#------------------------------------------------------------------------------
#$Date: 2016-01-08 09:47:55 +0200 (Fri, 08 Jan 2016) $
#$Revision: 173686 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/38/7223814.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_7223814
loop_
_publ_author_name
'Chen, Yu'
'Yang, Juan'
'Wang, Xichi'
'Xu, Yuci'
'Xu, Huiling'
'Zeng, Xiaoshan'
'Xiao, Dongrong'
_publ_section_title
;
 Syntheses, structures and properties of five entangled coordination
 polymers constructed with trigonal N-donor ligands
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA19086J
_journal_year                    2016
_chemical_formula_moiety         'C27 H20 Co1.5 N6 O7'
_chemical_formula_sum            'C27 H20 Co1.5 N6 O7'
_chemical_formula_weight         628.88
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2015-05-08
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-06-17 deposited with the CCDC.
2016-01-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 130.063(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.3457(5)
_cell_length_b                   11.56051(10)
_cell_length_c                   20.1709(4)
_cell_measurement_reflns_used    25306
_cell_measurement_temperature    289.73(14)
_cell_measurement_theta_max      71.4060
_cell_measurement_theta_min      4.3900
_cell_volume                     5058.7(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      289.73(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0243
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega    1.00   76.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203  -99.0000 -150.0000 75

  2 omega   57.00  109.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203  178.0000  -60.0000 52

  3 omega    1.00   76.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203  -99.0000  -30.0000 75

  4 omega   10.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   77.0000   30.0000 94

  5 omega  -31.00   63.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203  -77.0000   30.0000 94

  6 omega   10.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   77.0000  150.0000 94

  7 omega  -31.00   53.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203  -57.0000   90.0000 84

  8 omega   18.00  106.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   38.0000  -30.0000 88

  9 omega   20.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   57.0000  -90.0000 84

 10 omega   39.00  110.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -95.0000   90.0000 71

 11 omega   40.00   98.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000  -60.0000 58

 12 omega   38.00   91.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000 -180.0000 53

 13 omega   91.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000   60.0000 85

 14 omega   39.00  110.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -95.0000  120.0000 71

 15 omega   38.00   91.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000   60.0000 53

 16 omega   39.00  177.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000    0.0000  -90.0000 138

 17 omega   40.00  135.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000  -90.0000 95

 18 omega   38.00   91.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000 -120.0000 53

 19 omega   40.00  135.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000 -150.0000 95

 20 omega   39.00  110.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -95.0000  150.0000 71

 21 omega   38.00   91.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  120.0000 53

 22 omega   91.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000  120.0000 85

 23 omega   40.00   98.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000    0.0000 58

 24 omega   38.00  116.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -112.0000  -60.0000 78

 25 omega   40.00   98.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000  120.0000 58

 26 omega   39.00  110.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -95.0000   30.0000 71

 27 omega   10.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   77.0000  -60.0000 94

 28 omega  -32.00   56.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203  -38.0000  150.0000 88

 29 omega   20.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   57.0000    0.0000 84

 30 omega   20.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   57.0000  120.0000 84

 31 omega   10.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   77.0000  120.0000 94

 32 omega   10.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   77.0000 -150.0000 94

 33 omega  -32.00   56.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203  -38.0000 -120.0000 88

 34 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  120.0000 95

 35 omega   91.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000 -150.0000 85

 36 omega   91.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000   90.0000 85

 37 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000 -120.0000 95

 38 omega   90.00  175.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   61.0000 -180.0000 85

 39 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000    0.0000 95

 40 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  -90.0000 95

 41 omega   90.00  175.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   61.0000   30.0000 85

 42 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  150.0000 95

 43 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000 -150.0000 95

 44 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  -60.0000 95

 45 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  -30.0000 95

 46 omega   90.00  149.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   61.0000   90.0000 59

