#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:34:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179252 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/72/4317241.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_4317241
loop_
_publ_author_name
'Brandon Kilduff'
'Dmitry Pogozhev'
'Stéphane A. Baudron'
'Mir Wais Hosseini'
_publ_contact_author
; Prof Mir Wais Hosseini
  Laboratoire de Chimie de Coordination Organique, 
  UMR CNRS 7140, Université de Strasbourg,
  CS 90032
  F-67081 Strasbourg Cedex, France 
;
_publ_contact_author_email       hosseini@unistra.fr
_publ_contact_author_fax         '33 3 68 85 13 23'
_publ_contact_author_phone       '33 3 68 85 13 25'
_publ_section_title
;
 Heterometallic Architectures Based on the Combination of Heteroleptic
 Copper and Cobalt Complexes with Silver Salts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11231
_journal_page_last               11239
_journal_paper_doi               10.1021/ic1019235
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C34 H26 Co N7 O2, 1.5(C4 H8 O2) '
_chemical_formula_sum            'C40 H38 Co N7 O5'
_chemical_formula_weight         755.70
_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                91.4900(10)
_cell_angle_beta                 106.4220(10)
_cell_angle_gamma                98.6120(10)
_cell_formula_units_Z            2
_cell_length_a                   8.7518(2)
_cell_length_b                   14.3595(3)
_cell_length_c                   15.0712(3)
_cell_measurement_reflns_used    9844
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.55
_cell_volume                     1791.60(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0253
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22084
_diffrn_reflns_theta_full        27.69
_diffrn_reflns_theta_max         27.69
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    0.535
_exptl_absorpt_correction_T_max  0.9484
_exptl_absorpt_correction_T_min  0.9240
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             788
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.630
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     480
_refine_ls_number_reflns         8122
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0406
_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)+(0.0716P)²+0.8830P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1121
_refine_ls_wR_factor_ref         0.1264
_reflns_number_gt                7106
_reflns_number_total             8122
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1019235_si_001_04.cif
_cod_data_source_block           compound6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4317241
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2055(2) 0.16513(14) 0.81398(14) 0.0280(4) Uani 1 1 d . . .
H1 H 0.1953 0.2005 0.8639 0.034 Uiso 1 1 calc R . .
C2 C 0.1750(3) 0.06590(15) 0.80292(15) 0.0313(4) Uani 1 1 d . . .
H2 H 0.1423 0.0250 0.8433 0.038 Uiso 1 1 calc R . .
C3 C 0.2028(2) 0.04107(14) 0.72095(14) 0.0277(4) Uani 1 1 d . . .
H3 H 0.1925 -0.0199 0.6952 0.033 Uiso 1 1 calc R . .
C4 C 0.2505(2) 0.12646(13) 0.68280(13) 0.0230(4) Uani 1 1 d . . .
C5 C 0.2803(2) 0.13778(13) 0.59641(13) 0.0234(4) Uani 1 1 d . . .
C6 C 0.3077(2) 0.22477(13) 0.55950(13) 0.0235(4) Uani 1 1 d . . .
C7 C 0.3269(3) 0.24383(15) 0.47038(14) 0.0288(4) Uani 1 1 d . . .
H7 H 0.3283 0.1993 0.4248 0.035 Uiso 1 1 calc R . .
C8 C 0.3428(3) 0.33966(16) 0.46436(15) 0.0337(5) Uani 1 1 d . . .
H8 H 0.3558 0.3725 0.4139 0.040 Uiso 1 1 calc R . .
C9 C 0.3356(3) 0.37879(15) 0.54948(14) 0.0302(4) Uani 1 1 d . . .
H9 H 0.3438 0.4430 0.5640 0.036 Uiso 1 1 calc R . .
C10 C 0.2779(2) 0.04983(13) 0.54103(14) 0.0248(4) Uani 1 1 d . . .
C11 C 0.3763(2) -0.01586(14) 0.57916(14) 0.0276(4) Uani 1 1 d . . .
H11 H 0.4454 -0.0051 0.6392 0.033 Uiso 1 1 calc R . .
C12 C 0.3688(3) -0.09741(15) 0.52578(16) 0.0325(5) Uani 1 1 d . . .
H12 H 0.4327 -0.1412 0.5527 0.039 Uiso 1 1 calc R . .
C13 C 0.1838(3) -0.05392(15) 0.40282(15) 0.0335(5) Uani 1 1 d . . .
H13 H 0.1187 -0.0658 0.3419 0.040 Uiso 1 1 calc R . .
C14 C 0.1782(3) 0.02920(14) 0.45072(14) 0.0293(4) Uani 1 1 d . . .
