#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:27:37 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261740 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/01/7060141.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_7060141
loop_
_publ_author_name
'Wu, Tai-Xue'
'Jia, Jun-Song'
'Luo, Wei'
'Bian, He-Dong'
'Tang, Hai-Tao'
'Pan, Ying-Ming'
'Huang, Fu-Ping'
_publ_section_title
;
 A robust heterogeneous Co-MOF catalyst in azide--alkyne cycloaddition and
 Friedel--Crafts reactions as well as hydrosilylation of alkynes
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              872
_journal_page_last               880
_journal_paper_doi               10.1039/D0NJ04626D
_journal_volume                  45
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C16 H13 Co2 N5 O6'
_chemical_formula_sum            'C16 H11 Co2 N5 O6'
_chemical_formula_weight         487.16
_space_group_crystal_system      hexagonal
_space_group_IT_number           173
_space_group_name_Hall           'P 6c'
_space_group_name_H-M_alt        'P 63'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-11-29
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-01-13 deposited with the CCDC.	2020-12-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   21.6539(6)
_cell_length_b                   21.6539(6)
_cell_length_c                   8.3373(3)
_cell_measurement_reflns_used    7850
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.2690
_cell_measurement_theta_min      3.8960
_cell_volume                     3385.54(18)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9784
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     34.00  94.00   0.50   25.00    --   17.77-178.00 150.00  120
  2  ω    -92.00   6.00   0.50   25.00    --  -19.57 -38.00 150.00  196
  3  ω    -41.00  49.00   0.50   25.00    --  -19.57  57.00 -30.00  180
  4  ω    -26.00  43.00   0.50   25.00    --   17.77  19.00  90.00  138
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0196346000
_diffrn_orient_matrix_UB_12      -0.0331821000
_diffrn_orient_matrix_UB_13      -0.0400933000
_diffrn_orient_matrix_UB_21      0.0319507000
_diffrn_orient_matrix_UB_22      -0.0007635000
_diffrn_orient_matrix_UB_23      -0.0134075000
_diffrn_orient_matrix_UB_31      -0.0048362000
_diffrn_orient_matrix_UB_32      -0.0181271000
_diffrn_orient_matrix_UB_33      0.0738641000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            20859
_diffrn_reflns_point_group_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.366
_diffrn_reflns_theta_min         3.764
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.507
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61226
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_description       strip
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.214
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.044
_refine_ls_abs_structure_details
;
 Flack x determined using 1677 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.019(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         4411
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0241
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0245P)²+0.5763P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0563
_refine_ls_wR_factor_ref         0.0587
_reflns_Friedel_coverage         0.786
_reflns_Friedel_fraction_full    0.919
_reflns_Friedel_fraction_max     0.904
_reflns_number_gt                4054
_reflns_number_total             4411
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj04626d2.cif
_cod_data_source_block           20191122-hfp-wtx-l-co-mof-r_sq
_cod_depositor_comments
'Adding full bibliography for 7060141--7060142.cif.'
_cod_original_cell_volume        3385.5(2)
_cod_database_code               7060141
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_max   0.733
_shelx_estimated_absorpt_t_min   0.652
_reflns_odcompleteness_completeness 99.60
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O6(H6A,H6B)
2.b Ternary CH refined with riding coordinates:
 C2(H2)
2.c Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B)
2.d Aromatic/amide H refined with riding coordinates:
 C16(H16), C14(H14), C13(H13), C15(H15), C5(H5), C8(H8), C6(H6), C7(H7)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.389
_oxdiff_exptl_absorpt_empirical_full_min 0.622
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co -0.39247(2) 0.05816(2) -0.04817(8) 0.02078(11) Uani 1 1 d . . . . .
Co2 Co -0.47134(2) -0.10825(2) -0.04681(8) 0.02145(11) Uani 1 1 d . . . . .
O1 O -0.43120(13) 0.08275(12) -0.2574(3) 0.0282(6) Uani 1 1 d . . . . .
O3 O -0.40894(12) -0.02413(12) -0.1873(3) 0.0233(5) Uani 1 1 d . . . . .
C12 C -0.26352(18) 0.11232(18) 0.2940(5) 0.0268(8) Uani 1 1 d . . . . .
