#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/82/2238279.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2238279
loop_
_publ_author_name
'Li, Rui-Qin'
'Wang, Xiao-Juan'
'Feng, Yun-Long'
_publ_section_title
;
 Poly[[diaquatris(μ₂-4,4'-bipyridine)bis[μ₂-2-(carboxylatomethylsulfanyl)nicotinato]dicobalt(II)]
 1.3-hydrate]
;
_journal_coeditor_code           WM2744
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m371
_journal_paper_doi               10.1107/S1600536813015262
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac
'[Co2 (C8 H5 N O4 S)2 (C10 H8 N2)3 (H2 O)2], 1.3H2 O'
_chemical_formula_moiety         'C46 H38 Co2 N8 O10 S2, 1.3(H2 O)'
_chemical_formula_sum            'C46 H40.6 Co2 N8 O11.3 S2'
_chemical_formula_weight         1068.26
_chemical_name_systematic
'Poly[[diaquatris(μ₂-4,4'-bipyridine)bis[μ₂-2-(carboxylatomethylsulfanyl)nicotinato]dicobalt(II)] 1.3-hydrate]'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 125.4840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.22110(10)
_cell_length_b                   17.1355(2)
_cell_length_c                   16.4142(2)
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      1.93
_cell_volume                     2340.92(5)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '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  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0152
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38093
_diffrn_reflns_theta_full        27.61
_diffrn_reflns_theta_max         27.61
_diffrn_reflns_theta_min         1.93
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  0.912
_exptl_absorpt_correction_T_min  0.814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2006)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1092.9
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.197
_exptl_crystal_size_min          0.106
_refine_diff_density_max         0.676
_refine_diff_density_min         -0.525
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         5439
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_gt           0.0325
_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)+(0.0477P)²+1.3453P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0883
_refine_ls_wR_factor_ref         0.0932
_reflns_number_gt                4772
_reflns_number_total             5439
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            wm2744.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2238279
