#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:53:12 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179082 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/44/4304459.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_4304459
loop_
_publ_author_name
'Domingo Salazar-Mendoza'
'Stéphane A. Baudron'
'Mir Wais Hosseini'
_publ_contact_author
; Prof Mir Wais Hosseini
  Laboratoire de Chimie de Coordination Organique, 
  UMR CNRS 7140, Université Louis Pasteur,
  F-67000 Strasbourg, France 
;
_publ_contact_author_email       hosseini@chimie.u-strasbg.fr
_publ_contact_author_fax         '33 3 90 24 13 23'
_publ_section_title
;
Many Faces of Dipyrrins: from Hydrogen-Bonded Networks to Homo- and
Heteronuclear Metallamacrocycles
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              766
_journal_page_last               768
_journal_paper_doi               10.1021/ic701949k
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C32 H24 Co N5 O2, 2(C H Cl3)'
_chemical_formula_sum            'C34 H26 Cl6 Co N5 O2'
_chemical_formula_weight         808.23
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.7199(8)
_cell_length_b                   18.0162(13)
_cell_length_c                   16.3131(11)
_cell_measurement_reflns_used    2823
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.19
_cell_measurement_theta_min      2.85
_cell_volume                     3444.5(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0531
_diffrn_reflns_av_sigmaI/netI    0.0788
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16121
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    1.004
_exptl_absorpt_correction_T_max  0.9609
_exptl_absorpt_correction_T_min  0.8478
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.661
_refine_diff_density_min         -1.143
_refine_diff_density_rms         0.126
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         6351
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0603
_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)+(0.1123P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1548
_refine_ls_wR_factor_ref         0.1802
_reflns_number_gt                4561
_reflns_number_total             6351
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701949k-file002_4.cif
_cod_data_source_block           compound5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4304459
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'
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
C1 C 0.9461(6) 0.3834(3) 0.7354(4) 0.0240(14) Uani 1 1 d . . .
H1 H 1.0089 0.3525 0.7287 0.029 Uiso 1 1 calc R . .
C2 C 0.8775(6) 0.4087(3) 0.6705(4) 0.0207(14) Uani 1 1 d . . .
H2 H 0.8863 0.3979 0.6151 0.025 Uiso 1 1 calc R . .
C3 C 0.7954(5) 0.4522(3) 0.7052(4) 0.0216(14) Uani 1 1 d . . .
H3 H 0.7369 0.4766 0.6778 0.026 Uiso 1 1 calc R . .
C4 C 0.8157(5) 0.4533(3) 0.7904(4) 0.0216(13) Uani 1 1 d . . .
C5 C 0.7669(5) 0.5001(3) 0.8494(4) 0.0203(13) Uani 1 1 d . . .
C6 C 0.8094(5) 0.5099(3) 0.9278(4) 0.0208(14) Uani 1 1 d . . .
C7 C 0.7817(7) 0.5658(4) 0.9860(5) 0.0321(17) Uani 1 1 d . . .
H7 H 0.7209 0.5989 0.9830 0.039 Uiso 1 1 calc R . .
C8 C 0.8605(7) 0.5618(4) 1.0470(5) 0.0326(17) Uani 1 1 d . . .
H8 H 0.8641 0.5924 1.0928 0.039 Uiso 1 1 calc R . .
C9 C 0.9357(6) 0.5031(4) 1.0284(4) 0.0248(14) Uani 1 1 d . . .
H9 H 0.9974 0.4887 1.0605 0.030 Uiso 1 1 calc R . .
C10 C 0.6695(5) 0.5481(3) 0.8245(4) 0.0236(14) Uani 1 1 d . . .
C11 C 0.6803(5) 0.6234(3) 0.8188(4) 0.0229(14) Uani 1 1 d . . .
H11 H 0.7493 0.6452 0.8333 0.027 Uiso 1 1 calc R . .
C12 C 0.5909(6) 0.6689(4) 0.7918(5) 0.0292(16) Uani 1 1 d . . .
