#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:57:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179770 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/66/7006630.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_7006630
loop_
_publ_author_name
'Failes, Timothy W.'
'Hambley, Trevor W.'
_publ_section_title
;
 Models of hypoxia activated prodrugs: Co(III) complexes of hydroxamic
 acids.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1895
_journal_page_last               1901
_journal_paper_doi               10.1039/b512322d
_journal_year                    2006
_chemical_formula_moiety         '[Co(bha-H)tpa]Cl'
_chemical_formula_sum            'C25 H35 Cl Co N5 O8'
_chemical_formula_weight         627.96
_chemical_name_systematic
;
?
;
_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                 103.440(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.043(2)
_cell_length_b                   13.3573(17)
_cell_length_c                   14.6063(19)
_cell_measurement_temperature    150(2)
_cell_volume                     2854.5(6)
_computing_cell_refinement       SMART
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    WINGX
_computing_publication_material  ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_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  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0167
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            26969
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    0.749
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1264
_refine_diff_density_max         1.273
_refine_diff_density_min         -1.735
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         6733
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0542
_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)+(0.1033P)²+4.2383P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1661
_refine_ls_wR_factor_ref         0.1718
_reflns_number_gt                6062
_reflns_number_total             6733
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512322d.txt
_cod_data_source_block           twf35
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2854.6(6)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7006630
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_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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.39795(18) 0.09896(18) 0.13010(19) 0.0265(5) Uani 1 1 d . . .
H1 H 0.4550 0.0857 0.1691 0.032 Uiso 1 1 calc R . .
C2 C 0.3893(2) 0.1087(2) 0.0335(2) 0.0323(6) Uani 1 1 d . . .
H2 H 0.4405 0.1034 0.0082 0.039 Uiso 1 1 calc R . .
C3 C 0.3041(2) 0.1265(2) -0.0246(2) 0.0335(6) Uani 1 1 d . . .
H3 H 0.2973 0.1329 -0.0892 0.040 Uiso 1 1 calc R . .
C4 C 0.22875(19) 0.1345(2) 0.01488(18) 0.0298(5) Uani 1 1 d . . .
H4 H 0.1706 0.1447 -0.0230 0.036 Uiso 1 1 calc R . .
C5 C 0.24173(18) 0.12710(19) 0.11160(18) 0.0254(5) Uani 1 1 d . . .
C6 C 0.16723(17) 0.1450(2) 0.16271(17) 0.0271(5) Uani 1 1 d . . .
H6A H 0.1615 0.2161 0.1738 0.033 Uiso 1 1 calc R . .
H6B H 0.1093 0.1209 0.1254 0.033 Uiso 1 1 calc R . .
C7 C 0.4055(2) -0.0913(2) 0.3402(2) 0.0319(6) Uani 1 1 d . . .
H7 H 0.4613 -0.0582 0.3580 0.038 Uiso 1 1 calc R . .
C8 C 0.4032(2) -0.1939(2) 0.3489(2) 0.0409(7) Uani 1 1 d . . .
H8 H 0.4567 -0.2297 0.3722 0.049 Uiso 1 1 calc R . .
C9 C 0.3205(3) -0.2428(2) 0.3227(2) 0.0459(8) Uani 1 1 d . . .
H9 H 0.3176 -0.3120 0.3284 0.055 Uiso 1 1 calc R . .
C10 C 0.2420(2) -0.1884(2) 0.2880(2) 0.0408(7) Uani 1 1 d . . .
H10 H 0.1857 -0.2203 0.2699 0.049 Uiso 1 1 calc R . .
C11 C 0.24862(19) -0.0847(2) 0.28045(18) 0.0291(5) Uani 1 1 d . . .
C12 C 0.16866(19) -0.0187(2) 0.2403(2) 0.0344(6) Uani 1 1 d . . .
H12A H 0.1191 -0.0345 0.2701 0.041 Uiso 1 1 calc R . .
H12B H 0.1477 -0.0322 0.1735 0.041 Uiso 1 1 calc R . .
C13 C 0.3632(2) 0.11000(19) 0.50505(19) 0.0301(6) Uani 1 1 d . . .
H13 H 0.4248 0.1057 0.5045 0.036 Uiso 1 1 calc R . .
