#------------------------------------------------------------------------------
#$Date: 2016-05-06 03:52:36 +0300 (Fri, 06 May 2016) $
#$Revision: 182646 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/45/7224552.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_7224552
loop_
_publ_author_name
'Huang, Tao'
'Wang, Yu-Ling'
'Yin, Qi'
'Karadeniz, Bahar'
'Li, Hong-Fang'
'Lü, Jian'
'Cao, Rong'
_publ_section_title
;
 Cobalt coordination polymers regulated by in situ ligand transformation
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              2742
_journal_paper_doi               10.1039/C6CE00104A
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C56 H34 Co3 N10 O12'
_chemical_formula_sum            'C56 H34 Co3 N10 O12'
_chemical_formula_weight         1215.72
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2015-11-23
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2015-12-02 deposited with the CCDC.
2016-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                106.650(3)
_cell_angle_beta                 91.064(4)
_cell_angle_gamma                98.714(4)
_cell_formula_units_Z            1
_cell_length_a                   6.7020(3)
_cell_length_b                   11.4636(4)
_cell_length_c                   17.2245(6)
_cell_measurement_reflns_used    5288
_cell_measurement_temperature    185.00(10)
_cell_measurement_theta_max      73.1690
_cell_measurement_theta_min      4.1420
_cell_volume                     1250.54(9)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      185.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.5594
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_details
;
  1 omega  -95.00   -2.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.1492  125.0000  -30.0000 93

  2 omega  -86.00   41.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.1492   19.0000    0.0000 127

  3 omega  -50.00   36.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.1492   38.0000 -120.0000 86

  4 omega    1.00   82.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       40.1492  -99.0000   90.0000 81

  5 omega   23.00   97.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       40.1492 -125.0000 -120.0000 74

  6 omega   23.00   97.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       40.1492 -125.0000  150.0000 74

  7 omega   61.00  167.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  -15.0000  -60.0000 106

  8 omega   32.00   58.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  -15.0000  -60.0000 26

  9 omega  138.00  174.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  125.0000  -90.0000 36

 10 omega   49.00   90.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  -30.0000 -120.0000 41

 11 omega   38.00  120.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872 -125.0000  150.0000 82

 12 omega   33.00   63.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  -45.0000 -150.0000 30

 13 omega   28.00   90.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  -30.0000   90.0000 62

 14 omega   31.00   78.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  -30.0000  150.0000 47

 15 omega   40.00  109.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  -94.0000 -150.0000 69

 16 omega   22.00  108.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  -94.0000  -60.0000 86

 17 omega   28.00   79.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  -30.0000  -60.0000 51

 18 omega   51.00   77.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  -30.0000    0.0000 26

 19 omega   69.00  139.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  -77.0000  -60.0000 70

