#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:24:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179244 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/64/4316444.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_4316444
loop_
_publ_author_name
'Yu Ma'
'Xiu-Bing Li'
'Xiu-Chun Yi'
'Qin-Xiang Jia'
'En-Qing Gao'
'Cai-Ming Liu'
_publ_contact_author_address
;
Department of Chemistry,
East China Normal University,
Shanghai 200062, China.
;
_publ_contact_author_email       eqgao@chem.ecnu.edu.cn
_publ_contact_author_fax         86-21-62233404
_publ_contact_author_name        'En-Qing Gao'
_publ_contact_author_phone       86-21-62233404
_publ_section_title
;
 Novel Three-Dimensional Metal-Azide Network Induced by a Bipyridine-Based
 Zwitterionic Monocarboxylate Ligand: Structures and Magnetism
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8092
_journal_page_last               8098
_journal_paper_doi               10.1021/ic1011633
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C24 H30 Co2 N16 O9'
_chemical_formula_weight         804.50
_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                113.065(18)
_cell_angle_beta                 93.032(19)
_cell_angle_gamma                109.773(13)
_cell_formula_units_Z            2
_cell_length_a                   9.869(9)
_cell_length_b                   13.050(11)
_cell_length_c                   15.189(13)
_cell_measurement_reflns_used    784
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.68
_cell_measurement_theta_min      2.24
_cell_volume                     1654(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0768
_diffrn_reflns_av_sigmaI/netI    0.1773
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8551
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.24
_diffrn_standards_decay_%        2.5
_exptl_absorpt_coefficient_mu    1.078
_exptl_absorpt_correction_T_max  0.8998
_exptl_absorpt_correction_T_min  0.7380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.275
_refine_diff_density_min         -1.126
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       0.010(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         5706
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      0.951
_refine_ls_R_factor_all          0.1789
_refine_ls_R_factor_gt           0.0982
_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)+(0.1455P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2269
_refine_ls_wR_factor_ref         0.2827
_reflns_number_gt                2773
_reflns_number_total             5706
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1011633_si_002.cif
_cod_data_source_block           1
_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 
;
_cod_original_cell_volume        1654(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4316444
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
Co1 Co 0.22985(14) 0.14096(11) 0.35226(9) 0.0390(5) Uani 1 1 d . . .
Co2 Co 0.09662(14) -0.14547(11) 0.14281(9) 0.0394(5) Uani 1 1 d . . .
C1 C -0.0231(10) -0.0763(8) 0.3322(8) 0.039(2) Uani 1 1 d . . .
C2 C -0.1337(11) -0.1404(10) 0.3786(8) 0.057(3) Uani 1 1 d . . .
H2A H -0.0861 -0.1711 0.4140 0.069 Uiso 1 1 calc R . .
H2B H -0.1665 -0.0829 0.4252 0.069 Uiso 1 1 calc R . .
C3 C -0.2601(12) -0.3482(10) 0.2551(9) 0.058(3) Uani 1 1 d . . .
H3A H -0.1756 -0.3608 0.2684 0.070 Uiso 1 1 calc R . .
C4 C -0.3759(14) -0.2209(10) 0.2829(9) 0.072(4) Uani 1 1 d . . .
H4A H -0.3745 -0.1435 0.3159 0.086 Uiso 1 1 calc R . .
C5 C -0.5013(12) -0.3105(9) 0.2120(9) 0.070(4) Uani 1 1 d . . .
H5A H -0.5809 -0.2927 0.1977 0.084 Uiso 1 1 calc R . .
C6 C -0.3770(12) -0.4423(9) 0.1850(8) 0.054(3) Uani 1 1 d . . .
H6A H -0.3722 -0.5174 0.1513 0.064 Uiso 1 1 calc R . .
C7 C -0.5048(11) -0.4235(7) 0.1646(7) 0.040(2) Uani 1 1 d . . .
C8 C -0.6379(11) -0.5251(9) 0.0920(7) 0.047(3) Uani 1 1 d . . .
C9 C -0.7634(12) -0.5072(9) 0.0739(8) 0.063(3) Uani 1 1 d . . .
H9A H -0.7639 -0.4303 0.1055 0.076 Uiso 1 1 calc R . .
C10 C -0.6459(12) -0.6412(9) 0.0397(9) 0.067(4) Uani 1 1 d . . .
H10A H -0.5645 -0.6599 0.0476 0.080 Uiso 1 1 calc R . .