C14 C 0.3383(2) 0.1135(2) 0.5903(2) 0.0374(7) Uani 1 1 d . . .
H14 H 0.3826 0.1137 0.6465 0.045 Uiso 1 1 calc R . .
C15 C 0.2469(2) 0.1167(2) 0.5911(2) 0.0380(7) Uani 1 1 d . . .
H15 H 0.2289 0.1170 0.6478 0.046 Uiso 1 1 calc R . .
C16 C 0.1818(2) 0.1196(2) 0.5062(2) 0.0345(6) Uani 1 1 d . . .
H16 H 0.1198 0.1213 0.5052 0.041 Uiso 1 1 calc R . .
C17 C 0.21102(19) 0.1198(2) 0.42307(19) 0.0284(5) Uani 1 1 d . . .
C18 C 0.14918(18) 0.1363(2) 0.32695(18) 0.0316(6) Uani 1 1 d . . .
H18A H 0.0900 0.1060 0.3241 0.038 Uiso 1 1 calc R . .
H18B H 0.1403 0.2074 0.3149 0.038 Uiso 1 1 calc R . .
C19 C 0.47086(16) 0.21646(18) 0.34673(16) 0.0225(4) Uani 1 1 d . . .
C20 C 0.56867(16) 0.24030(19) 0.38423(16) 0.0240(5) Uani 1 1 d . . .
C21 C 0.60006(18) 0.3378(2) 0.4053(2) 0.0308(5) Uani 1 1 d . . .
H21 H 0.5590 0.3909 0.3945 0.037 Uiso 1 1 calc R . .
C22 C 0.6926(2) 0.3557(2) 0.4425(2) 0.0370(6) Uani 1 1 d . . .
H22 H 0.7131 0.4209 0.4562 0.044 Uiso 1 1 calc R . .
C23 C 0.75421(19) 0.2769(2) 0.4591(2) 0.0392(7) Uani 1 1 d . . .
H23 H 0.8160 0.2891 0.4839 0.047 Uiso 1 1 calc R . .
C24 C 0.7236(2) 0.1802(2) 0.4387(3) 0.0411(7) Uani 1 1 d . . .
H24 H 0.7648 0.1272 0.4499 0.049 Uiso 1 1 calc R . .
C25 C 0.63134(19) 0.1618(2) 0.4015(2) 0.0338(6) Uani 1 1 d . . .
H25 H 0.6112 0.0964 0.3880 0.041 Uiso 1 1 calc R . .
N1 N 0.32467(15) 0.10844(14) 0.16763(15) 0.0229(4) Uani 1 1 d . . .
N2 N 0.32934(14) -0.03795(17) 0.30650(14) 0.0249(4) Uani 1 1 d . . .
N3 N 0.30027(16) 0.11269(15) 0.42262(15) 0.0249(4) Uani 1 1 d . . .
N4 N 0.19196(14) 0.09005(17) 0.25436(15) 0.0245(4) Uani 1 1 d . . .
N5 N 0.40976(14) 0.28584(16) 0.32202(14) 0.0238(4) Uani 1 1 d . . .
O1 O 0.32071(11) 0.24700(13) 0.29281(11) 0.0235(4) Uani 1 1 d . . .
O2 O 0.44945(12) 0.12006(13) 0.34159(13) 0.0251(4) Uani 1 1 d . . .
O1W O 0.9375(2) 0.1167(3) 0.4110(3) 0.0906(12) Uani 1 1 d . . .
O2W O 0.0010(7) -0.1943(6) 0.1267(6) 0.058(2) Uani 0.50 1 d P . .
O3W O 0.1849(2) 0.5419(3) 0.2596(3) 0.0836(10) Uani 1 1 d . . .
O4W O -0.0645(3) 0.1346(4) 0.1504(3) 0.1011(13) Uani 1 1 d . . .
O5W O 0.0096(3) 0.3575(3) 0.1608(4) 0.0453(11) Uani 0.50 1 d P . .
O6W O 0.0847(4) 0.3669(4) 0.2494(5) 0.0608(15) Uani 0.50 1 d P . .
O7W O -0.0460(3) 0.3925(8) 0.0919(4) 0.238(6) Uani 1 1 d . . .
O8W O 0.0081(6) -0.1755(9) 0.0926(10) 0.131(6) Uani 0.50 1 d P . .