O6 O -0.55782(15) -0.18400(14) 0.0965(4) 0.0381(7) Uani 1 1 d . . . . .
H6A H -0.5955 -0.2119 0.0374 0.057 Uiso 1 1 d GR . . . .
H6B H -0.5741 -0.1625 0.1594 0.057 Uiso 1 1 d GR . . . .
C16 C -0.2914(2) 0.15533(19) 0.3275(6) 0.0404(11) Uani 1 1 d . . . . .
H16 H -0.3402 0.1377 0.3195 0.049 Uiso 1 1 calc R . . . .
C14 C -0.1494(2) 0.2125(2) 0.3536(6) 0.0431(11) Uani 1 1 d . . . . .
H14 H -0.1003 0.2317 0.3613 0.052 Uiso 1 1 calc R . . . .
O4 O -0.55010(14) -0.15542(14) -0.2246(3) 0.0358(7) Uani 1 1 d . . . . .
C13 C -0.1904(2) 0.1421(2) 0.3083(6) 0.0450(11) Uani 1 1 d . . . . .
H13 H -0.1691 0.1148 0.2876 0.054 Uiso 1 1 calc R . . . .
C15 C -0.24629(19) 0.22516(19) 0.3733(5) 0.0411(11) Uani 1 1 d . . . . .
H15 H -0.2664 0.2534 0.3962 0.049 Uiso 1 1 calc R . . . .
C2 C -0.42274(17) -0.01666(17) -0.3491(4) 0.0231(7) Uani 1 1 d . . . . .
H2 H -0.3767 0.0055 -0.4045 0.028 Uiso 1 1 calc R . . . .
C3 C -0.47001(19) -0.08727(19) -0.4328(5) 0.0301(8) Uani 1 1 d . . . . .
H3A H -0.4746 -0.0784 -0.5450 0.036 Uiso 1 1 calc R . . . .
H3B H -0.4475 -0.1163 -0.4275 0.036 Uiso 1 1 calc R . . . .
C4 C -0.54343(19) -0.12800(17) -0.3590(5) 0.0273(8) Uani 1 1 d . . . . .
O2 O -0.48995(13) 0.03152(13) -0.4817(3) 0.0292(6) Uani 1 1 d . . . . .
O5 O -0.59617(13) -0.13436(13) -0.4365(3) 0.0336(6) Uani 1 1 d . . . . .
C1 C -0.45141(17) 0.03570(17) -0.3646(4) 0.0225(7) Uani 1 1 d . . . . .
N2 N -0.30315(15) -0.01718(15) 0.3106(4) 0.0304(7) Uani 1 1 d . . . . .
C11 C -0.30976(17) 0.03693(17) 0.2477(4) 0.0239(7) Uani 1 1 d . . . . .
N3 N -0.36398(14) 0.01453(13) 0.1455(4) 0.0226(6) Uani 1 1 d . . . . .
N4 N -0.39576(14) -0.05837(14) 0.1409(4) 0.0218(6) Uani 1 1 d . . . . .
C10 C -0.35830(18) -0.07473(17) 0.2439(4) 0.0243(8) Uani 1 1 d . . . . .
C9 C -0.37743(19) -0.14878(17) 0.2846(4) 0.0255(8) Uani 1 1 d . . . . .
C5 C -0.44816(19) -0.20052(18) 0.3050(5) 0.0330(9) Uani 1 1 d . . . . .
H5 H -0.4841 -0.1897 0.2864 0.040 Uiso 1 1 calc R . . . .
C8 C -0.3272(2) -0.1683(2) 0.3127(6) 0.0450(11) Uani 1 1 d . . . . .
H8 H -0.2789 -0.1352 0.3025 0.054 Uiso 1 1 calc R . . . .
C6 C -0.46508(19) -0.26762(18) 0.3524(5) 0.0333(9) Uani 1 1 d . . . . .
H6 H -0.5129 -0.3014 0.3666 0.040 Uiso 1 1 calc R . . . .
C7 C -0.3493(2) -0.2377(2) 0.3564(6) 0.0471(12) Uani 1 1 d . . . . .
H7 H -0.3147 -0.2508 0.3709 0.057 Uiso 1 1 calc R . . . .
