#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:32:20 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179534 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/03/4500387.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_4500387
loop_
_publ_author_name
'Li, Guo-Bi'
'Liu, Jun-Min'
'Cai, Yue-Peng'
'Su, Cheng-Yong'
_publ_section_title
;
 Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes
 with Pyridine Donor Diimide Ligands
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2763
_journal_paper_doi               10.1021/cg1014913
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C54 H32 Co N10 O17 S2'
_chemical_formula_weight         1215.95
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 104.672(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.6844(12)
_cell_length_b                   13.5805(6)
_cell_length_c                   15.5499(6)
_cell_measurement_reflns_used    4237
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.7122
_cell_measurement_theta_min      2.6965
_cell_volume                     5859.9(4)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Oxfor Germini Sl Ultra'
_diffrn_measurement_method       'ω and π scan'
_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  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0652
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11350
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.71
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.441
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85172
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker 1997)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2484
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         4.059
_refine_diff_density_min         -0.681
_refine_diff_density_rms         0.192
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         5528
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.1504
_refine_ls_R_factor_gt           0.1152
_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)+(0.2900P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3494
_refine_ls_wR_factor_ref         0.3837
_reflns_number_gt                3616
_reflns_number_total             5528
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg1014913_si_001.cif
_cod_data_source_block           9
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4500387
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.0000 0.76841(9) 0.2500 0.0283(4) Uani 1 2 d S
C9 C 0.2224(2) 0.5274(5) 0.7358(4) 0.0270(13) Uani 1 1 d .
C15 C 0.2669(2) 0.5502(5) 0.7955(4) 0.0289(13) Uani 1 1 d .
C16 C 0.3099(2) 0.5125(5) 0.7786(4) 0.0353(15) Uani 1 1 d .
C10 C 0.2216(2) 0.4721(5) 0.6595(4) 0.0324(14) Uani 1 1 d .
C19 C 0.3147(2) 0.6275(5) 0.9364(4) 0.0322(14) Uani 1 1 d .
C14 C 0.2677(2) 0.6091(4) 0.8715(4) 0.0280(13) Uani 1 1 d .
C11 C 0.1748(3) 0.4486(5) 0.5962(4) 0.0378(16) Uani 1 1 d .
C8 C 0.1801(2) 0.5660(5) 0.7535(4) 0.0315(14) Uani 1 1 d .
C7 C 0.1323(2) 0.5383(5) 0.6939(4) 0.0326(15) Uani 1 1 d .
C12 C 0.1818(2) 0.6232(5) 0.8258(4) 0.0365(15) Uani 1 1 d .
H12A H 0.1534 0.6478 0.8362 0.044 Uiso 1 1 calc R
C20 C 0.3569(2) 0.5321(5) 0.8417(4) 0.0350(15) Uani 1 1 d .
C3 C 0.0667(2) 0.5256(5) 0.4873(4) 0.0376(16) Uani 1 1 d .
C13 C 0.2270(2) 0.6453(5) 0.8859(4) 0.0349(15) Uani 1 1 d .
H13A H 0.2282 0.6850 0.9351 0.042 Uiso 1 1 calc R
C17 C 0.3083(3) 0.4551(6) 0.7038(5) 0.0419(17) Uani 1 1 d .
H17A H 0.3364 0.4304 0.6927 0.050 Uiso 1 1 calc R
C22 C 0.4240(2) 0.5316(5) 1.0374(4) 0.0316(14) Uani 1 1 d .
C26 C 0.4741(2) 0.5316(5) 1.0804(4) 0.0345(15) Uani 1 1 d .
H26A H 0.4941 0.5814 1.0696 0.041 Uiso 1 1 calc R
C27 C 0.1046(3) 0.7457(5) 0.2225(4) 0.0342(15) Uani 1 1 d .
C24 C 0.4192(2) 0.3811(5) 1.1156(5) 0.0399(17) Uani 1 1 d .
H24A H 0.4003 0.3298 1.1276 0.048 Uiso 1 1 calc R
C18 C 0.2632(3) 0.4352(6) 0.6452(5) 0.0426(17) Uani 1 1 d .
H18A H 0.2617 0.3959 0.5956 0.051 Uiso 1 1 calc R
C1 C 0.0236(2) 0.6717(5) 0.4334(4) 0.0344(15) Uani 1 1 d .