C11 C -0.7740(13) -0.7283(9) -0.0238(9) 0.070(4) Uani 1 1 d . . .
H11A H -0.7749 -0.8051 -0.0592 0.084 Uiso 1 1 calc R . .
C12 C -0.8903(12) -0.6023(9) 0.0088(9) 0.064(4) Uani 1 1 d . . .
H12A H -0.9738 -0.5868 -0.0009 0.076 Uiso 1 1 calc R . .
C13 C 0.3072(11) 0.3933(8) 0.5176(7) 0.050(3) Uani 1 1 d . . .
H13A H 0.4018 0.3962 0.5129 0.060 Uiso 1 1 calc R . .
C14 C 0.0573(11) 0.2920(9) 0.4660(7) 0.046(3) Uani 1 1 d . . .
H14A H -0.0239 0.2231 0.4242 0.056 Uiso 1 1 calc R . .
C15 C 0.0331(11) 0.3859(8) 0.5323(7) 0.041(2) Uani 1 1 d . . .
H15A H -0.0629 0.3808 0.5345 0.049 Uiso 1 1 calc R . .
C16 C 0.2900(11) 0.4919(9) 0.5859(8) 0.057(3) Uani 1 1 d . . .
H16A H 0.3728 0.5610 0.6252 0.069 Uiso 1 1 calc R . .
C17 C 0.1508(11) 0.4897(9) 0.5970(7) 0.043(3) Uani 1 1 d . . .
C18 C 0.1345(10) 0.5958(8) 0.6723(7) 0.041(2) Uani 1 1 d . . .
C19 C 0.0143(12) 0.5829(10) 0.7159(8) 0.053(3) Uani 1 1 d . . .
H19A H -0.0578 0.5061 0.6971 0.064 Uiso 1 1 calc R . .
C20 C 0.2397(12) 0.7136(9) 0.7062(8) 0.059(3) Uani 1 1 d . . .
H20A H 0.3234 0.7271 0.6799 0.071 Uiso 1 1 calc R . .
C21 C 0.2220(13) 0.8095(9) 0.7775(8) 0.057(3) Uani 1 1 d . . .
H21A H 0.2926 0.8875 0.7985 0.069 Uiso 1 1 calc R . .
C22 C -0.0003(12) 0.6792(10) 0.7848(8) 0.048(3) Uani 1 1 d . . .
H22A H -0.0842 0.6682 0.8111 0.058 Uiso 1 1 calc R . .
C23 C 0.0784(12) 0.8946(9) 0.8860(7) 0.050(3) Uani 1 1 d . . .
H23A H 0.1723 0.9622 0.9195 0.060 Uiso 1 1 calc R . .
H23B H 0.0325 0.8736 0.9348 0.060 Uiso 1 1 calc R . .
C24 C -0.0182(10) 0.9322(8) 0.8364(8) 0.039(2) Uani 1 1 d . . .
O1 O -0.0414(7) -0.1316(6) 0.2410(5) 0.0464(18) Uani 1 1 d . . .
OW1 O -0.4158(17) -0.0983(15) 0.0774(15) 0.180(7) Uani 1 1 d D . .
H1D H -0.43(3) -0.036(14) 0.07(2) 0.271 Uiso 1 1 d D . .
H1C H -0.49(2) -0.161(14) 0.029(12) 0.271 Uiso 1 1 d D . .
O2 O 0.0725(7) 0.0223(6) 0.3909(5) 0.0458(17) Uani 1 1 d . . .
O3 O -0.0394(7) 1.0251(6) 0.8928(5) 0.0457(17) Uani 1 1 d . . .
O4 O -0.0636(7) 0.8734(6) 0.7464(5) 0.0451(18) Uani 1 1 d . . .
O5 O 0.3827(9) 0.1629(7) 0.4678(6) 0.056(2) Uani 1 1 d . . .
H5C H 0.489(15) 0.218(11) 0.493(9) 0.084 Uiso 1 1 d . . .
H5D H 0.399(14) 0.102(12) 0.474(9) 0.084 Uiso 1 1 d . . .
N1 N -0.2615(9) -0.2408(8) 0.3046(6) 0.048(2) Uani 1 1 d . . .
N2 N -0.8970(9) -0.7127(7) -0.0393(6) 0.045(2) Uani 1 1 d . . .
N3 N 0.1914(9) 0.2932(6) 0.4575(5) 0.040(2) Uani 1 1 d . . .
