9 1.366(6) .
N2 C6 1.376(6) .
N3 C11 1.373(6) .
N3 C14 1.377(6) .
N4 C16 1.373(6) .
N4 C19 1.384(6) .
N5 C41 1.340(6) .
N5 C38 1.341(6) .
N6 C39 1.328(7) .
N6 C40 1.332(7) .
N7 C45 1.333(6) .
N7 C42 1.334(6) .
N8 C44 1.334(7) .
N8 C43 1.335(7) .
C1 C20 1.396(7) .
C1 C2 1.454(7) .
C2 C3 1.369(8) .
C2 C21 1.506(7) .
C3 C4 1.430(7) .
C3 C23 1.503(7) .
C4 C5 1.395(7) .
C5 C6 1.381(7) .
C6 C7 1.452(7) .
C7 C8 1.345(7) .
C7 C25 1.506(7) .
C8 C9 1.452(7) .
C8 C27 1.496(7) .
C9 C10 1.384(7) .
C10 C11 1.378(7) .
C11 C12 1.448(7) .
C12 C13 1.356(7) .
C12 C29 1.503(7) .
C13 C14 1.436(7) .
C13 C31 1.503(7) .
C14 C15 1.385(7) .
C15 C16 1.373(7) .
C16 C17 1.442(7) .
C17 C18 1.351(7) .
C17 C33 1.498(7) .
C18 C19 1.454(7) .
C18 C35 1.513(7) .
C19 C20 1.398(7) .
C20 C37 1.511(7) .
C21 C22 1.528(7) .
C23 C24 1.531(8) .
C25 C26 1.520(8) .
C27 C28 1.505(9) .
C29 C30 1.483(11) .
C31 C32 1.531(8) .
C33 C34 1.515(8) .
C35 C36 1.519(8) .
C37 C37 1.440(10) 3_656
C38 C39 1.375(7) .
C40 C41 1.379(7) .
C42 C43 1.389(7) .
C44 C45 1.373(7) .
Cl1 C1S 1.748(6) .
C1S Cl2 1.757(6) .
C1S Cl3 1.768(6) .
C2S Cl5 1.748(6) .
C2S Cl6 1.766(7) .
C2S Cl4 1.771(7) .
N2S C4S 1.19(2) .
N2S C5S 1.42(2) .
N1S C6S 1.195(18) .
N1S C3S 1.325(17) .
C3S C4S 1.39(2) .
C5S C6S 1.40(2) .