H1A H 0.0066 0.7266 0.4446 0.041 Uiso 1 1 calc R
C21 C 0.4035(3) 0.6124(5) 0.9760(5) 0.0406(17) Uani 1 1 d .
H21A H 0.4003 0.6704 1.0105 0.049 Uiso 1 1 calc R
H21B H 0.4258 0.6283 0.9404 0.049 Uiso 1 1 calc R
C25 C 0.4921(2) 0.4566(5) 1.1380(4) 0.0329(15) Uani 1 1 d .
H25A H 0.5247 0.4584 1.1664 0.040 Uiso 1 1 calc R
C2 C 0.0408(2) 0.6068(6) 0.5016(4) 0.0385(16) Uani 1 1 d .
H2A H 0.0351 0.6175 0.5571 0.046 Uiso 1 1 calc R
C23 C 0.3976(2) 0.4531(5) 1.0573(5) 0.0381(16) Uani 1 1 d .
H23A H 0.3647 0.4492 1.0305 0.046 Uiso 1 1 calc R
C4 C 0.0736(3) 0.5136(5) 0.4027(5) 0.0413(17) Uani 1 1 d .
H4A H 0.0915 0.4609 0.3901 0.050 Uiso 1 1 calc R
C6 C 0.0861(3) 0.4510(5) 0.5607(4) 0.0399(17) Uani 1 1 d .
H6A H 0.0631 0.4426 0.5963 0.048 Uiso 1 1 calc R
H6B H 0.0903 0.3879 0.5344 0.048 Uiso 1 1 calc R
C5 C 0.0533(3) 0.5820(6) 0.3376(4) 0.0423(17) Uani 1 1 d .
H5A H 0.0567 0.5712 0.2803 0.051 Uiso 1 1 calc R
O2 O 0.31772(18) 0.6719(4) 1.0054(3) 0.0417(12) Uani 1 1 d .
O1 O 0.39400(16) 0.5000(4) 0.8324(4) 0.0478(13) Uani 1 1 d .
O4 O 0.09454(16) 0.5631(4) 0.7077(3) 0.0449(13) Uani 1 1 d .
O3 O 0.17113(19) 0.4047(4) 0.5275(4) 0.0524(14) Uani 1 1 d .
N1 N 0.02992(18) 0.6604(4) 0.3513(3) 0.0312(12) Uani 1 1 d .
N2 N 0.46678(18) 0.3815(4) 1.1565(4) 0.0331(13) Uani 1 1 d .
N3 N 0.35624(19) 0.5894(4) 0.9161(3) 0.0329(13) Uani 1 1 d .
N4 N 0.13326(19) 0.4844(4) 0.6187(4) 0.0354(13) Uani 1 1 d .
N5 N 0.06358(19) 0.7622(4) 0.2049(4) 0.0326(12) Uani 1 1 d .
S1 S 0.16228(6) 0.72497(13) 0.24765(14) 0.0422(6) Uani 1 1 d .
O2W O 0.56150(17) 0.6819(4) 1.2272(4) 0.0480(14) Uani 1 1 d .
O3W O 0.2566(4) 0.3622(5) 0.9862(7) 0.125(4) Uani 1 1 d .
O5W O 0.3347(6) 0.1960(15) 0.9881(12) 0.092(5) Uiso 0.50 1 d P
O4W O 0.5283(2) 0.7815(4) 1.3552(4) 0.0528(14) Uiso 1 1 d .
O1W O 0.2876(7) 0.2807(12) 0.8417(14) 0.186(6) 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 0.0033 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'
S S 0.1246 0.1234 '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
N5 Co1 N5 175.4(3) . 2
N5 Co1 N2 88.9(2) . 4_556
N5 Co1 N2 94.3(2) 2 4_556
N5 Co1 N2 94.3(2) . 3_454
N5 Co1 N2 88.9(2) 2 3_454
N2 Co1 N2 89.5(3) 4_556 3_454
N5 Co1 N1 87.0(2) . 2
N5 Co1 N1 89.9(2) 2 2
N2 Co1 N1 175.1(2) 4_556 2
N2 Co1 N1 88.1(2) 3_454 2
N5 Co1 N1 89.9(2) . .