N5 N -0.41679(15) -0.28681(15) 0.3790(4) 0.0285(7) Uani 1 1 d . . . . .
N1 N -0.17626(15) 0.25427(15) 0.3867(4) 0.0272(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'
Co Co 0.3494 0.9721 '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'
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
O1 Co1 O2 90.02(9) . 4_455 ?
O3 Co1 O1 80.19(9) . . ?
O3 Co1 O2 76.47(9) . 4_455 ?
O3 Co1 O5 162.98(10) . 4_455 ?
O3 Co1 N3 90.38(10) . . ?
O3 Co1 N5 97.69(11) . 6_554 ?
O5 Co1 O1 87.07(10) 4_455 . ?
O5 Co1 O2 92.41(9) 4_455 4_455 ?
O5 Co1 N3 101.29(11) 4_455 . ?
O5 Co1 N5 93.48(11) 4_455 6_554 ?
N3 Co1 O1 169.67(10) . . ?
N3 Co1 O2 83.64(10) . 4_455 ?
N3 Co1 N5 95.62(11) . 6_554 ?
N5 Co1 O1 89.84(11) 6_554 . ?
N5 Co1 O2 174.09(10) 6_554 4_455 ?
O3 Co2 O6 162.78(10) . . ?
O3 Co2 O4 92.51(10) . . ?
O3 Co2 O2 78.66(9) . 4_455 ?
O3 Co2 N4 88.32(10) . . ?
O3 Co2 N1 98.67(11) . 2_554 ?
O6 Co2 O2 85.73(10) . 4_455 ?
O6 Co2 N1 97.01(11) . 2_554 ?
O4 Co2 O6 80.45(11) . . ?
O4 Co2 O2 91.01(10) . 4_455 ?
O4 Co2 N4 176.35(11) . . ?
O4 Co2 N1 89.80(12) . 2_554 ?
N4 Co2 O6 97.77(11) . . ?
N4 Co2 O2 85.67(10) . 4_455 ?
N4 Co2 N1 93.59(11) . 2_554 ?
N1 Co2 O2 177.24(10) 2_554 4_455 ?
C1 O1 Co1 113.8(2) . . ?
Co1 O3 Co2 102.01(11) . . ?
C2 O3 Co1 113.96(19) . . ?
C2 O3 Co2 125.2(2) . . ?
C16 C12 C13 117.1(3) . . ?
C16 C12 C11 121.3(3) . . ?
C13 C12 C11 121.5(3) . . ?
Co2 O6 H6A 111.6 . . ?
Co2 O6 H6B 110.8 . . ?
H6A O6 H6B 102.5 . . ?
C12 C16 H16 120.3 . . ?
C12 C16 C15 119.4(3) . . ?
C15 C16 H16 120.3 . . ?
C13 C14 H14 118.3 . . ?
N1 C14 H14 118.3 . . ?
N1 C14 C13 123.4(3) . . ?
C4 O4 Co2 122.2(2) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.5(4) . . ?
C14 C13 H13 120.2 . . ?
C16 C15 H15 118.0 . . ?
N1 C15 C16 123.9(3) . . ?
N1 C15 H15 118.0 . . ?
O3 C2 H2 106.6 . . ?
O3 C2 C3 113.5(3) . . ?
O3 C2 C1 110.5(3) . . ?
C3 C2 H2 106.6 . . ?
C3 C2 C1 112.6(3) . . ?
C1 C2 H2 106.6 . . ?
C2 C3 H3A 109.1 . . ?
C2 C3 H3B 109.1 . . ?
H3A C3 H3B 107.8 . . ?
C4 C3 C2 112.6(3) . . ?
C4 C3 H3A 109.1 . . ?
C4 C3 H3B 109.1 . . ?
O4 C4 C3 118.9(3) . . ?
O4 C4 O5 121.9(3) . . ?
O5 C4 C3 119.2(3) . . ?
Co2 O2 Co1 84.57(8) 4_454 4_454 ?
C1 O2 Co1 130.0(2) . 4_454 ?
C1 O2 Co2 127.4(2) . 4_454 ?
C4 O5 Co1 128.6(2) . 4_454 ?
O1 C1 C2 115.5(3) . . ?