_cod_database_fobs_code          2238279
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Co Co1 0.22673(3) -0.467750(13) 0.253178(16) 0.02436(8) Uani d . 1 1
S S1 -0.26808(6) -0.54790(4) 0.03145(4) 0.04356(14) Uani d . 1 1
N N1 -0.3385(2) -0.68541(12) -0.05863(14) 0.0512(5) Uani d . 1 1
N N2 0.04982(18) -0.38323(9) 0.15601(11) 0.0316(3) Uani d . 1 1
N N3 -0.60092(18) -0.12730(9) -0.15781(11) 0.0317(3) Uani d . 1 1
N N4 0.14149(18) -0.47934(10) 0.34767(11) 0.0324(3) Uani d . 1 1
O O1 0.06128(15) -0.55683(8) 0.16874(10) 0.0366(3) Uani d . 1 1
O O2 0.20011(18) -0.66643(9) 0.23590(11) 0.0506(4) Uani d . 1 1
O O3 -0.54191(18) -0.48099(12) -0.24881(12) 0.0595(5) Uani d . 1 1
O O4 -0.29489(15) -0.53055(8) -0.15622(10) 0.0327(3) Uani d . 1 1
O O1W 0.41017(15) -0.55208(8) 0.34497(9) 0.0344(3) Uani d D 1 1
H H1WB 0.3686 -0.5973 0.3268 0.041 Uiso d RD 1 1
H H1WA 0.4812 -0.5482 0.3336 0.041 Uiso d RD 1 1
O O2W 0.3056(6) -0.8235(3) 0.2968(4) 0.0716(13) Uiso d P 0.40 1
O O3W -0.7292(11) -0.3553(6) -0.2320(7) 0.082(2) Uiso d P 0.25 1
C C1 -0.0421(3) -0.75259(13) 0.07695(19) 0.0537(6) Uani d . 1 1
H H1A 0.0564 -0.7762 0.1229 0.064 Uiso calc R 1 1
C C2 -0.1648(4) -0.79492(14) -0.0044(2) 0.0737(9) Uani d . 1 1
H H2A -0.1496 -0.8467 -0.0141 0.088 Uiso calc R 1 1
C C3 -0.3083(4) -0.75831(15) -0.0694(2) 0.0661(8) Uani d . 1 1
H H3A -0.3895 -0.7863 -0.1245 0.079 Uiso calc R 1 1
C C4 -0.2204(2) -0.64420(12) 0.01904(13) 0.0350(4) Uani d . 1 1
C C5 -0.0664(2) -0.67566(11) 0.08956(14) 0.0345(4) Uani d . 1 1
C C6 0.0760(2) -0.62946(11) 0.17223(13) 0.0314(4) Uani d . 1 1
C C7 -0.4499(3) -0.52819(15) -0.09011(16) 0.0474(5) Uani d . 1 1
H H7A -0.5211 -0.5727 -0.1103 0.057 Uiso calc R 1 1
H H7B -0.5031 -0.4837 -0.0847 0.057 Uiso calc R 1 1
C C8 -0.4259(2) -0.51158(12) -0.17142(14) 0.0347(4) Uani d . 1 1
C C9 -0.1027(3) -0.26859(15) 0.12914(17) 0.0637(8) Uani d . 1 1
H H9A -0.1169 -0.2245 0.1563 0.076 Uiso calc R 1 1
C C10 0.0229(3) -0.31873(14) 0.18932(16) 0.0563(7) Uani d . 1 1
H H10A 0.0930 -0.3069 0.2570 0.068 Uiso calc R 1 1
C C11 -0.0478(2) -0.39688(11) 0.05773(13) 0.0334(4) Uani d . 1 1
H H11A -0.0282 -0.4403 0.0323 0.040 Uiso calc R 1 1
C C12 -0.1767(2) -0.34941(11) -0.00793(13) 0.0346(4) Uani d . 1 1
H H12A -0.2421 -0.3614 -0.0758 0.042 Uiso calc R 1 1
C C13 -0.2083(2) -0.28423(11) 0.02741(14) 0.0369(4) Uani d . 1 1
C C14 -0.4239(3) -0.19437(14) -0.00281(15) 0.0474(5) Uani d . 1 1