H12 H 0.6000 0.7201 0.7888 0.035 Uiso 1 1 calc R . .
C13 C 0.4894(6) 0.6362(4) 0.7698(4) 0.0224(14) Uani 1 1 d . . .
C14 C 0.4755(6) 0.5588(4) 0.7757(5) 0.0260(15) Uani 1 1 d . . .
H14 H 0.4061 0.5370 0.7621 0.031 Uiso 1 1 calc R . .
C15 C 0.5638(6) 0.5161(3) 0.8011(4) 0.0255(15) Uani 1 1 d . . .
H15 H 0.5550 0.4649 0.8033 0.031 Uiso 1 1 calc R . .
C16 C 0.3962(6) 0.6817(4) 0.7409(5) 0.0309(16) Uani 1 1 d . . .
C17 C 0.9545(5) 0.2415(3) 0.8274(4) 0.0197(13) Uani 1 1 d . . .
C18 C 1.0104(6) 0.1924(4) 0.7721(4) 0.0241(14) Uani 1 1 d . . .
H18 H 1.0897 0.1913 0.7707 0.029 Uiso 1 1 calc R . .
C19 C 0.9503(6) 0.1469(4) 0.7213(5) 0.0301(16) Uani 1 1 d . . .
H19 H 0.9901 0.1159 0.6857 0.036 Uiso 1 1 calc R . .
C20 C 0.8324(6) 0.1450(4) 0.7207(5) 0.0313(16) Uani 1 1 d . . .
H20 H 0.7933 0.1149 0.6838 0.038 Uiso 1 1 calc R . .
C21 C 0.7743(6) 0.1886(4) 0.7761(4) 0.0289(16) Uani 1 1 d . . .
H21 H 0.6952 0.1855 0.7794 0.035 Uiso 1 1 calc R . .
C22 C 0.8338(5) 0.2379(4) 0.8275(4) 0.0224(14) Uani 1 1 d . . .
C23 C 0.7724(5) 0.2749(3) 0.8947(4) 0.0204(14) Uani 1 1 d . . .
H23 H 0.6996 0.2582 0.9079 0.024 Uiso 1 1 calc R . .
C24 C 0.7780(6) 0.3410(4) 1.0214(4) 0.0284(15) Uani 1 1 d . . .
H24A H 0.7121 0.3107 1.0346 0.034 Uiso 1 1 calc R . .
H24B H 0.7600 0.3927 1.0316 0.034 Uiso 1 1 calc R . .
C25 C 0.8827(6) 0.3167(4) 1.0701(4) 0.0285(15) Uani 1 1 d . . .
H25A H 0.8802 0.3374 1.1250 0.034 Uiso 1 1 calc R . .
H25B H 0.8849 0.2630 1.0744 0.034 Uiso 1 1 calc R . .
C26 C 1.0793(6) 0.3477(3) 1.0643(4) 0.0213(14) Uani 1 1 d . . .
H26 H 1.0802 0.3310 1.1182 0.026 Uiso 1 1 calc R . .
C27 C 1.1829(6) 0.3752(3) 1.0316(4) 0.0232(14) Uani 1 1 d . . .
C28 C 1.2824(7) 0.3728(4) 1.0813(5) 0.0313(17) Uani 1 1 d . . .
H28 H 1.2769 0.3529 1.1338 0.038 Uiso 1 1 calc R . .
C29 C 1.3865(6) 0.3987(4) 1.0550(5) 0.0322(17) Uani 1 1 d . . .
H29 H 1.4502 0.3964 1.0890 0.039 Uiso 1 1 calc R . .
C30 C 1.3947(6) 0.4283(4) 0.9767(5) 0.0341(18) Uani 1 1 d . . .
H30 H 1.4652 0.4448 0.9579 0.041 Uiso 1 1 calc R . .
C31 C 1.3009(5) 0.4340(3) 0.9261(5) 0.0256(14) Uani 1 1 d . . .