N5 Co1 N1 87.0(2) 2 .
N2 Co1 N1 88.1(2) 4_556 .
N2 Co1 N1 175.1(2) 3_454 .
N1 Co1 N1 94.6(3) 2 .
C8 C9 C10 122.4(5) . .
C8 C9 C15 118.0(5) . .
C10 C9 C15 119.6(6) . .
C14 C15 C16 121.7(6) . .
C14 C15 C9 119.4(6) . .
C16 C15 C9 118.8(6) . .
C17 C16 C15 120.7(6) . .
C17 C16 C20 119.2(6) . .
C15 C16 C20 120.1(6) . .
C18 C10 C9 120.6(6) . .
C18 C10 C11 119.7(6) . .
C9 C10 C11 119.6(6) . .
O2 C19 N3 120.5(6) . .
O2 C19 C14 122.1(6) . .
N3 C19 C14 117.4(5) . .
C13 C14 C15 121.0(6) . .
C13 C14 C19 120.4(6) . .
C15 C14 C19 118.6(6) . .
O3 C11 N4 120.2(6) . .
O3 C11 C10 123.7(7) . .
N4 C11 C10 116.1(6) . .
C12 C8 C9 121.6(6) . .
C12 C8 C7 119.4(6) . .
C9 C8 C7 118.9(6) . .
O4 C7 N4 120.5(6) . .
O4 C7 C8 123.0(6) . .
N4 C7 C8 116.4(6) . .
C8 C12 C13 119.8(6) . .
C8 C12 H12A 120.1 . .
C13 C12 H12A 120.1 . .
O1 C20 N3 120.2(6) . .
O1 C20 C16 123.1(7) . .
N3 C20 C16 116.7(6) . .
C2 C3 C4 117.4(6) . .
C2 C3 C6 121.4(7) . .
C4 C3 C6 121.2(7) . .
C14 C13 C12 120.1(6) . .
C14 C13 H13A 119.9 . .
C12 C13 H13A 119.9 . .
C16 C17 C18 118.6(7) . .
C16 C17 H17A 120.7 . .
C18 C17 H17A 120.7 . .
C23 C22 C26 116.0(6) . .
C23 C22 C21 124.5(6) . .
C26 C22 C21 119.5(6) . .
C25 C26 C22 118.4(6) . .
C25 C26 H26A 120.8 . .
C22 C26 H26A 120.8 . .
N5 C27 S1 178.8(6) . .
N2 C24 C23 122.8(6) . .
N2 C24 H24A 118.6 . .
C23 C24 H24A 118.6 . .
C10 C18 C17 121.5(7) . .
C10 C18 H18A 119.2 . .
C17 C18 H18A 119.2 . .
N1 C1 C2 123.6(6) . .
N1 C1 H1A 118.2 . .
C2 C1 H1A 118.2 . .
N3 C21 C22 113.8(6) . .
N3 C21 H21A 108.8 . .
C22 C21 H21A 108.8 . .
N3 C21 H21B 108.8 . .
C22 C21 H21B 108.8 . .
H21A C21 H21B 107.7 . .
N2 C25 C26 125.4(5) . .
N2 C25 H25A 117.3 . .
C26 C25 H25A 117.3 . .
C3 C2 C1 119.4(6) . .
C3 C2 H2A 120.3 . .
C1 C2 H2A 120.3 . .
C24 C23 C22 121.0(6) . .
C24 C23 H23A 119.5 . .
C22 C23 H23A 119.5 . .
C3 C4 C5 118.5(6) . .
C3 C4 H4A 120.7 . .
C5 C4 H4A 120.7 . .
N4 C6 C3 110.8(5) . .
N4 C6 H6A 109.5 . .
C3 C6 H6A 109.5 . .
N4 C6 H6B 109.5 . .
C3 C6 H6B 109.5 . .
H6A C6 H6B 108.1 . .
N1 C5 C4 124.3(6) . .
N1 C5 H5A 117.8 . .
C4 C5 H5A 117.8 . .
C5 N1 C1 116.6(6) . .
C5 N1 Co1 124.0(5) . .
C1 N1 Co1 119.3(4) . .
C25 N2 C24 116.3(5) . .