 20 omega   94.00  122.00   1.0000    2.5400
omega____ theta____ kappa____ phi______ frames
    -      106.2872  125.0000  -90.0000 28
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0456026000
_diffrn_orient_matrix_UB_12      -0.1045301000
_diffrn_orient_matrix_UB_13      -0.0805073000
_diffrn_orient_matrix_UB_21      -0.2174644000
_diffrn_orient_matrix_UB_22      0.0268967000
_diffrn_orient_matrix_UB_23      -0.0049992000
_diffrn_orient_matrix_UB_31      0.0702999000
_diffrn_orient_matrix_UB_32      0.0925577000
_diffrn_orient_matrix_UB_33      -0.0473930000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9370
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.241
_diffrn_reflns_theta_min         4.080
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    8.367
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.36625
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_F_000             617
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.506
_refine_diff_density_min         -0.551
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         4868
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0465P)²+0.8439P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0909
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4481
_reflns_number_total             4868
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6ce00104a2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7224550--7224552.cif.'
_cod_original_cell_volume        1250.53(9)
_cod_database_code               7224552
_shelxl_version_number           2013-4
_chemical_oxdiff_formula         'C H N O Co'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O3AA(H3AA,H3AB)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C22(H22), C25(H25), C27(H27), C28(H28), C31(H31), C32(H32),
 C34(H34), C35(H35), C36(H36), C37(H37), C40(H40), C5(H5), C6(H6)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Co1 Co 1.0000 0.5000 0.0000 0.00864(11) Uani 1 2 d S T P
Co2 Co 0.46282(5) 0.47567(3) 0.08263(2) 0.01094(10) Uani 1 1 d . . .
O0AA O 0.9902(2) 0.68057(14) -0.00199(9) 0.0165(3) Uani 1 1 d . . .
N7 N 0.5915(3) 0.39138(18) 0.17116(12) 0.0183(4) Uani 1 1 d . . .
C9 C 0.8586(3) 0.74291(19) -0.01209(13) 0.0151(4) Uani 1 1 d . . .
N10 N 1.0069(3) 0.16752(19) 0.30459(12) 0.0208(4) Uani 1 1 d . . .
C12 C 0.8628(4) 0.2998(2) 0.20882(14) 0.0206(5) Uani 1 1 d . . .
H12 H 0.9829 0.2698 0.1954 0.025 Uiso 1 1 calc R . .
N13 N 1.2697(4) 0.0377(2) 0.52259(14) 0.0308(5) Uani 1 1 d . . .
N16 N 1.4719(4) -0.1355(2) 0.21125(15) 0.0338(5) Uani 1 1 d . . .
C18 C 0.9824(4) 0.2387(2) 0.47338(13) 0.0182(4) Uani 1 1 d . . .
C19 C 0.8908(4) 0.2508(2) 0.33929(14) 0.0190(5) Uani 1 1 d . . .
C20 C 1.1971(4) 0.0874(2) 0.48350(14) 0.0214(5) Uani 1 1 d . . .
C21 C 0.7800(4) 0.2977(2) 0.28179(14) 0.0196(5) Uani 1 1 d . . .
C22 C 1.1286(4) 0.3152(2) 0.61715(14) 0.0197(5) Uani 1 1 d . . .
H22 H 1.2577 0.3138 0.5984 0.024 Uiso 1 1 calc R . .
C23 C 0.9601(4) 0.2757(2) 0.56216(13) 0.0179(4) Uani 1 1 d . . .
C24 C 0.8809(4) 0.2919(2) 0.42379(14) 0.0211(5) Uani 1 1 d . . .
C25 C 1.1386(4) 0.9212(2) -0.00241(16) 0.0237(5) Uani 1 1 d . . .