H31 H 1.3089 0.4549 0.8743 0.031 Uiso 1 1 calc R . .
C32 C 1.1906(6) 0.4080(3) 0.9528(4) 0.0201(13) Uani 1 1 d . . .
N1 N 0.9111(4) 0.4088(3) 0.8073(4) 0.0199(11) Uani 1 1 d . . .
N2 N 0.9051(4) 0.4713(3) 0.9578(3) 0.0188(11) Uani 1 1 d . . .
N3 N 0.3256(5) 0.7194(4) 0.7192(5) 0.0418(17) Uani 1 1 d . . .
N4 N 0.8145(4) 0.3294(3) 0.9363(3) 0.0224(12) Uani 1 1 d . . .
N5 N 0.9847(4) 0.3442(3) 1.0257(4) 0.0201(11) Uani 1 1 d . . .
O1 O 1.0141(4) 0.2850(2) 0.8744(3) 0.0193(9) Uani 1 1 d . . .
O2 O 1.1058(3) 0.4153(2) 0.9004(3) 0.0197(10) Uani 1 1 d . . .
Co1 Co 0.95685(6) 0.37626(4) 0.91651(6) 0.01665(18) Uani 1 1 d . . .
C33 C 0.0857(6) 0.5656(4) 0.8187(5) 0.0321(17) Uani 1 1 d . . .
H33 H 0.0486 0.5238 0.8464 0.039 Uiso 1 1 calc R . .
Cl1 Cl 0.15478(17) 0.53286(11) 0.73066(13) 0.0403(5) Uani 1 1 d . . .
Cl2 Cl 0.1824(2) 0.60722(13) 0.88643(15) 0.0515(6) Uani 1 1 d . . .
Cl3 Cl -0.02004(16) 0.63071(11) 0.78926(15) 0.0445(5) Uani 1 1 d . . .
C34 C 0.4220(12) 0.7079(7) 1.0258(9) 0.0890(7) Uani 1 1 d . . .
H34 H 0.4828 0.7118 1.0668 0.107 Uiso 1 1 calc R A 1
Cl4 Cl 0.4299(3) 0.61264(16) 1.0069(2) 0.0890(7) Uani 1 1 d . B .
Cl5A Cl 0.4709(7) 0.7657(4) 0.9593(5) 0.0890(7) Uani 0.488(6) 1 d P B 1
Cl5B Cl 0.5372(7) 0.7520(3) 1.0126(5) 0.0890(7) Uani 0.512(6) 1 d P B 2
Cl6 Cl 0.3148(3) 0.73464(16) 1.0822(2) 0.0890(7) Uani 1 1 d . B .
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
_geom_angle_publ_flag
N1 C1 C2 112.2(6) . . ?
N1 C1 H1 123.9 . . ?
C2 C1 H1 123.9 . . ?
C3 C2 C1 106.0(6) . . ?
C3 C2 H2 127.0 . . ?
C1 C2 H2 127.0 . . ?
C2 C3 C4 107.4(6) . . ?
C2 C3 H3 126.3 . . ?
C4 C3 H3 126.3 . . ?
C5 C4 N1 122.3(6) . . ?
C5 C4 C3 128.0(6) . . ?
N1 C4 C3 108.7(6) . . ?
C6 C5 C4 124.3(6) . . ?
C6 C5 C10 117.0(6) . . ?
C4 C5 C10 118.4(6) . . ?
C5 C6 N2 123.0(6) . . ?
C5 C6 C7 128.7(6) . . ?
N2 C6 C7 107.4(6) . . ?
C8 C7 C6 107.2(6) . . ?
C8 C7 H7 126.4 . . ?
C6 C7 H7 126.4 . . ?
C7 C8 C9 107.9(6) . . ?
C7 C8 H8 126.1 . . ?
C9 C8 H8 126.1 . . ?
N2 C9 C8 109.8(6) . . ?