C25 N2 Co1 121.4(4) . 3_546
C24 N2 Co1 122.3(4) . 3_546
C19 N3 C20 125.5(5) . .
C19 N3 C21 118.5(6) . .
C20 N3 C21 116.1(6) . .
C7 N4 C11 126.2(5) . .
C7 N4 C6 117.5(6) . .
C11 N4 C6 115.9(6) . .
C27 N5 Co1 146.9(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N5 2.115(6) .
Co1 N5 2.115(6) 2
Co1 N2 2.163(5) 4_556
Co1 N2 2.163(5) 3_454
Co1 N1 2.164(5) 2
Co1 N1 2.164(5) .
C9 C8 1.411(9) .
C9 C10 1.399(9) .
C9 C15 1.411(8) .
C15 C14 1.422(9) .
C15 C16 1.419(9) .
C16 C17 1.392(10) .
C16 C20 1.476(9) .
C10 C18 1.363(10) .
C10 C11 1.485(9) .
C19 O2 1.215(8) .
C19 N3 1.406(9) .
C19 C14 1.487(8) .
C14 C13 1.336(10) .
C11 O3 1.205(9) .
C11 N4 1.410(9) .
C8 C12 1.358(9) .
C8 C7 1.496(8) .
C7 O4 1.204(8) .
C7 N4 1.385(9) .
C12 C13 1.426(9) .
C12 H12A 0.9300 .
C20 O1 1.193(8) .
C20 N3 1.398(9) .
C3 C2 1.378(11) .
C3 C4 1.389(11) .
C3 C6 1.523(9) .
C13 H13A 0.9300 .
C17 C18 1.407(10) .
C17 H17A 0.9300 .
C22 C23 1.386(10) .
C22 C26 1.424(9) .
C22 C21 1.476(9) .
C26 C25 1.368(9) .
C26 H26A 0.9300 .
C27 N5 1.159(9) .
C27 S1 1.627(8) .
C24 N2 1.353(8) .
C24 C23 1.371(9) .
C24 H24A 0.9300 .
C18 H18A 0.9300 .
C1 N1 1.343(9) .
C1 C2 1.372(9) .
C1 H1A 0.9300 .
C21 N3 1.471(8) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C25 N2 1.325(9) .
C25 H25A 0.9300 .
C2 H2A 0.9300 .
C23 H23A 0.9300 .
C4 C5 1.389(10) .
C4 H4A 0.9300 .
C6 N4 1.494(8) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C5 N1 1.305(9) .
C5 H5A 0.9300 .
N2 Co1 2.163(5) 3_546
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_4
C8 C9 C15 C14 1.2(9) . .
C10 C9 C15 C14 178.0(6) . .
C8 C9 C15 C16 -179.7(6) . .
C10 C9 C15 C16 -2.9(9) . .
C14 C15 C16 C17 -180.0(6) . .
C9 C15 C16 C17 0.9(10) . .
C14 C15 C16 C20 1.3(10) . .
C9 C15 C16 C20 -177.8(6) . .
C8 C9 C10 C18 -179.3(7) . .
C15 C9 C10 C18 4.0(10) . .
C8 C9 C10 C11 -3.0(9) . .
C15 C9 C10 C11 -179.6(6) . .
C16 C15 C14 C13 179.0(6) . .
C9 C15 C14 C13 -1.9(9) . .
C16 C15 C14 C19 -2.6(9) . .
C9 C15 C14 C19 176.5(5) . .
O2 C19 C14 C13 3.0(10) . .
N3 C19 C14 C13 -178.5(6) . .
O2 C19 C14 C15 -175.4(6) . .
N3 C19 C14 C15 3.1(9) . .
C18 C10 C11 O3 -6.5(11) . .
C9 C10 C11 O3 177.1(7) . .
C18 C10 C11 N4 176.1(6) . .
C9 C10 C11 N4 -0.2(9) . .
C10 C9 C8 C12 -177.0(6) . .
C15 C9 C8 C12 -0.2(9) . .
C10 C9 C8 C7 6.6(9) . .
C15 C9 C8 C7 -176.7(5) . .
C12 C8 C7 O4 -1.2(10) . .
C9 C8 C7 O4 175.3(6) . .
C12 C8 C7 N4 176.6(6) . .