 47 omega   70.00  178.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   15.0000    0.0000 108
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0651897000
_diffrn_orient_matrix_UB_12      0.0167832000
_diffrn_orient_matrix_UB_13      0.0302317000
_diffrn_orient_matrix_UB_21      -0.0198437000
_diffrn_orient_matrix_UB_22      0.1170595000
_diffrn_orient_matrix_UB_23      -0.0475531000
_diffrn_orient_matrix_UB_31      0.0199970000
_diffrn_orient_matrix_UB_32      0.0614766000
_diffrn_orient_matrix_UB_33      0.0823430000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_unetI/netI     0.0212
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            46039
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.551
_diffrn_reflns_theta_min         4.076
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    8.335
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.37788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark violet'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_description       block
_exptl_crystal_F_000             2564
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.294
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         4932
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0543P)²+3.6240P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0847
_refine_ls_wR_factor_ref         0.0879
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4474
_reflns_number_total             4932
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ra19086j2.cif
_cod_data_source_block           compound-2
_cod_original_cell_volume        5058.8(2)
_cod_original_formula_sum        'C27 H20 Co1.50 N6 O7'
_cod_database_code               7223814
_shelxl_version_number           2014-1
_chemical_oxdiff_formula         'C1 H1 N1 O1 Co1'
_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 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
;
_olex2_date_sample_data_collection 1413190953.28
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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'
'-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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Co1 Co 0.66652(2) -0.22929(3) 0.52626(2) 0.02248(10) Uani 1 1 d . . .
Co2 Co 0.5000 0.5000 0.0000 0.01957(11) Uani 1 2 d S T P
O1 O 0.74326(7) 0.23846(14) 0.89478(10) 0.0348(4) Uani 1 1 d . . .
O2 O 0.79270(7) 0.11903(14) 0.87341(11) 0.0377(4) Uani 1 1 d . . .
O3 O 0.66485(9) -0.13360(18) 0.60735(13) 0.0518(5) Uani 1 1 d . . .
O4 O 0.56530(9) -0.14963(18) 0.53518(15) 0.0644(6) Uani 1 1 d . . .