H14 H 0.1089 0.0701 0.4228 0.035 Uiso 1 1 calc R . .
C15 C -0.0089(2) 0.31174(14) 0.68325(14) 0.0273(4) Uani 1 1 d . . .
H15 H -0.0208 0.2465 0.6853 0.033 Uiso 1 1 calc R . .
C16 C -0.1393(3) 0.36213(15) 0.65464(15) 0.0316(4) Uani 1 1 d . . .
H16 H -0.2487 0.3370 0.6359 0.038 Uiso 1 1 calc R . .
C17 C -0.0723(2) 0.45518(15) 0.66003(14) 0.0286(4) Uani 1 1 d . . .
H17 H -0.1281 0.5057 0.6456 0.034 Uiso 1 1 calc R . .
C18 C 0.0984(2) 0.46063(13) 0.69172(13) 0.0232(4) Uani 1 1 d . . .
C19 C 0.2149(2) 0.54022(13) 0.70226(13) 0.0229(4) Uani 1 1 d . . .
C20 C 0.3813(2) 0.54101(13) 0.72766(13) 0.0234(4) Uani 1 1 d . . .
C21 C 0.5061(3) 0.62015(14) 0.74163(14) 0.0283(4) Uani 1 1 d . . .
H21 H 0.4928 0.6830 0.7360 0.034 Uiso 1 1 calc R . .
C22 C 0.6493(3) 0.58659(15) 0.76500(15) 0.0321(4) Uani 1 1 d . . .
H22 H 0.7522 0.6222 0.7791 0.038 Uiso 1 1 calc R . .
C23 C 0.6108(3) 0.48758(15) 0.76362(15) 0.0300(4) Uani 1 1 d . . .
H23 H 0.6865 0.4470 0.7766 0.036 Uiso 1 1 calc R . .
C24 C 0.1575(2) 0.63261(13) 0.68233(14) 0.0252(4) Uani 1 1 d . . .
C25 C 0.1308(3) 0.66503(16) 0.59424(16) 0.0366(5) Uani 1 1 d . . .
H25 H 0.1464 0.6293 0.5461 0.044 Uiso 1 1 calc R . .
C26 C 0.0803(3) 0.75173(17) 0.57952(18) 0.0406(5) Uani 1 1 d . . .
H26 H 0.0602 0.7722 0.5199 0.049 Uiso 1 1 calc R . .
C27 C 0.0839(3) 0.77519(17) 0.72878(18) 0.0436(6) Uani 1 1 d . . .
H27 H 0.0692 0.8131 0.7757 0.052 Uiso 1 1 calc R . .
C28 C 0.1307(3) 0.68836(16) 0.75045(15) 0.0368(5) Uani 1 1 d . . .
H28 H 0.1437 0.6682 0.8099 0.044 Uiso 1 1 calc R . .
C29 C 0.4885(3) 0.34726(19) 1.02723(15) 0.0419(6) Uani 1 1 d . . .
H29A H 0.4622 0.4094 1.0319 0.063 Uiso 1 1 calc R . .
H29B H 0.5945 0.3458 1.0678 0.063 Uiso 1 1 calc R . .
H29C H 0.4112 0.3024 1.0447 0.063 Uiso 1 1 calc R . .
C30 C 0.4845(3) 0.32262(14) 0.92928(14) 0.0269(4) Uani 1 1 d . . .
C31 C 0.5937(2) 0.26556(15) 0.91150(14) 0.0276(4) Uani 1 1 d . . .
C32 C 0.6162(2) 0.25025(14) 0.82313(14) 0.0256(4) Uani 1 1 d . . .
C33 C 0.7375(3) 0.19061(16) 0.81028(16) 0.0353(5) Uani 1 1 d . . .
H33A H 0.7362 0.1876 0.7464 0.053 Uiso 1 1 calc R . .
H33B H 0.7101 0.1280 0.8281 0.053 Uiso 1 1 calc R . .
H33C H 0.8434 0.2182 0.8482 0.053 Uiso 1 1 calc R . .
C34 C 0.6917(3) 0.22334(17) 0.98705(15) 0.0355(5) Uani 1 1 d . . .
N1 N 0.2511(2) 0.20185(11) 0.74299(11) 0.0235(3) Uani 1 1 d . . .
N2 N 0.3154(2) 0.31157(11) 0.60665(11) 0.0244(3) Uani 1 1 d . . .
N3 N 0.2761(2) -0.11747(13) 0.43826(13) 0.0338(4) Uani 1 1 d . . .