H H14A -0.3913 -0.2030 0.0624 0.057 Uiso calc R 1 1
C C15 -0.3472(2) -0.23228(11) -0.03857(14) 0.0359(4) Uani d . 1 1
C C16 -0.5485(2) -0.14378(13) -0.06392(14) 0.0421(5) Uani d . 1 1
H H16A -0.5990 -0.1197 -0.0383 0.051 Uiso calc R 1 1
C C17 -0.5296(3) -0.16573(12) -0.19305(15) 0.0422(5) Uani d . 1 1
H H17A -0.5660 -0.1568 -0.2590 0.051 Uiso calc R 1 1
C C18 -0.4046(3) -0.21800(12) -0.13694(15) 0.0439(5) Uani d . 1 1
H H18A -0.3595 -0.2434 -0.1652 0.053 Uiso calc R 1 1
C C19 -0.0124(3) -0.46731(18) 0.31159(16) 0.0580(7) Uani d . 1 1
H H19A -0.0828 -0.4523 0.2450 0.070 Uiso calc R 1 1
C C20 -0.0725(2) -0.47589(19) 0.36765(16) 0.0623(8) Uani d . 1 1
H H20A -0.1810 -0.4673 0.3384 0.075 Uiso calc R 1 1
C C21 0.1870(2) -0.51257(11) 0.50404(14) 0.0342(4) Uani d . 1 1
H H21A 0.2596 -0.5290 0.5698 0.041 Uiso calc R 1 1
C C22 0.2363(2) -0.50319(11) 0.44222(14) 0.0334(4) Uani d . 1 1
H H22A 0.3429 -0.5143 0.4684 0.040 Uiso calc R 1 1
C C23 0.0286(2) -0.49728(11) 0.46761(13) 0.0319(4) Uani d . 1 1
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'
S S 0.1246 0.1234 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O4 Co1 O1 3_545 . 89.07(5)
O4 Co1 N2 3_545 . 87.27(5)
O1 Co1 N2 . . 89.52(6)
O4 Co1 O1W 3_545 . 89.06(5)
O1 Co1 O1W . . 90.84(5)
N2 Co1 O1W . . 176.31(5)
O4 Co1 N4 3_545 . 173.20(6)
O1 Co1 N4 . . 84.38(6)
N2 Co1 N4 . . 94.48(6)
O1W Co1 N4 . . 89.21(5)
O4 Co1 N3 3_545 4_656 91.36(5)
O1 Co1 N3 . 4_656 179.27(6)
N2 Co1 N3 . 4_656 89.91(6)
O1W Co1 N3 . 4_656 89.76(6)
N4 Co1 N3 . 4_656 95.21(6)
C4 S1 C7 . . 102.94(11)
C3 N1 C4 . . 118.3(2)
C10 N2 C11 . . 117.00(16)
C10 N2 Co1 . . 122.93(13)
C11 N2 Co1 . . 119.88(12)
C16 N3 C17 . . 116.14(16)
C16 N3 Co1 . 4_455 123.35(12)
C17 N3 Co1 . 4_455 120.09(12)
C22 N4 C19 . . 115.95(16)
C22 N4 Co1 . . 122.38(12)
C19 N4 Co1 . . 121.55(13)
C6 O1 Co1 . . 131.70(12)
C8 O4 Co1 . 3_545 130.24(12)
Co1 O1W H1WB . . 108.2
Co1 O1W H1WA . . 107.6
H1WB O1W H1WA . . 108.2
C5 C1 C2 . . 120.1(2)
C5 C1 H1A . . 119.9
C2 C1 H1A . . 119.9
C3 C2 C1 . . 118.1(2)
C3 C2 H2A . . 121.0
C1 C2 H2A . . 121.0
N1 C3 C2 . . 123.9(2)
N1 C3 H3A . . 118.1
C2 C3 H3A . . 118.1
N1 C4 C5 . . 122.6(2)
N1 C4 S1 . . 116.49(16)
C5 C4 S1 . . 120.88(14)
C1 C5 C4 . . 117.00(19)
C1 C5 C6 . . 118.12(19)
C4 C5 C6 . . 124.70(17)
O2 C6 O1 . . 125.36(17)
O2 C6 C5 . . 117.72(17)
O1 C6 C5 . . 116.86(16)
C8 C7 S1 . . 114.81(14)
C8 C7 H7A . . 108.6
S1 C7 H7A . . 108.6
C8 C7 H7B . . 108.6