O2 C1 O1 124.0(3) . . ?
O2 C1 C2 120.5(3) . . ?
C10 N2 C11 102.3(3) . . ?
N2 C11 C12 123.3(3) . . ?
N3 C11 C12 123.8(3) . . ?
N3 C11 N2 112.8(3) . . ?
C11 N3 Co1 136.7(2) . . ?
C11 N3 N4 106.3(3) . . ?
N4 N3 Co1 113.8(2) . . ?
N3 N4 Co2 114.9(2) . . ?
C10 N4 Co2 138.4(2) . . ?
C10 N4 N3 105.3(3) . . ?
N2 C10 N4 113.2(3) . . ?
N2 C10 C9 123.2(3) . . ?
N4 C10 C9 123.5(3) . . ?
C5 C9 C10 120.1(3) . . ?
C8 C9 C10 122.5(3) . . ?
C8 C9 C5 117.2(3) . . ?
C9 C5 H5 120.1 . . ?
C6 C5 C9 119.7(3) . . ?
C6 C5 H5 120.1 . . ?
C9 C8 H8 120.5 . . ?
C9 C8 C7 119.1(4) . . ?
C7 C8 H8 120.5 . . ?
C5 C6 H6 118.4 . . ?
N5 C6 C5 123.3(3) . . ?
N5 C6 H6 118.4 . . ?
C8 C7 H7 118.2 . . ?
N5 C7 C8 123.7(4) . . ?
N5 C7 H7 118.2 . . ?
C6 N5 Co1 119.2(2) . 2 ?
C7 N5 Co1 123.8(2) . 2 ?
C7 N5 C6 117.0(3) . . ?
C14 N1 Co2 120.7(2) . 6 ?
C15 N1 Co2 122.7(2) . 6 ?
C15 N1 C14 116.5(3) . . ?
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 O1 2.116(2) . ?
Co1 O3 2.003(2) . ?
Co1 O2 2.370(2) 4_455 ?
Co1 O5 2.014(2) 4_455 ?
Co1 N3 2.112(3) . ?
Co1 N5 2.113(3) 6_554 ?
Co2 O3 2.014(2) . ?
Co2 O6 2.134(3) . ?
Co2 O4 2.099(3) . ?
Co2 O2 2.269(2) 4_455 ?
Co2 N4 2.128(3) . ?
Co2 N1 2.135(3) 2_554 ?
O1 C1 1.258(4) . ?
O3 C2 1.408(4) . ?
C12 C16 1.367(5) . ?
C12 C13 1.384(5) . ?
C12 C11 1.477(4) . ?
O6 H6A 0.8830 . ?
O6 H6B 0.8824 . ?
C16 H16 0.9300 . ?
C16 C15 1.382(5) . ?
C14 H14 0.9300 . ?
C14 C13 1.380(5) . ?
C14 N1 1.326(5) . ?
O4 C4 1.242(5) . ?
C13 H13 0.9300 . ?
C15 H15 0.9300 . ?
C15 N1 1.324(4) . ?
C2 H2 0.9800 . ?
C2 C3 1.519(5) . ?
C2 C1 1.546(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.510(5) . ?
C4 O5 1.258(4) . ?
O2 Co1 2.370(2) 4_454 ?
O2 Co2 2.269(2) 4_454 ?
O2 C1 1.258(4) . ?
O5 Co1 2.014(2) 4_454 ?
N2 C11 1.355(4) . ?
N2 C10 1.342(4) . ?
C11 N3 1.331(4) . ?
N3 N4 1.371(4) . ?
N4 C10 1.345(4) . ?
C10 C9 1.481(4) . ?
C9 C5 1.383(5) . ?
C9 C8 1.370(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.367(5) . ?
C8 H8 0.9300 . ?
C8 C7 1.379(5) . ?
C6 H6 0.9300 . ?
C6 N5 1.323(4) . ?
C7 H7 0.9300 . ?
C7 N5 1.322(5) . ?
N5 Co1 2.113(3) 2 ?
N1 Co2 2.135(3) 6 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 O1 C1 C2 -18.9(4) . . . . ?
Co1 O1 C1 O2 163.8(3) . . . . ?
Co1 O3 C2 C3 -150.6(2) . . . . ?