N4 N 0.1333(2) 0.36912(11) 0.70694(11) 0.0224(3) Uani 1 1 d . . .
N5 N 0.4511(2) 0.45955(11) 0.74115(11) 0.0230(3) Uani 1 1 d . . .
N6 N 0.0591(2) 0.80719(13) 0.64501(15) 0.0408(5) Uani 1 1 d . . .
N7 N 0.7690(3) 0.18583(18) 1.04531(15) 0.0512(6) Uani 1 1 d . . .
O1 O 0.37863(17) 0.35413(9) 0.86708(9) 0.0253(3) Uani 1 1 d . . .
O2 O 0.54096(17) 0.28543(10) 0.75124(9) 0.0255(3) Uani 1 1 d . . .
Co1 Co 0.34228(3) 0.331258(16) 0.735870(16) 0.02013(9) Uani 1 1 d . . .
C35 C 0.4637(4) 0.0888(3) 0.1483(2) 0.0645(9) Uani 1 1 d . . .
H35A H 0.5524 0.0534 0.1571 0.077 Uiso 1 1 calc R . .
H35B H 0.5088 0.1553 0.1621 0.077 Uiso 1 1 calc R . .
C36 C 0.3594(4) 0.0725(2) 0.0499(2) 0.0532(7) Uani 1 1 d . . .
H36A H 0.4230 0.0930 0.0085 0.064 Uiso 1 1 calc R . .
H36B H 0.3183 0.0057 0.0353 0.064 Uiso 1 1 calc R . .
C37 C 0.1376(4) 0.0935(3) 0.0979(2) 0.0599(8) Uani 1 1 d . . .
H37A H 0.0933 0.0269 0.0841 0.072 Uiso 1 1 calc R . .
H37B H 0.0482 0.1283 0.0887 0.072 Uiso 1 1 calc R . .
C38 C 0.2398(4) 0.1097(2) 0.19654(19) 0.0509(6) Uani 1 1 d . . .
H38A H 0.2801 0.1766 0.2115 0.061 Uiso 1 1 calc R . .
H38B H 0.1757 0.0884 0.2374 0.061 Uiso 1 1 calc R . .
O3 O 0.3711(3) 0.05945(17) 0.20991(15) 0.0661(6) Uani 1 1 d . . .
O4 O 0.2296(3) 0.12303(16) 0.03645(14) 0.0585(5) Uani 1 1 d . . .
C39 C 0.0950(9) 0.4775(4) 0.9511(5) 0.152(3) Uani 1 1 d . . .
H39A H 0.2099 0.4877 0.9828 0.183 Uiso 1 1 calc R . .
H39B H 0.0819 0.4505 0.8892 0.183 Uiso 1 1 calc R . .
C40 C 0.0256(6) 0.4102(3) 0.9946(3) 0.0871(13) Uani 1 1 d . . .
H40A H 0.1083 0.3748 1.0265 0.105 Uiso 1 1 calc R . .
H40B H -0.0534 0.3670 0.9473 0.105 Uiso 1 1 calc R . .
O5 O 0.0512(4) 0.56313(18) 0.94123(19) 0.0786(7) Uani 1 1 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'
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'
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 110.94(18) . . ?
N1 C1 H1 124.5 . . ?
C2 C1 H1 124.5 . . ?
C3 C2 C1 106.78(18) . . ?
C3 C2 H2 126.6 . . ?
C1 C2 H2 126.6 . . ?
C2 C3 C4 106.99(18) . . ?
C2 C3 H3 126.5 . . ?
C4 C3 H3 126.5 . . ?
N1 C4 C5 123.38(17) . . ?
N1 C4 C3 108.26(17) . . ?
C5 C4 C3 128.18(18) . . ?
C6 C5 C4 124.38(17) . . ?
C6 C5 C10 118.94(17) . . ?
C4 C5 C10 116.67(17) . . ?
C5 C6 N2 123.42(17) . . ?
C5 C6 C7 128.94(18) . . ?
N2 C6 C7 107.61(16) . . ?
C8 C7 C6 107.47(18) . . ?
C8 C7 H7 126.3 . . ?
C6 C7 H7 126.3 . . ?
C7 C8 C9 106.64(18) . . ?
C7 C8 H8 126.7 . . ?
C9 C8 H8 126.7 . . ?
N2 C9 C8 111.14(18) . . ?
N2 C9 H9 124.4 . . ?
C8 C9 H9 124.4 . . ?
C14 C10 C11 117.45(18) . . ?
C14 C10 C5 121.98(17) . . ?
C11 C10 C5 120.57(18) . . ?