O5 O 0.59779(7) -0.31964(14) 0.42270(10) 0.0344(3) Uani 1 1 d . . .
O6 O 0.66012(7) -0.44080(17) 0.42496(11) 0.0442(4) Uani 1 1 d . . .
O7 O 0.47702(7) 0.64239(13) 0.03865(11) 0.0337(3) Uani 1 1 d . . .
H7A H 0.4541 0.6213 0.0516 0.051 Uiso 1 1 d GR . .
H7B H 0.4564 0.6940 -0.0028 0.051 Uiso 1 1 d GR . .
N1 N 0.65484(8) -0.09061(15) 0.45374(12) 0.0280(4) Uani 1 1 d . . .
N2 N 0.67033(7) 0.05945(15) 0.40272(11) 0.0243(3) Uani 1 1 d . . .
N3 N 0.94188(7) 0.12037(14) 0.50489(11) 0.0243(3) Uani 1 1 d . . .
N4 N 0.85463(7) 0.20096(14) 0.45844(11) 0.0237(3) Uani 1 1 d . . .
N5 N 0.65852(7) 0.40111(15) 0.25591(11) 0.0259(4) Uani 1 1 d . . .
N6 N 0.57872(7) 0.47664(15) 0.13258(11) 0.0271(4) Uani 1 1 d . . .
C1 C 0.59898(10) -0.0394(2) 0.38932(18) 0.0426(6) Uani 1 1 d . . .
H1 H 0.5610 -0.0647 0.3708 0.051 Uiso 1 1 calc R . .
C2 C 0.60749(10) 0.0523(2) 0.35727(18) 0.0445(6) Uani 1 1 d . . .
H2 H 0.5772 0.1013 0.3133 0.053 Uiso 1 1 calc R . .
C3 C 0.69631(9) -0.02978(18) 0.45943(13) 0.0260(4) Uani 1 1 d . . .
H3 H 0.7383 -0.0459 0.4976 0.031 Uiso 1 1 calc R . .
C4 C 0.70054(8) 0.14208(16) 0.38901(12) 0.0219(4) Uani 1 1 d . . .
C5 C 0.66679(9) 0.23263(17) 0.33224(13) 0.0252(4) Uani 1 1 d . . .
H5 H 0.6249 0.2394 0.3036 0.030 Uiso 1 1 calc R . .
C6 C 0.69580(9) 0.31295(17) 0.31845(13) 0.0247(4) Uani 1 1 d . . .
C7 C 0.75811(9) 0.30590(18) 0.36039(14) 0.0271(4) Uani 1 1 d . . .
H7 H 0.7773 0.3606 0.3510 0.033 Uiso 1 1 calc R . .
C8 C 0.79084(8) 0.21371(17) 0.41711(13) 0.0237(4) Uani 1 1 d . . .
C9 C 0.76332(8) 0.13192(17) 0.43251(13) 0.0236(4) Uani 1 1 d . . .
H9 H 0.7862 0.0714 0.4710 0.028 Uiso 1 1 calc R . .
C10 C 0.89660(10) 0.28917(18) 0.48914(16) 0.0334(5) Uani 1 1 d . . .
H10 H 0.8897 0.3677 0.4898 0.040 Uiso 1 1 calc R . .
C11 C 0.94996(10) 0.23850(18) 0.51820(16) 0.0321(5) Uani 1 1 d . . .
H11 H 0.9867 0.2775 0.5435 0.039 Uiso 1 1 calc R . .
C12 C 0.88390(8) 0.10102(17) 0.46898(13) 0.0229(4) Uani 1 1 d . . .
H12 H 0.8655 0.0284 0.4530 0.028 Uiso 1 1 calc R . .
C13 C 0.66738(11) 0.51877(19) 0.26441(15) 0.0347(5) Uani 1 1 d . . .
H13 H 0.7005 0.5590 0.3124 0.042 Uiso 1 1 calc R . .
C14 C 0.60469(9) 0.38066(18) 0.17543(14) 0.0302(4) Uani 1 1 d . . .
H14 H 0.5883 0.3074 0.1534 0.036 Uiso 1 1 calc R . .
C15 C 0.61747(10) 0.56395(18) 0.18783(14) 0.0337(5) Uani 1 1 d . . .
H15 H 0.6105 0.6424 0.1747 0.040 Uiso 1 1 calc R . .
C16 C 0.74372(9) 0.15719(17) 0.85265(13) 0.0269(4) Uani 1 1 d . . .
C17 C 0.68262(9) 0.10898(17) 0.77613(13) 0.0257(4) Uani 1 1 d . . .
C18 C 0.67916(9) 0.02282(18) 0.72519(13) 0.0264(4) Uani 1 1 d . . .