N4 N 0.1041(10) 0.7911(7) 0.8165(6) 0.048(2) Uani 1 1 d . . .
N5 N 0.2248(10) -0.1669(8) 0.0385(7) 0.054(2) Uani 1 1 d . . .
N6 N 0.2438(12) -0.2568(12) -0.0109(9) 0.077(3) Uani 1 1 d . . .
N7 N 0.267(2) -0.3402(14) -0.0610(12) 0.144(7) Uani 1 1 d . . .
N8 N 0.1407(11) -0.2736(8) 0.1811(7) 0.058(3) Uani 1 1 d . . .
N9 N 0.1498(10) -0.2699(8) 0.2566(9) 0.053(2) Uani 1 1 d . . .
N10 N 0.1622(15) -0.2649(11) 0.3374(10) 0.096(4) Uani 1 1 d . . .
N11 N 0.3879(10) 0.2610(8) 0.3118(7) 0.053(2) Uani 1 1 d . . .
N12 N 0.3620(12) 0.3422(12) 0.3044(9) 0.082(4) Uani 1 1 d . . .
N13 N 0.3446(14) 0.4369(14) 0.3060(11) 0.109(5) Uani 1 1 d . . .
N14 N 0.2774(10) -0.0038(7) 0.2550(6) 0.050(2) Uani 1 1 d . . .
N15 N 0.3948(11) -0.0085(8) 0.2734(6) 0.052(2) Uani 1 1 d . . .
N16 N 0.5082(13) -0.0097(11) 0.2905(9) 0.096(4) Uani 1 1 d . . .
OW2 O 0.4097(16) 0.1028(15) 0.1065(11) 0.159(6) Uani 1 1 d D . .
H2C H 0.46(2) 0.174(11) 0.110(16) 0.239 Uiso 1 1 d D . .
H2D H 0.325(12) 0.08(2) 0.07(2) 0.239 Uiso 1 1 d D . .
OW3 O 0.3261(15) -0.0375(9) 0.5092(8) 0.104(4) Uani 1 1 d D . .
H3C H 0.31(2) -0.077(13) 0.544(10) 0.155 Uiso 1 1 d D . .
H3D H 0.32(2) -0.086(12) 0.452(5) 0.155 Uiso 1 1 d D . .
OW4 O 0.6525(11) 0.3415(9) 0.5620(9) 0.106(4) Uani 1 1 d D . .
H4C H 0.646(18) 0.411(10) 0.602(11) 0.158 Uiso 1 1 d D . .
H4B H 0.738(10) 0.350(14) 0.586(12) 0.158 Uiso 1 1 d 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
O4 Co1 O2 89.2(3) 2_566 . ?
O4 Co1 N14 96.9(3) 2_566 . ?
O2 Co1 N14 90.2(3) . . ?
O4 Co1 N11 90.3(3) 2_566 . ?
O2 Co1 N11 179.4(3) . . ?
N14 Co1 N11 89.8(4) . . ?
O4 Co1 O5 172.1(3) 2_566 . ?
O2 Co1 O5 86.3(3) . . ?
N14 Co1 O5 89.6(3) . . ?
N11 Co1 O5 94.2(4) . . ?
O4 Co1 N3 85.9(3) 2_566 . ?
O2 Co1 N3 90.6(3) . . ?
N14 Co1 N3 177.1(3) . . ?
N11 Co1 N3 89.5(3) . . ?
O5 Co1 N3 87.7(3) . . ?
O1 Co2 N5 176.8(3) . . ?
O1 Co2 O3 88.2(3) . 2_566 ?
N5 Co2 O3 91.6(3) . 2_566 ?
O1 Co2 N14 90.4(3) . . ?
N5 Co2 N14 92.8(4) . . ?
O3 Co2 N14 92.3(3) 2_566 . ?
O1 Co2 N8 88.5(3) . . ?
N5 Co2 N8 91.6(4) . . ?
O3 Co2 N8 176.1(3) 2_566 . ?
N14 Co2 N8 89.8(4) . . ?
O1 Co2 N2 83.5(3) . 2_445 ?
N5 Co2 N2 93.3(3) . 2_445 ?
O3 Co2 N2 87.2(3) 2_566 2_445 ?
N14 Co2 N2 173.9(3) . 2_445 ?
N8 Co2 N2 90.4(4) . 2_445 ?