Co1 O3 C2 C1 -23.0(3) . . . . ?
Co1 O2 C1 O1 -114.8(3) 4_454 . . . ?
Co1 O2 C1 C2 68.1(4) 4_454 . . . ?
Co1 N3 N4 Co2 -5.0(3) . . . . ?
Co1 N3 N4 C10 164.1(2) . . . . ?
Co2 O3 C2 C3 -24.3(4) . . . . ?
Co2 O3 C2 C1 103.3(3) . . . . ?
Co2 O4 C4 C3 33.8(4) . . . . ?
Co2 O4 C4 O5 -147.6(3) . . . . ?
Co2 O2 C1 O1 4.3(5) 4_454 . . . ?
Co2 O2 C1 C2 -172.8(2) 4_454 . . . ?
Co2 N4 C10 N2 163.0(3) . . . . ?
Co2 N4 C10 C9 -19.2(6) . . . . ?
O3 C2 C3 C4 62.7(4) . . . . ?
O3 C2 C1 O1 28.1(4) . . . . ?
O3 C2 C1 O2 -154.5(3) . . . . ?
C12 C16 C15 N1 0.4(7) . . . . ?
C12 C11 N3 Co1 25.8(6) . . . . ?
C12 C11 N3 N4 -176.7(3) . . . . ?
C16 C12 C13 C14 -0.5(7) . . . . ?
C16 C12 C11 N2 -134.2(4) . . . . ?
C16 C12 C11 N3 42.9(6) . . . . ?
C16 C15 N1 Co2 178.7(4) . . . 6 ?
C16 C15 N1 C14 -0.2(7) . . . . ?
O4 C4 O5 Co1 132.3(3) . . . 4_454 ?
C13 C12 C16 C15 0.0(7) . . . . ?
C13 C12 C11 N2 44.5(6) . . . . ?
C13 C12 C11 N3 -138.4(4) . . . . ?
C13 C14 N1 Co2 -179.3(4) . . . 6 ?
C13 C14 N1 C15 -0.4(7) . . . . ?
C2 C3 C4 O4 -71.3(4) . . . . ?
C2 C3 C4 O5 110.1(4) . . . . ?
C3 C2 C1 O1 156.2(3) . . . . ?
C3 C2 C1 O2 -26.4(4) . . . . ?
C3 C4 O5 Co1 -49.1(4) . . . 4_454 ?
C1 C2 C3 C4 -63.8(4) . . . . ?
N2 C11 N3 Co1 -156.8(3) . . . . ?
N2 C11 N3 N4 0.6(4) . . . . ?
N2 C10 C9 C5 138.0(4) . . . . ?
N2 C10 C9 C8 -38.2(6) . . . . ?
C11 C12 C16 C15 178.7(4) . . . . ?
C11 C12 C13 C14 -179.3(4) . . . . ?
C11 N2 C10 N4 2.3(4) . . . . ?
C11 N2 C10 C9 -175.5(3) . . . . ?
C11 N3 N4 Co2 -168.3(2) . . . . ?
C11 N3 N4 C10 0.8(4) . . . . ?
N3 N4 C10 N2 -2.1(4) . . . . ?
N3 N4 C10 C9 175.8(3) . . . . ?
N4 C10 C9 C5 -39.7(5) . . . . ?
N4 C10 C9 C8 144.2(4) . . . . ?
C10 N2 C11 C12 175.6(3) . . . . ?
C10 N2 C11 N3 -1.8(4) . . . . ?
C10 C9 C5 C6 -175.9(4) . . . . ?
C10 C9 C8 C7 177.4(4) . . . . ?
C9 C5 C6 N5 -0.8(7) . . . . ?
C9 C8 C7 N5 -2.6(8) . . . . ?
C5 C9 C8 C7 1.1(7) . . . . ?
C5 C6 N5 Co1 -180.0(3) . . . 2 ?
C5 C6 N5 C7 -0.5(6) . . . . ?
C8 C9 C5 C6 0.5(6) . . . . ?
C8 C7 N5 Co1 -178.3(4) . . . 2 ?
C8 C7 N5 C6 2.2(7) . . . . ?
N1 C14 C13 C12 0.8(8) . . . . ?