H25 H 1.2318 0.8682 -0.0043 0.028 Uiso 1 1 calc R . .
C26 C 1.1145(4) 0.1196(2) 0.35043(14) 0.0182(5) Uani 1 1 d . . .
C27 C 0.7640(4) 0.3473(2) 0.15629(14) 0.0196(5) Uani 1 1 d . . .
H27 H 0.8218 0.3485 0.1078 0.024 Uiso 1 1 calc R . .
C28 C 0.5956(4) 0.3386(3) 0.29661(15) 0.0256(5) Uani 1 1 d . . .
H28 H 0.5322 0.3357 0.3438 0.031 Uiso 1 1 calc R . .
C29 C 0.9328(4) 0.8768(2) -0.00501(14) 0.0184(4) Uani 1 1 d . . .
C30 C 1.1007(3) 0.1504(2) 0.43522(13) 0.0176(4) Uani 1 1 d . . .
C31 C 0.7679(4) 0.2756(2) 0.59129(14) 0.0237(5) Uani 1 1 d . . .
H31 H 0.6543 0.2449 0.5552 0.028 Uiso 1 1 calc R . .
C32 C 0.7942(4) 0.9558(2) -0.00293(17) 0.0245(5) Uani 1 1 d . . .
H32 H 0.6564 0.9265 -0.0051 0.029 Uiso 1 1 calc R . .
C33 C 1.2405(4) 0.0308(2) 0.30443(14) 0.0208(5) Uani 1 1 d . . .
C34 C 1.5376(4) -0.0635(3) 0.28572(18) 0.0310(6) Uani 1 1 d . . .
H34 H 1.6638 -0.0697 0.3061 0.037 Uiso 1 1 calc R . .
C35 C 0.5074(4) 0.3837(2) 0.24005(15) 0.0248(5) Uani 1 1 d . . .
H35 H 0.3833 0.4100 0.2504 0.030 Uiso 1 1 calc R . .
C36 C 1.4292(4) 0.0199(2) 0.33456(16) 0.0250(5) Uani 1 1 d . . .
H36 H 1.4812 0.0676 0.3863 0.030 Uiso 1 1 calc R . .
C37 C 1.1713(4) -0.0439(2) 0.22641(15) 0.0284(6) Uani 1 1 d . . .
H37 H 1.0471 -0.0384 0.2039 0.034 Uiso 1 1 calc R . .
C39 C 0.7914(5) 0.3992(3) 0.46271(18) 0.0384(7) Uani 1 1 d . . .
C40 C 1.2887(5) -0.1256(3) 0.18318(16) 0.0340(6) Uani 1 1 d . . .
H40 H 1.2386 -0.1765 0.1320 0.041 Uiso 1 1 calc R . .
N1 N 0.7292(5) 0.4884(3) 0.49542(19) 0.0555(8) Uani 1 1 d . . .
C4 C 0.9133(3) 0.3630(2) 0.72851(13) 0.0154(4) Uani 1 1 d . . .
C5 C 1.1047(4) 0.3568(2) 0.70011(13) 0.0186(5) Uani 1 1 d . . .
H5 H 1.2176 0.3806 0.7367 0.022 Uiso 1 1 calc R . .
C6 C 0.7445(4) 0.3209(2) 0.67355(14) 0.0232(5) Uani 1 1 d . . .
H6 H 0.6155 0.3233 0.6923 0.028 Uiso 1 1 calc R . .
C3 C 0.8817(3) 0.4212(2) 0.81650(13) 0.0146(4) Uani 1 1 d . . .
O1 O 1.0008(2) 0.41147(14) 0.87062(9) 0.0162(3) Uani 1 1 d . . .
O2 O 0.7366(3) 0.47914(17) 0.82892(10) 0.0241(4) Uani 1 1 d . . .
O1AA O 0.6731(2) 0.70454(14) -0.02956(11) 0.0210(3) Uani 1 1 d . . .
O2AA O 0.6858(2) 0.45071(14) -0.00168(9) 0.0109(3) Uani 1 1 d . . .
O3AA O 0.6303(3) 0.65196(15) 0.13985(11) 0.0248(4) Uani 1 1 d . . .
H3AA H 0.7547 0.6458 0.1452 0.037 Uiso 1 1 d GR . .
H3AB H 0.5864 0.6796 0.1867 0.037 Uiso 1 1 d GR . .
H2AA H 0.671(4) 0.381(3) -0.0230(18) 0.017(7) Uiso 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 '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
O0AA Co1 O0AA 180.0 . 2_765
O0AA Co1 O1 99.23(6) 2_765 2_766
O0AA Co1 O1 80.77(6) . 2_766
O0AA Co1 O1 80.77(6) 2_765 1_554
O0AA Co1 O1 99.23(6) . 1_554
O0AA Co1 O2AA 94.78(6) . .
O0AA Co1 O2AA 85.22(6) 2_765 .
O0AA Co1 O2AA 85.22(6) . 2_765
O0AA Co1 O2AA 94.78(6) 2_765 2_765
O1 Co1 O1 180.00(8) 1_554 2_766
O2AA Co1 O1 88.06(6) 2_765 1_554
O2AA Co1 O1 91.94(6) 2_765 2_766
O2AA Co1 O1 91.94(6) . 1_554
O2AA Co1 O1 88.06(6) . 2_766
O2AA Co1 O2AA 180.0 . 2_765
O2 Co2 N7 82.33(7) 2_666 .
O2 Co2 O1AA 97.50(7) 2_666 2_665
O2 Co2 O2AA 93.61(6) 2_666 2_665
O2 Co2 O2AA 173.19(7) 2_666 .
O2 Co2 O3AA 85.57(7) 2_666 .