C9 C8 C7 N4 -6.9(9) . .
C9 C8 C12 C13 0.0(10) . .
C7 C8 C12 C13 176.4(6) . .
C17 C16 C20 O1 -1.0(11) . .
C15 C16 C20 O1 177.8(7) . .
C17 C16 C20 N3 -179.4(6) . .
C15 C16 C20 N3 -0.6(9) . .
C15 C14 C13 C12 1.6(10) . .
C19 C14 C13 C12 -176.8(6) . .
C8 C12 C13 C14 -0.7(10) . .
C15 C16 C17 C18 0.0(11) . .
C20 C16 C17 C18 178.7(7) . .
C23 C22 C26 C25 -1.0(10) . .
C21 C22 C26 C25 179.2(6) . .
C9 C10 C18 C17 -3.2(11) . .
C11 C10 C18 C17 -179.5(7) . .
C16 C17 C18 C10 1.1(12) . .
C23 C22 C21 N3 -17.8(10) . .
C26 C22 C21 N3 162.1(6) . .
C22 C26 C25 N2 1.4(11) . .
C4 C3 C2 C1 -0.5(10) . .
C6 C3 C2 C1 -179.5(6) . .
N1 C1 C2 C3 0.9(10) . .
N2 C24 C23 C22 -0.5(12) . .
C26 C22 C23 C24 0.6(11) . .
C21 C22 C23 C24 -179.6(7) . .
C2 C3 C4 C5 -1.6(11) . .
C6 C3 C4 C5 177.4(7) . .
C2 C3 C6 N4 -84.0(8) . .
C4 C3 C6 N4 97.1(8) . .
C3 C4 C5 N1 3.6(12) . .
C4 C5 N1 C1 -3.2(11) . .
C4 C5 N1 Co1 178.4(6) . .
C2 C1 N1 C5 0.8(10) . .
C2 C1 N1 Co1 179.4(5) . .
N5 Co1 N1 C5 -42.7(6) . .
N5 Co1 N1 C5 133.9(6) 2 .
N2 Co1 N1 C5 -131.7(6) 4_556 .
N2 Co1 N1 C5 168(2) 3_454 .
N1 Co1 N1 C5 44.3(5) 2 .
N5 Co1 N1 C1 138.8(5) . .
N5 Co1 N1 C1 -44.6(5) 2 .
N2 Co1 N1 C1 49.9(5) 4_556 .
N2 Co1 N1 C1 -11(3) 3_454 .
N1 Co1 N1 C1 -134.2(5) 2 .
C26 C25 N2 C24 -1.1(10) . .
C26 C25 N2 Co1 -179.5(5) . 3_546
C23 C24 N2 C25 0.7(11) . .
C23 C24 N2 Co1 179.0(6) . 3_546
O2 C19 N3 C20 175.9(6) . .
C14 C19 N3 C20 -2.7(9) . .
O2 C19 N3 C21 -5.7(9) . .
C14 C19 N3 C21 175.8(5) . .
O1 C20 N3 C19 -177.0(6) . .
C16 C20 N3 C19 1.4(10) . .
O1 C20 N3 C21 4.5(9) . .
C16 C20 N3 C21 -177.1(6) . .
C22 C21 N3 C19 101.3(7) . .
C22 C21 N3 C20 -80.1(8) . .
O4 C7 N4 C11 -178.0(6) . .
C8 C7 N4 C11 4.1(10) . .
O4 C7 N4 C6 -5.4(9) . .
C8 C7 N4 C6 176.7(5) . .
O3 C11 N4 C7 -178.0(7) . .
C10 C11 N4 C7 -0.6(10) . .
O3 C11 N4 C6 9.3(10) . .
C10 C11 N4 C6 -173.3(5) . .
C3 C6 N4 C7 92.4(7) . .
C3 C6 N4 C11 -94.2(8) . .
S1 C27 N5 Co1 -94(31) . .
N5 Co1 N5 C27 -73.0(9) 2 .
N2 Co1 N5 C27 62.3(9) 4_556 .
N2 Co1 N5 C27 151.8(9) 3_454 .
N1 Co1 N5 C27 -120.4(9) 2 .
N1 Co1 N5 C27 -25.7(9) . .