S1 C7 H7B . . 108.6
H7A C7 H7B . . 107.5
O3 C8 O4 . . 125.96(18)
O3 C8 C7 . . 115.63(17)
O4 C8 C7 . . 118.40(17)
C10 C9 C13 . . 119.52(19)
C10 C9 H9A . . 120.2
C13 C9 H9A . . 120.2
N2 C10 C9 . . 123.60(19)
N2 C10 H10A . . 118.2
C9 C10 H10A . . 118.2
N2 C11 C12 . . 122.98(16)
N2 C11 H11A . . 118.5
C12 C11 H11A . . 118.5
C13 C12 C11 . . 119.87(17)
C13 C12 H12A . . 120.1
C11 C12 H12A . . 120.1
C12 C13 C9 . . 116.92(17)
C12 C13 C15 . . 122.51(17)
C9 C13 C15 . . 120.57(17)
C16 C14 C15 . . 119.91(18)
C16 C14 H14A . . 120.0
C15 C14 H14A . . 120.0
C18 C15 C14 . . 116.83(17)
C18 C15 C13 . . 122.48(18)
C14 C15 C13 . . 120.68(18)
N3 C16 C14 . . 123.75(18)
N3 C16 H16A . . 118.1
C14 C16 H16A . . 118.1
N3 C17 C18 . . 123.70(18)
N3 C17 H17A . . 118.1
C18 C17 H17A . . 118.1
C15 C18 C17 . . 119.59(18)
C15 C18 H18A . . 120.2
C17 C18 H18A . . 120.2
N4 C19 C20 . . 123.60(19)
N4 C19 H19A . . 118.2
C20 C19 H19A . . 118.2
C19 C20 C23 . . 120.19(19)
C19 C20 H20A . . 119.9
C23 C20 H20A . . 119.9
C22 C21 C23 . . 119.62(17)
C22 C21 H21A . . 120.2
C23 C21 H21A . . 120.2
N4 C22 C21 . . 124.35(17)
N4 C22 H22A . . 117.8
C21 C22 H22A . . 117.8
C21 C23 C20 . . 116.18(17)
C21 C23 C23 . 3_546 121.7(2)
C20 C23 C23 . 3_546 122.1(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Co1 O4 3_545 2.0752(13)
Co1 O1 . 2.0951(13)
Co1 N2 . 2.1361(14)
Co1 O1W . 2.1434(13)
Co1 N4 . 2.1847(15)
Co1 N3 4_656 2.2141(15)
S1 C4 . 1.765(2)
S1 C7 . 1.801(2)
N1 C3 . 1.323(4)
N1 C4 . 1.340(3)
N2 C10 . 1.331(2)
N2 C11 . 1.336(2)
N3 C16 . 1.335(2)
N3 C17 . 1.338(2)
N3 Co1 4_455 2.2141(14)
N4 C22 . 1.330(2)
N4 C19 . 1.336(3)
O1 C6 . 1.251(2)
O2 C6 . 1.251(2)
O3 C8 . 1.243(2)
O4 C8 . 1.254(2)
O4 Co1 3_545 2.0752(13)
O1W H1WB . 0.8500
O1W H1WA . 0.8500
C1 C5 . 1.379(3)
C1 C2 . 1.392(4)
C1 H1A . 0.9300
C2 C3 . 1.366(4)
C2 H2A . 0.9300
C3 H3A . 0.9300
C4 C5 . 1.412(3)
C5 C6 . 1.514(3)
C7 C8 . 1.518(3)
C7 H7A . 0.9700
C7 H7B . 0.9700
C9 C10 . 1.375(3)
C9 C13 . 1.390(3)
C9 H9A . 0.9300
C10 H10A . 0.9300
C11 C12 . 1.382(2)
C11 H11A . 0.9300
C12 C13 . 1.380(3)
C12 H12A . 0.9300
C13 C15 . 1.482(3)
C14 C16 . 1.377(3)
C14 C15 . 1.384(3)
C14 H14A . 0.9300
C15 C18 . 1.382(3)
C16 H16A . 0.9300
C17 C18 . 1.384(3)
C17 H17A . 0.9300
C18 H18A . 0.9300
C19 C20 . 1.379(3)
C19 H19A . 0.9300
C20 C23 . 1.388(3)
C20 H20A . 0.9300
C21 C22 . 1.379(2)
C21 C23 . 1.387(2)
C21 H21A . 0.9300
C22 H22A . 0.9300
C23 C23 3_546 1.484(3)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1W H1WA O3 3_545 0.85 1.89 2.663(2) 150.3