O1AA Co2 N7 82.02(7) 2_665 .
O1AA Co2 O2AA 89.31(6) 2_665 .
O1AA Co2 O2AA 95.26(6) 2_665 2_665
O1AA Co2 O3AA 173.62(6) 2_665 .
O2AA Co2 N7 98.40(6) . .
O2AA Co2 N7 174.74(7) 2_665 .
O2AA Co2 O2AA 86.02(6) . 2_665
O2AA Co2 O3AA 87.63(7) . .
O3AA Co2 N7 92.89(7) . .
O3AA Co2 O2AA 90.11(6) . 2_665
C9 O0AA Co1 137.56(14) . .
C27 N7 Co2 119.02(15) . .
C27 N7 C35 116.67(19) . .
C35 N7 Co2 124.30(16) . .
O0AA C9 C29 116.5(2) . .
O0AA C9 O1AA 126.70(19) . .
O1AA C9 C29 116.82(19) . .
C19 N10 C26 120.2(2) . .
C27 C12 C21 119.1(2) . .
C34 N16 C40 117.0(2) . .
C24 C18 C23 119.9(2) . .
C30 C18 C23 122.9(2) . .
C30 C18 C24 117.3(2) . .
N10 C19 C21 115.0(2) . .
N10 C19 C24 121.5(2) . .
C24 C19 C21 123.5(2) . .
N13 C20 C30 178.6(3) . .
C12 C21 C19 118.8(2) . .
C12 C21 C28 117.6(2) . .
C28 C21 C19 123.5(2) . .
C5 C22 C23 120.3(2) . .
C22 C23 C18 121.2(2) . .
C31 C23 C18 119.6(2) . .
C31 C23 C22 119.2(2) . .
C18 C24 C39 118.0(2) . .
C19 C24 C18 119.8(2) . .
C19 C24 C39 121.6(2) . .
C32 C25 C29 120.4(2) 2_775 .
N10 C26 C30 121.2(2) . .
N10 C26 C33 114.6(2) . .
C30 C26 C33 124.1(2) . .
N7 C27 C12 123.9(2) . .
C35 C28 C21 119.1(2) . .
C25 C29 C9 120.7(2) . .
C32 C29 C9 119.6(2) . .
C32 C29 C25 119.6(2) . .
C18 C30 C20 118.9(2) . .
C18 C30 C26 119.7(2) . .
C26 C30 C20 121.2(2) . .
C6 C31 C23 120.4(2) . .
C29 C32 C25 120.0(2) . 2_775
C36 C33 C26 123.0(2) . .
C36 C33 C37 117.8(2) . .
C37 C33 C26 119.2(2) . .
N16 C34 C36 124.0(3) . .
N7 C35 C28 123.5(2) . .
C34 C36 C33 118.5(2) . .
C40 C37 C33 119.4(3) . .
N1 C39 C24 176.6(4) . .
N16 C40 C37 123.3(3) . .
C5 C4 C6 119.4(2) . .
C5 C4 C3 122.1(2) . .
C6 C4 C3 118.4(2) . .
C4 C5 C22 120.3(2) . .
C31 C6 C4 120.3(2) . .
O1 C3 C4 119.67(19) . .
O2 C3 C4 115.01(19) . .
O2 C3 O1 125.3(2) . .
C3 O1 Co1 126.07(14) . 1_556
C3 O2 Co2 137.69(15) . 2_666
C9 O1AA Co2 126.71(14) . 2_665
Co1 O2AA Co2 136.81(8) . .
Co1 O2AA Co2 110.66(6) . 2_665
Co2 O2AA Co2 93.97(6) . 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O0AA 2.0910(14) .
Co1 O0AA 2.0911(14) 2_765
Co1 O1 2.1685(15) 1_554
Co1 O1 2.1685(15) 2_766
Co1 O2AA 2.0934(14) .
Co1 O2AA 2.0934(14) 2_765
Co2 N7 2.2475(18) .
Co2 O2 2.0514(16) 2_666
Co2 O1AA 2.0616(16) 2_665
Co2 O2AA 2.1274(14) 2_665
Co2 O2AA 2.0967(15) .
Co2 O3AA 2.1083(17) .
O0AA C9 1.255(3) .
N7 C27 1.331(3) .
N7 C35 1.343(3) .
C9 C29 1.509(3) .
C9 O1AA 1.255(3) .
N10 C19 1.338(3) .
N10 C26 1.339(3) .
C12 C21 1.388(3) .
C12 C27 1.387(3) .
N13 C20 1.144(3) .
N16 C34 1.335(4) .
N16 C40 1.344(4) .
C18 C23 1.482(3) .
C18 C24 1.402(3) .
C18 C30 1.402(3) .
C19 C21 1.490(3) .
C19 C24 1.402(3) .
C20 C30 1.448(3) .
C21 C28 1.390(3) .
C22 C23 1.392(3) .
C22 C5 1.391(3) .
C23 C31 1.391(3) .
C24 C39 1.446(4) .
C25 C29 1.391(3) .
C25 C32 1.390(3) 2_775
C26 C30 1.409(3) .
C26 C33 1.483(3) .
C28 C35 1.388(3) .
C29 C32 1.386(3) .
C31 C6 1.383(3) .
C32 C25 1.390(3) 2_775
C33 C36 1.395(3) .
C33 C37 1.397(3) .
C34 C36 1.387(3) .
C37 C40 1.377(4) .
C39 N1 1.159(4) .
C4 C5 1.385(3) .
C4 C6 1.394(3) .
C4 C3 1.504(3) .
C3 O1 1.256(3) .
C3 O2 1.247(3) .
O1 Co1 2.1685(15) 1_556
O2 Co2 2.0514(16) 2_666
O1AA Co2 2.0615(16) 2_665
O2AA Co2 2.1273(14) 2_665