C12 C11 C10 118.76(19) . . ?
C12 C11 H11 120.6 . . ?
C10 C11 H11 120.6 . . ?
N3 C12 C11 124.58(19) . . ?
N3 C12 H12 117.7 . . ?
C11 C12 H12 117.7 . . ?
N3 C13 C14 124.5(2) . . ?
N3 C13 H13 117.7 . . ?
C14 C13 H13 117.7 . . ?
C10 C14 C13 118.76(18) . . ?
C10 C14 H14 120.6 . . ?
C13 C14 H14 120.6 . . ?
N4 C15 C16 111.87(18) . . ?
N4 C15 H15 124.1 . . ?
C16 C15 H15 124.1 . . ?
C17 C16 C15 106.20(19) . . ?
C17 C16 H16 126.9 . . ?
C15 C16 H16 126.9 . . ?
C16 C17 C18 107.45(17) . . ?
C16 C17 H17 126.3 . . ?
C18 C17 H17 126.3 . . ?
C19 C18 N4 123.97(17) . . ?
C19 C18 C17 127.52(17) . . ?
N4 C18 C17 108.43(17) . . ?
C18 C19 C20 125.40(17) . . ?
C18 C19 C24 117.35(17) . . ?
C20 C19 C24 117.23(17) . . ?
N5 C20 C19 123.41(17) . . ?
N5 C20 C21 108.63(17) . . ?
C19 C20 C21 127.94(18) . . ?
C22 C21 C20 107.08(18) . . ?
C22 C21 H21 126.5 . . ?
C20 C21 H21 126.5 . . ?
C21 C22 C23 106.60(19) . . ?
C21 C22 H22 126.7 . . ?
C23 C22 H22 126.7 . . ?
N5 C23 C22 111.16(18) . . ?
N5 C23 H23 124.4 . . ?
C22 C23 H23 124.4 . . ?
C28 C24 C25 117.96(19) . . ?
C28 C24 C19 121.43(18) . . ?
C25 C24 C19 120.60(18) . . ?
C26 C25 C24 118.5(2) . . ?
C26 C25 H25 120.7 . . ?
C24 C25 H25 120.7 . . ?
N6 C26 C25 124.1(2) . . ?
N6 C26 H26 118.0 . . ?
C25 C26 H26 118.0 . . ?
N6 C27 C28 123.7(2) . . ?
N6 C27 H27 118.1 . . ?
C28 C27 H27 118.1 . . ?
C24 C28 C27 118.8(2) . . ?
C24 C28 H28 120.6 . . ?
C27 C28 H28 120.6 . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C30 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O1 C30 C31 124.44(18) . . ?
O1 C30 C29 115.69(18) . . ?
C31 C30 C29 119.85(18) . . ?
C32 C31 C30 123.96(18) . . ?
C32 C31 C34 117.13(18) . . ?
C30 C31 C34 118.87(18) . . ?
O2 C32 C31 123.65(17) . . ?
O2 C32 C33 115.52(17) . . ?
C31 C32 C33 120.82(18) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N7 C34 C31 177.0(3) . . ?
C1 N1 C4 107.03(16) . . ?
C1 N1 Co1 126.82(14) . . ?
C4 N1 Co1 125.09(13) . . ?
C9 N2 C6 107.13(16) . . ?
C9 N2 Co1 125.83(14) . . ?
C6 N2 Co1 125.60(13) . . ?
C13 N3 C12 115.88(18) . . ?
C15 N4 C18 106.03(16) . . ?
C15 N4 Co1 126.29(13) . . ?
C18 N4 Co1 126.94(13) . . ?
C23 N5 C20 106.50(17) . . ?
C23 N5 Co1 125.98(14) . . ?
C20 N5 Co1 127.43(13) . . ?
C26 N6 C27 116.86(19) . . ?
C30 O1 Co1 124.82(12) . . ?
C32 O2 Co1 124.81(13) . . ?
N2 Co1 O2 84.97(6) . . ?
N2 Co1 N4 89.13(7) . . ?
O2 Co1 N4 173.43(6) . . ?
N2 Co1 O1 177.52(7) . . ?
O2 Co1 O1 93.44(6) . . ?
N4 Co1 O1 92.54(6) . . ?
N2 Co1 N1 91.89(7) . . ?
O2 Co1 N1 85.65(6) . . ?
N4 Co1 N1 91.67(7) . . ?
O1 Co1 N1 89.90(6) . . ?
N2 Co1 N5 92.67(7) . . ?
O2 Co1 N5 90.54(6) . . ?
N4 Co1 N5 92.62(7) . . ?