N2 C9 H9 125.1 . . ?
C8 C9 H9 125.1 . . ?
C11 C10 C15 117.7(6) . . ?
C11 C10 C5 121.7(6) . . ?
C15 C10 C5 120.5(5) . . ?
C10 C11 C12 122.2(6) . . ?
C10 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
C13 C12 C11 118.6(6) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
C12 C13 C14 120.5(6) . . ?
C12 C13 C16 119.7(6) . . ?
C14 C13 C16 119.8(6) . . ?
C15 C14 C13 119.6(6) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C10 121.3(6) . . ?
C14 C15 H15 119.3 . . ?
C10 C15 H15 119.3 . . ?
N3 C16 C13 177.5(8) . . ?
O1 C17 C22 124.4(6) . . ?
O1 C17 C18 120.1(6) . . ?
C22 C17 C18 115.6(6) . . ?
C19 C18 C17 121.5(6) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C19 C20 122.4(7) . . ?
C18 C19 H19 118.8 . . ?
C20 C19 H19 118.8 . . ?
C21 C20 C19 118.4(7) . . ?
C21 C20 H20 120.8 . . ?
C19 C20 H20 120.8 . . ?
C20 C21 C22 120.4(6) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C21 C22 C17 121.6(6) . . ?
C21 C22 C23 119.2(6) . . ?
C17 C22 C23 117.9(6) . . ?
N4 C23 C22 123.3(6) . . ?
N4 C23 H23 118.3 . . ?
C22 C23 H23 118.3 . . ?
N4 C24 C25 102.6(5) . . ?
N4 C24 H24A 111.2 . . ?
C25 C24 H24A 111.2 . . ?
N4 C24 H24B 111.2 . . ?
C25 C24 H24B 111.2 . . ?
H24A C24 H24B 109.2 . . ?
N5 C25 C24 107.3(6) . . ?
N5 C25 H25A 110.2 . . ?
C24 C25 H25A 110.2 . . ?
N5 C25 H25B 110.2 . . ?
C24 C25 H25B 110.2 . . ?
H25A C25 H25B 108.5 . . ?
N5 C26 C27 125.2(6) . . ?
N5 C26 H26 117.4 . . ?
C27 C26 H26 117.4 . . ?
C26 C27 C32 122.8(6) . . ?
C26 C27 C28 118.6(6) . . ?
C32 C27 C28 118.6(6) . . ?
C29 C28 C27 122.6(7) . . ?
C29 C28 H28 118.7 . . ?
C27 C28 H28 118.7 . . ?
C28 C29 C30 118.7(7) . . ?
C28 C29 H29 120.7 . . ?
C30 C29 H29 120.7 . . ?
C31 C30 C29 121.7(7) . . ?
C31 C30 H30 119.2 . . ?
C29 C30 H30 119.2 . . ?
C30 C31 C32 120.7(7) . . ?
C30 C31 H31 119.7 . . ?
C32 C31 H31 119.7 . . ?
O2 C32 C27 125.6(6) . . ?
O2 C32 C31 116.6(6) . . ?
C27 C32 C31 117.8(6) . . ?
C1 N1 C4 105.7(6) . . ?
C1 N1 Co1 128.3(4) . . ?
C4 N1 Co1 124.8(5) . . ?
C9 N2 C6 107.6(5) . . ?
C9 N2 Co1 126.5(4) . . ?
C6 N2 Co1 124.4(4) . . ?
C23 N4 C24 119.6(6) . . ?
C23 N4 Co1 125.8(4) . . ?
C24 N4 Co1 110.7(4) . . ?
C26 N5 C25 118.4(6) . . ?
C26 N5 Co1 126.6(5) . . ?
C25 N5 Co1 114.9(4) . . ?
C17 O1 Co1 122.9(4) . . ?
C32 O2 Co1 124.5(4) . . ?
N4 Co1 O2 174.8(2) . . ?
N4 Co1 N5 81.7(2) . . ?