O2 C1 O1 130.0(9) . . ?
O2 C1 C2 114.5(9) . . ?
O1 C1 C2 115.5(8) . . ?
N1 C2 C1 111.5(8) . . ?
N1 C2 H2A 109.3 . . ?
C1 C2 H2A 109.3 . . ?
N1 C2 H2B 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
N1 C3 C6 123.0(11) . . ?
N1 C3 H3A 118.5 . . ?
C6 C3 H3A 118.5 . . ?
N1 C4 C5 122.9(11) . . ?
N1 C4 H4A 118.5 . . ?
C5 C4 H4A 118.5 . . ?
C7 C5 C4 118.9(11) . . ?
C7 C5 H5A 120.6 . . ?
C4 C5 H5A 120.6 . . ?
C3 C6 C7 118.6(10) . . ?
C3 C6 H6A 120.7 . . ?
C7 C6 H6A 120.7 . . ?
C5 C7 C6 117.6(9) . . ?
C5 C7 C8 121.8(10) . . ?
C6 C7 C8 120.6(9) . . ?
C9 C8 C10 115.4(9) . . ?
C9 C8 C7 120.5(9) . . ?
C10 C8 C7 124.1(10) . . ?
C8 C9 C12 121.1(10) . . ?
C8 C9 H9A 119.4 . . ?
C12 C9 H9A 119.4 . . ?
C11 C10 C8 119.5(11) . . ?
C11 C10 H10A 120.2 . . ?
C8 C10 H10A 120.2 . . ?
N2 C11 C10 125.4(10) . . ?
N2 C11 H11A 117.3 . . ?
C10 C11 H11A 117.3 . . ?
N2 C12 C9 122.8(10) . . ?
N2 C12 H12A 118.6 . . ?
C9 C12 H12A 118.6 . . ?
N3 C13 C16 121.8(10) . . ?
N3 C13 H13A 119.1 . . ?
C16 C13 H13A 119.1 . . ?
N3 C14 C15 123.4(9) . . ?
N3 C14 H14A 118.3 . . ?
C15 C14 H14A 118.3 . . ?
C14 C15 C17 120.2(10) . . ?
C14 C15 H15A 119.9 . . ?
C17 C15 H15A 119.9 . . ?
C13 C16 C17 120.7(9) . . ?
C13 C16 H16A 119.6 . . ?
C17 C16 H16A 119.6 . . ?
C16 C17 C15 116.1(9) . . ?
C16 C17 C18 120.0(9) . . ?
C15 C17 C18 123.9(9) . . ?
C19 C18 C20 115.9(9) . . ?
C19 C18 C17 121.1(9) . . ?
C20 C18 C17 123.0(10) . . ?
C22 C19 C18 121.3(10) . . ?
C22 C19 H19A 119.4 . . ?
C18 C19 H19A 119.4 . . ?
C21 C20 C18 121.3(11) . . ?
C21 C20 H20A 119.4 . . ?
C18 C20 H20A 119.4 . . ?
N4 C21 C20 119.9(10) . . ?
N4 C21 H21A 120.1 . . ?
C20 C21 H21A 120.1 . . ?
C19 C22 N4 121.1(10) . . ?
C19 C22 H22A 119.4 . . ?
N4 C22 H22A 119.4 . . ?
N4 C23 C24 112.1(8) . . ?
N4 C23 H23A 109.2 . . ?
C24 C23 H23A 109.2 . . ?
N4 C23 H23B 109.2 . . ?
C24 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
O4 C24 O3 127.6(9) . . ?
O4 C24 C23 117.4(8) . . ?
O3 C24 C23 114.9(9) . . ?
C1 O1 Co2 135.1(6) . . ?
H1D OW1 H1C 99(7) . . ?
C1 O2 Co1 124.8(7) . . ?
C24 O3 Co2 128.6(6) . 2_566 ?
C24 O4 Co1 133.5(6) . 2_566 ?
Co1 O5 H5C 129(7) . . ?
Co1 O5 H5D 125(8) . . ?
H5C O5 H5D 92(10) . . ?
C4 N1 C3 118.8(9) . . ?
C4 N1 C2 119.0(10) . . ?
C3 N1 C2 122.1(10) . . ?
C12 N2 C11 115.7(9) . . ?
C12 N2 Co2 120.5(7) . 2_445 ?
C11 N2 Co2 123.7(7) . 2_445 ?
C14 N3 C13 117.6(8) . . ?