O1 Co1 N5 85.43(6) . . ?
N1 Co1 N5 173.79(7) . . ?
O3 C35 C36 110.1(3) . . ?
O3 C35 H35A 109.6 . . ?
C36 C35 H35A 109.6 . . ?
O3 C35 H35B 109.6 . . ?
C36 C35 H35B 109.6 . . ?
H35A C35 H35B 108.1 . . ?
O4 C36 C35 110.1(2) . . ?
O4 C36 H36A 109.6 . . ?
C35 C36 H36A 109.6 . . ?
O4 C36 H36B 109.6 . . ?
C35 C36 H36B 109.6 . . ?
H36A C36 H36B 108.1 . . ?
O4 C37 C38 110.9(2) . . ?
O4 C37 H37A 109.5 . . ?
C38 C37 H37A 109.5 . . ?
O4 C37 H37B 109.5 . . ?
C38 C37 H37B 109.5 . . ?
H37A C37 H37B 108.1 . . ?
O3 C38 C37 109.6(2) . . ?
O3 C38 H38A 109.8 . . ?
C37 C38 H38A 109.8 . . ?
O3 C38 H38B 109.8 . . ?
C37 C38 H38B 109.8 . . ?
H38A C38 H38B 108.2 . . ?
C38 O3 C35 110.0(2) . . ?
C36 O4 C37 109.4(2) . . ?
O5 C39 C40 122.6(4) . . ?
O5 C39 H39A 106.7 . . ?
C40 C39 H39A 106.7 . . ?
O5 C39 H39B 106.7 . . ?
C40 C39 H39B 106.7 . . ?
H39A C39 H39B 106.6 . . ?
C39 C40 O5 119.2(4) . 2_567 ?
C39 C40 H40A 107.5 . . ?
O5 C40 H40A 107.5 2_567 . ?
C39 C40 H40B 107.5 . . ?
O5 C40 H40B 107.5 2_567 . ?
H40A C40 H40B 107.0 . . ?
C39 O5 C40 114.5(3) . 2_567 ?
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 1.338(2) . ?
C1 C2 1.406(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.373(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.424(3) . ?
C3 H3 0.9300 . ?
C4 N1 1.392(2) . ?
C4 C5 1.407(3) . ?
C5 C6 1.396(3) . ?
C5 C10 1.490(3) . ?
C6 N2 1.402(2) . ?
C6 C7 1.428(3) . ?
C7 C8 1.370(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.409(3) . ?
C8 H8 0.9300 . ?
C9 N2 1.335(3) . ?
C9 H9 0.9300 . ?
C10 C14 1.390(3) . ?
C10 C11 1.397(3) . ?
C11 C12 1.386(3) . ?
C11 H11 0.9300 . ?
C12 N3 1.336(3) . ?
C12 H12 0.9300 . ?
C13 N3 1.331(3) . ?
C13 C14 1.393(3) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 N4 1.335(3) . ?
C15 C16 1.413(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.367(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.423(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.386(3) . ?
C18 N4 1.403(2) . ?
C19 C20 1.396(3) . ?
C19 C24 1.496(2) . ?
C20 N5 1.392(2) . ?
C20 C21 1.419(3) . ?
C21 C22 1.367(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.409(3) . ?
C22 H22 0.9300 . ?
C23 N5 1.336(3) . ?
C23 H23 0.9300 . ?
C24 C28 1.378(3) . ?
C24 C25 1.387(3) . ?
C25 C26 1.385(3) . ?
C25 H25 0.9300 . ?
C26 N6 1.323(3) . ?
C26 H26 0.9300 . ?
C27 N6 1.326(3) . ?
C27 C28 1.388(3) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.499(3) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 O1 1.265(2) . ?
C30 C31 1.423(3) . ?
C31 C32 1.417(3) . ?
C31 C34 1.428(3) . ?
C32 O2 1.260(2) . ?
C32 C33 1.509(3) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 N7 1.147(3) . ?
N1 Co1 1.9276(16) . ?
N2 Co1 1.9028(16) . ?
N4 Co1 1.9210(16) . ?
N5 Co1 1.9317(16) . ?
O1 Co1 1.9232(13) . ?
O2 Co1 1.9061(13) . ?
C35 O3 1.428(4) . ?
C35 C36 1.498(4) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 O4 1.408(3) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 O4 1.423(3) . ?
C37 C38 1.494(4) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 O3 1.416(4) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 O5 1.341(5) . ?
C39 C40 1.348(6) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 O5 1.399(4) 2_567 ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
O5 C40 1.399(4) 2_567 ?