O1W H1WB O2 . 0.85 1.90 2.682(2) 152.2
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O4 Co1 N2 C10 3_545 . -135.1(2)
O1 Co1 N2 C10 . . 135.8(2)
N4 Co1 N2 C10 . . 51.5(2)
N3 Co1 N2 C10 4_656 . -43.7(2)
O4 Co1 N2 C11 3_545 . 49.97(15)
O1 Co1 N2 C11 . . -39.12(15)
O1W Co1 N2 C11 . . 56.5(9)
N4 Co1 N2 C11 . . -123.44(15)
N3 Co1 N2 C11 4_656 . 141.34(15)
O4 Co1 N4 C22 3_545 . 99.9(4)
O1 Co1 N4 C22 . . 115.53(15)
N2 Co1 N4 C22 . . -155.40(15)
O1W Co1 N4 C22 . . 24.61(15)
N3 Co1 N4 C22 4_656 . -65.08(16)
O4 Co1 N4 C19 3_545 . -76.0(5)
O1 Co1 N4 C19 . . -60.33(19)
N2 Co1 N4 C19 . . 28.75(19)
O1W Co1 N4 C19 . . -151.25(19)
N3 Co1 N4 C19 4_656 . 119.06(19)
O4 Co1 O1 C6 3_545 . 85.94(17)
N2 Co1 O1 C6 . . 173.22(17)
O1W Co1 O1 C6 . . -3.11(17)
N4 Co1 O1 C6 . . -92.23(17)
N3 Co1 O1 C6 4_656 . -148(4)
C5 C1 C2 C3 . . -0.8(4)
C4 N1 C3 C2 . . 1.9(4)
C1 C2 C3 N1 . . -1.3(5)
C3 N1 C4 C5 . . -0.4(3)
C3 N1 C4 S1 . . -178.79(19)
C7 S1 C4 N1 . . -16.68(17)
C7 S1 C4 C5 . . 164.86(15)
C2 C1 C5 C4 . . 2.1(3)
C2 C1 C5 C6 . . -173.2(2)
N1 C4 C5 C1 . . -1.6(3)
S1 C4 C5 C1 . . 176.78(16)
N1 C4 C5 C6 . . 173.38(18)
S1 C4 C5 C6 . . -8.3(3)
Co1 O1 C6 O2 . . 4.9(3)
Co1 O1 C6 C5 . . -172.18(12)
C1 C5 C6 O2 . . -12.7(3)
C4 C5 C6 O2 . . 172.36(18)
C1 C5 C6 O1 . . 164.59(19)
C4 C5 C6 O1 . . -10.3(3)
C4 S1 C7 C8 . . -75.84(19)
Co1 O4 C8 O3 3_545 . -8.2(3)
Co1 O4 C8 C7 3_545 . 170.55(14)
S1 C7 C8 O3 . . -164.40(18)
S1 C7 C8 O4 . . 16.8(3)
C11 N2 C10 C9 . . 3.2(4)
Co1 N2 C10 C9 . . -171.9(2)
C13 C9 C10 N2 . . -0.7(5)
C10 N2 C11 C12 . . -3.0(3)
Co1 N2 C11 C12 . . 172.19(15)
N2 C11 C12 C13 . . 0.5(3)
C11 C12 C13 C9 . . 2.0(3)
C11 C12 C13 C15 . . -178.22(19)
C10 C9 C13 C12 . . -1.9(4)
C10 C9 C13 C15 . . 178.3(3)
C16 C14 C15 C18 . . -1.5(3)
C16 C14 C15 C13 . . 177.3(2)
C12 C13 C15 C18 . . -33.7(3)
C9 C13 C15 C18 . . 146.1(3)
C12 C13 C15 C14 . . 147.5(2)
C9 C13 C15 C14 . . -32.7(3)
C17 N3 C16 C14 . . 2.8(3)
Co1 N3 C16 C14 4_455 . -169.71(18)
C15 C14 C16 N3 . . -1.0(4)
C16 N3 C17 C18 . . -2.2(3)
Co1 N3 C17 C18 4_455 . 170.62(18)
C14 C15 C18 C17 . . 2.1(3)
C13 C15 C18 C17 . . -176.7(2)
N3 C17 C18 C15 . . -0.3(4)
C22 N4 C19 C20 . . 2.2(4)
Co1 N4 C19 C20 . . 178.3(2)
N4 C19 C20 C23 . . 0.8(5)
C19 N4 C22 C21 . . -2.8(3)
Co1 N4 C22 C21 . . -178.90(15)
C23 C21 C22 N4 . . 0.6(3)
C22 C21 C23 C20 . . 2.4(3)
C22 C21 C23 C23 . 3_546 -177.0(2)
C19 C20 C23 C21 . . -3.0(4)
C19 C20 C23 C23 . 3_546 176.3(3)