C14 N3 Co1 123.3(6) . . ?
C13 N3 Co1 119.1(7) . . ?
C21 N4 C22 120.5(9) . . ?
C21 N4 C23 119.8(9) . . ?
C22 N4 C23 119.3(9) . . ?
N6 N5 Co2 127.8(8) . . ?
N7 N6 N5 176.3(15) . . ?
N9 N8 Co2 125.1(8) . . ?
N8 N9 N10 178.9(14) . . ?
N12 N11 Co1 118.7(8) . . ?
N11 N12 N13 173.5(14) . . ?
N15 N14 Co1 119.5(6) . . ?
N15 N14 Co2 124.6(7) . . ?
Co1 N14 Co2 115.1(4) . . ?
N16 N15 N14 177.8(13) . . ?
H2C OW2 H2D 105(8) . . ?
H3C OW3 H3D 109(7) . . ?
H4C OW4 H4B 103(6) . . ?
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
Co1 O4 2.070(6) 2_566 ?
Co1 O2 2.083(7) . ?
Co1 N14 2.111(8) . ?
Co1 N11 2.113(9) . ?
Co1 O5 2.114(7) . ?
Co1 N3 2.175(8) . ?
Co2 O1 2.069(7) . ?
Co2 N5 2.072(9) . ?
Co2 O3 2.077(7) 2_566 ?
Co2 N14 2.117(8) . ?
Co2 N8 2.132(10) . ?
Co2 N2 2.169(8) 2_445 ?
C1 O2 1.237(10) . ?
C1 O1 1.254(11) . ?
C1 C2 1.521(14) . ?
C2 N1 1.466(12) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 N1 1.311(14) . ?
C3 C6 1.364(14) . ?
C3 H3A 0.9300 . ?
C4 N1 1.295(15) . ?
C4 C5 1.397(15) . ?
C4 H4A 0.9300 . ?
C5 C7 1.351(14) . ?
C5 H5A 0.9300 . ?
C6 C7 1.406(14) . ?
C6 H6A 0.9300 . ?
C7 C8 1.491(13) . ?
C8 C9 1.369(15) . ?
C8 C10 1.379(14) . ?
C9 C12 1.394(14) . ?
C9 H9A 0.9300 . ?
C10 C11 1.365(14) . ?
C10 H10A 0.9300 . ?
C11 N2 1.321(14) . ?
C11 H11A 0.9300 . ?
C12 N2 1.311(12) . ?
C12 H12A 0.9300 . ?
C13 N3 1.338(11) . ?
C13 C16 1.371(14) . ?
C13 H13A 0.9300 . ?
C14 N3 1.333(12) . ?
C14 C15 1.352(13) . ?
C14 H14A 0.9300 . ?
C15 C17 1.387(13) . ?
C15 H15A 0.9300 . ?
C16 C17 1.386(14) . ?
C16 H16A 0.9300 . ?
C17 C18 1.476(13) . ?
C18 C19 1.382(14) . ?
C18 C20 1.396(14) . ?
C19 C22 1.343(14) . ?
C19 H19A 0.9300 . ?
C20 C21 1.370(15) . ?
C20 H20A 0.9300 . ?
C21 N4 1.326(13) . ?
C21 H21A 0.9300 . ?
C22 N4 1.343(13) . ?
C22 H22A 0.9300 . ?
C23 N4 1.465(12) . ?
C23 C24 1.498(14) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 O4 1.241(11) . ?
C24 O3 1.275(11) . ?
OW1 H1D 0.90(5) . ?
OW1 H1C 0.91(5) . ?
O3 Co2 2.077(7) 2_566 ?
O4 Co1 2.070(6) 2_566 ?
O5 H5C 1.00(13) . ?
O5 H5D 0.90(13) . ?
N2 Co2 2.169(8) 2_445 ?
N5 N6 1.204(14) . ?
N6 N7 1.165(16) . ?
N8 N9 1.127(12) . ?
N9 N10 1.200(15) . ?
N11 N12 1.214(15) . ?
N12 N13 1.296(17) . ?
N14 N15 1.205(12) . ?
N15 N16 1.142(13) . ?
OW2 H2C 0.88(5) . ?
OW2 H2D 0.85(5) . ?
OW3 H3C 0.86(4) . ?
OW3 H3D 0.85(4) . ?
OW4 H4C 0.90(4) . ?
OW4 H4B 0.86(4) . ?