O2 Co1 N5 94.9(2) . . ?
N4 Co1 O1 89.3(2) . . ?
O2 Co1 O1 86.91(18) . . ?
N5 Co1 O1 90.9(2) . . ?
N4 Co1 N2 93.4(2) . . ?
O2 Co1 N2 90.5(2) . . ?
N5 Co1 N2 89.8(2) . . ?
O1 Co1 N2 177.3(2) . . ?
N4 Co1 N1 92.7(2) . . ?
O2 Co1 N1 90.9(2) . . ?
N5 Co1 N1 173.9(2) . . ?
O1 Co1 N1 91.5(2) . . ?
N2 Co1 N1 88.0(2) . . ?
Cl1 C33 Cl2 111.2(4) . . ?
Cl1 C33 Cl3 108.9(4) . . ?
Cl2 C33 Cl3 109.9(4) . . ?
Cl1 C33 H33 108.9 . . ?
Cl2 C33 H33 108.9 . . ?
Cl3 C33 H33 108.9 . . ?
Cl5B C34 Cl5A 43.8(5) . . ?
Cl5B C34 Cl6 125.9(8) . . ?
Cl5A C34 Cl6 117.6(8) . . ?
Cl5B C34 Cl4 115.2(8) . . ?
Cl5A C34 Cl4 119.9(9) . . ?
Cl6 C34 Cl4 115.6(7) . . ?
Cl5B C34 H34 55.6 . . ?
Cl5A C34 H34 98.9 . . ?
Cl6 C34 H34 98.9 . . ?
Cl4 C34 H34 98.9 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.324(9) . ?
C1 C2 1.406(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.364(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.410(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.401(10) . ?
C4 N1 1.402(8) . ?
C5 C6 1.384(10) . ?
C5 C10 1.488(9) . ?
C6 N2 1.407(8) . ?
C6 C7 1.422(10) . ?
C7 C8 1.359(11) . ?
C7 H7 0.9300 . ?
C8 C9 1.410(10) . ?
C8 H8 0.9300 . ?
C9 N2 1.336(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.366(9) . ?
C10 C15 1.419(9) . ?
C11 C12 1.401(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.375(10) . ?
C12 H12 0.9300 . ?
C13 C14 1.407(9) . ?
C13 C16 1.445(9) . ?
C14 C15 1.353(9) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 N3 1.128(9) . ?
C17 O1 1.299(7) . ?
C17 C22 1.416(9) . ?
C17 C18 1.424(9) . ?
C18 C19 1.362(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.383(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.377(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.407(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.470(9) . ?
C23 N4 1.292(8) . ?
C23 H23 0.9300 . ?
C24 N4 1.467(8) . ?
C24 C25 1.526(10) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 N5 1.483(9) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 N5 1.277(8) . ?
C26 C27 1.415(9) . ?
C26 H26 0.9300 . ?
C27 C32 1.418(9) . ?
C27 C28 1.421(10) . ?
C28 C29 1.375(11) . ?
C28 H28 0.9300 . ?
C29 C30 1.388(11) . ?
C29 H29 0.9300 . ?
C30 C31 1.378(10) . ?
C30 H30 0.9300 . ?
C31 C32 1.443(9) . ?
C31 H31 0.9300 . ?
C32 O2 1.318(8) . ?
N1 Co1 1.950(6) . ?
N2 Co1 1.938(5) . ?
N4 Co1 1.898(5) . ?
N5 Co1 1.901(6) . ?
O1 Co1 1.905(4) . ?
O2 Co1 1.900(4) . ?
C33 Cl1 1.751(9) . ?
C33 Cl2 1.753(8) . ?
C33 Cl3 1.772(7) . ?
C33 H33 0.9800 . ?
C34 Cl5B 1.581(14) . ?
C34 Cl5A 1.610(15) . ?
C34 Cl6 1.631(13) . ?
C34 Cl4 1.745(12) . ?
C34 H34 0.9800 . ?