H18 H 0.7151 -0.0074 0.7395 0.032 Uiso 1 1 calc R . .
C19 C 0.62177(10) -0.01859(18) 0.65247(14) 0.0278(4) Uani 1 1 d . . .
C20 C 0.56833(10) 0.0272(2) 0.63194(16) 0.0356(5) Uani 1 1 d . . .
H20 H 0.5300 -0.0003 0.5839 0.043 Uiso 1 1 calc R . .
C21 C 0.57175(10) 0.1135(2) 0.68243(17) 0.0394(5) Uani 1 1 d . . .
H21 H 0.5358 0.1442 0.6678 0.047 Uiso 1 1 calc R . .
C22 C 0.62870(10) 0.15411(19) 0.75480(15) 0.0323(5) Uani 1 1 d . . .
H22 H 0.6309 0.2114 0.7891 0.039 Uiso 1 1 calc R . .
C23 C 0.61659(11) -0.10765(18) 0.59409(14) 0.0318(5) Uani 1 1 d . . .
C24 C 0.60876(9) -0.40511(18) 0.39401(13) 0.0259(4) Uani 1 1 d . . .
C25 C 0.55225(8) -0.46704(17) 0.31781(12) 0.0232(4) Uani 1 1 d . . .
C26 C 0.55227(10) -0.5871(2) 0.31656(14) 0.0354(5) Uani 1 1 d . . .
H26 H 0.5876 -0.6275 0.3607 0.043 Uiso 1 1 calc R . .
C27 C 0.5000 -0.6471(3) 0.2500 0.0466(9) Uani 1 2 d S T P
H27 H 0.5000 -0.7275 0.2500 0.056 Uiso 1 2 calc RS T P
C28 C 0.5000 -0.4070(2) 0.2500 0.0230(5) Uani 1 2 d S T P
H28 H 0.5000 -0.3266 0.2500 0.028 Uiso 1 2 calc RS T P
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'
Co Co -2.3653 3.6143 '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'
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
O1 Co1 O2 60.27(6) 4_646 4_646
O1 Co1 O3 98.25(8) 4_646 .
O1 Co1 O5 128.49(7) 4_646 .
O1 Co1 N1 104.58(6) 4_646 .
O1 Co1 C16 30.62(7) 4_646 4_646
O2 Co1 C16 29.71(6) 4_646 4_646
O3 Co1 O2 88.04(8) . 4_646
O3 Co1 O5 128.47(7) . .
O3 Co1 N1 94.19(8) . .
O3 Co1 C16 92.09(8) . 4_646
O5 Co1 O2 96.80(6) . 4_646
O5 Co1 N1 93.54(7) . .
O5 Co1 C16 116.33(7) . 4_646
N1 Co1 O2 164.83(6) . 4_646
N1 Co1 C16 135.13(7) . 4_646
O7 Co2 O7 180.0 5_665 .
O7 Co2 N3 86.62(6) 5_665 8_455
O7 Co2 N3 93.38(6) . 8_455
O7 Co2 N3 93.38(6) 5_665 4_655
O7 Co2 N3 86.62(6) . 4_655
O7 Co2 N6 92.42(6) 5_665 .
O7 Co2 N6 92.42(6) . 5_665
O7 Co2 N6 87.58(6) . .
O7 Co2 N6 87.58(6) 5_665 5_665
N3 Co2 N3 180.00(8) 4_655 8_455
N6 Co2 N3 85.82(6) 5_665 8_455
N6 Co2 N3 94.18(6) 5_665 4_655
N6 Co2 N3 85.81(6) . 4_655
N6 Co2 N3 94.19(6) . 8_455
N6 Co2 N6 180.0 . 5_665
C16 O1 Co1 96.45(13) . 4_656
C16 O2 Co1 81.30(12) . 4_656
C23 O3 Co1 123.82(16) . .
C24 O5 Co1 121.17(13) . .
C1 N1 Co1 124.69(14) . .
C3 N1 Co1 129.35(14) . .
C3 N1 C1 105.91(18) . .
C2 N2 C4 126.14(18) . .
C3 N2 C2 106.40(17) . .
C3 N2 C4 127.41(16) . .
C11 N3 Co2 126.63(13) . 4_645
C12 N3 Co2 124.76(13) . 4_645
C12 N3 C11 105.43(16) . .
C10 N4 C8 126.08(17) . .
C12 N4 C8 126.52(17) . .
C12 N4 C10 107.25(15) . .
C13 N5 C6 128.74(18) . .
C14 N5 C6 123.93(18) . .
C14 N5 C13 107.29(17) . .
C14 N6 Co2 128.99(15) . .
C14 N6 C15 105.76(17) . .
C15 N6 Co2 124.76(14) . .
C2 C1 N1 109.86(19) . .
C1 C2 N2 106.37(19) . .
N1 C3 N2 111.45(17) . .
C5 C4 N2 119.13(16) . .
C5 C4 C9 120.51(18) . .
C9 C4 N2 120.36(17) . .
C6 C5 C4 119.42(17) . .
C5 C6 N5 117.40(17) . .
C5 C6 C7 121.84(18) . .
C7 C6 N5 120.69(18) . .
C6 C7 C8 117.40(18) . .
C7 C8 N4 118.78(17) . .
C9 C8 N4 118.89(17) . .
C9 C8 C7 122.29(17) . .
C8 C9 C4 118.54(17) . .
C11 C10 N4 106.01(18) . .
C10 C11 N3 110.13(18) . .
N3 C12 N4 111.18(17) . .
C15 C13 N5 105.41(19) . .
N6 C14 N5 111.47(18) . .
C13 C15 N6 110.06(19) . .
O1 C16 Co1 52.93(10) . 4_656
O1 C16 C17 117.38(18) . .
O2 C16 Co1 68.99(11) . 4_656
O2 C16 O1 121.72(19) . .
O2 C16 C17 120.89(19) . .
C17 C16 Co1 169.11(15) . 4_656
C18 C17 C16 120.84(18) . .
C18 C17 C22 119.90(19) . .
C22 C17 C16 119.23(19) . .
C17 C18 C19 120.14(19) . .
C18 C19 C23 121.3(2) . .
C20 C19 C18 119.3(2) . .
C20 C19 C23 119.3(2) . .
C21 C20 C19 120.5(2) . .
C20 C21 C22 120.1(2) . .
C21 C22 C17 120.0(2) . .
O3 C23 C19 117.2(2) . .
O4 C23 O3 123.9(2) . .
O4 C23 C19 118.9(2) . .
O5 C24 C25 114.80(17) . .
O6 C24 O5 125.6(2) . .
O6 C24 C25 119.5(2) . .
C26 C25 C24 118.74(18) . .
C26 C25 C28 119.56(19) . .
C28 C25 C24 121.70(19) . .
C27 C26 C25 120.3(2) . .
C26 C27 C26 120.0(3) 2_655 .
C25 C28 C25 120.2(3) 2_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.9931(15) 4_646
Co1 O2 2.3442(16) 4_646
Co1 O3 2.0002(18) .
Co1 O5 2.0028(15) .
Co1 N1 2.0484(18) .
Co1 C16 2.482(2) 4_646
Co2 O7 2.0965(15) 5_665
Co2 O7 2.0965(15) .
Co2 N3 2.2067(16) 4_655
Co2 N3 2.2067(16) 8_455
Co2 N6 2.1266(17) .
Co2 N6 2.1266(17) 5_665
O1 Co1 1.9931(15) 4_656
O1 C16 1.273(3) .
O2 Co1 2.3442(16) 4_656
O2 C16 1.244(3) .
O3 C23 1.250(3) .
O4 C23 1.240(3) .
O5 C24 1.281(3) .
O6 C24 1.229(3) .
N1 C1 1.377(3) .
N1 C3 1.310(3) .
N2 C2 1.385(2) .
N2 C3 1.353(3) .
N2 C4 1.424(2) .
N3 Co2 2.2066(16) 4_645
N3 C11 1.382(3) .
N3 C12 1.320(2) .
N4 C8 1.430(2) .
N4 C10 1.375(3) .
N4 C12 1.357(3) .
N5 C6 1.425(2) .
N5 C13 1.374(3) .
N5 C14 1.353(3) .
N6 C14 1.304(3) .
N6 C15 1.375(3) .
C1 C2 1.342(3) .
C4 C5 1.383(3) .
C4 C9 1.393(2) .
C5 C6 1.382(3) .
C6 C7 1.385(3) .
C7 C8 1.393(3) .
C8 C9 1.382(3) .
C10 C11 1.354(3) .
C13 C15 1.359(3) .
C16 Co1 2.482(2) 4_656
C16 C17 1.501(3) .
C17 C18 1.388(3) .
C17 C22 1.395(3) .
C18 C19 1.398(3) .
C19 C20 1.392(3) .
C19 C23 1.499(3) .
C20 C21 1.383(4) .
C21 C22 1.387(3) .
C24 C25 1.507(3) .
C25 C26 1.389(3) .
C25 C28 1.392(2) .
C26 C27 1.385(3) .
C27 C26 1.385(3) 2_655
C28 C25 1.392(2) 2_655