Cl1 Cl 0.0000 0.0000 0.0000 0.0963(7) Uani 1 2 d S . .
Cl2 Cl 0.38705(15) 0.50094(15) 0.30808(16) 0.0618(5) Uani 0.50 1 d P . .
Co1 Co 0.32377(2) 0.10685(2) 0.29888(2) 0.02058(13) 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'
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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
N1 C1 C2 120.8(3) . . ?
C3 C2 C1 119.4(3) . . ?
C2 C3 C4 119.2(3) . . ?
C5 C4 C3 118.9(3) . . ?
N1 C5 C4 121.6(2) . . ?
N1 C5 C6 114.8(2) . . ?
C4 C5 C6 123.4(2) . . ?
N4 C6 C5 107.9(2) . . ?
N2 C7 C8 121.6(3) . . ?
C7 C8 C9 119.1(3) . . ?
C8 C9 C10 119.6(3) . . ?
C9 C10 C11 118.8(3) . . ?
N2 C11 C10 121.1(3) . . ?
N2 C11 C12 115.4(2) . . ?
C10 C11 C12 123.4(3) . . ?
C11 C12 N4 112.1(2) . . ?
N3 C13 C14 121.5(3) . . ?
C15 C14 C13 119.2(3) . . ?
C14 C15 C16 119.4(3) . . ?
C17 C16 C15 118.8(3) . . ?
N3 C17 C16 121.6(3) . . ?
N3 C17 C18 113.9(2) . . ?
C16 C17 C18 124.3(3) . . ?
N4 C18 C17 109.0(2) . . ?
N5 C19 O2 122.1(2) . . ?
N5 C19 C20 121.9(2) . . ?
O2 C19 C20 116.0(2) . . ?
C25 C20 C21 118.9(2) . . ?
C25 C20 C19 118.5(2) . . ?
C21 C20 C19 122.6(2) . . ?
C22 C21 C20 120.2(3) . . ?
C23 C22 C21 120.3(3) . . ?
C24 C23 C22 119.8(3) . . ?
C23 C24 C25 120.2(3) . . ?
C24 C25 C20 120.6(3) . . ?
C1 N1 C5 120.0(2) . . ?
C1 N1 Co1 127.00(19) . . ?
C5 N1 Co1 112.84(17) . . ?
C11 N2 C7 119.8(3) . . ?
C11 N2 Co1 115.14(18) . . ?
C7 N2 Co1 124.97(19) . . ?
C17 N3 C13 119.4(2) . . ?
C17 N3 Co1 114.12(18) . . ?
C13 N3 Co1 126.4(2) . . ?
C18 N4 C6 111.9(2) . . ?
C18 N4 C12 111.9(2) . . ?
C6 N4 C12 110.6(2) . . ?
C18 N4 Co1 106.72(15) . . ?
C6 N4 Co1 105.30(15) . . ?
C12 N4 Co1 110.17(17) . . ?
C19 N5 O1 112.6(2) . . ?
N5 O1 Co1 110.05(13) . . ?
C19 O2 Co1 109.06(15) . . ?
O7W O5W O6W 153.0(7) . . ?
O2 Co1 O1 86.15(7) . . ?
O2 Co1 N1 95.25(9) . . ?
O1 Co1 N1 86.99(8) . . ?
O2 Co1 N3 94.34(9) . . ?
O1 Co1 N3 89.77(8) . . ?
N1 Co1 N3 169.65(9) . . ?
O2 Co1 N2 92.78(8) . . ?
O1 Co1 N2 178.90(8) . . ?
N1 Co1 N2 93.33(8) . . ?
N3 Co1 N2 90.09(8) . . ?
O2 Co1 N4 178.84(9) . . ?
O1 Co1 N4 95.01(8) . . ?
N1 Co1 N4 84.89(9) . . ?
N3 Co1 N4 85.60(9) . . ?
N2 Co1 N4 86.07(9) . . ?
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
C1 N1 1.346(3) . ?
C1 C2 1.393(4) . ?
C2 C3 1.384(4) . ?
C3 C4 1.390(4) . ?
C4 C5 1.384(4) . ?
C5 N1 1.347(3) . ?
C5 C6 1.503(3) . ?
C6 N4 1.496(3) . ?
C7 N2 1.342(4) . ?
C7 C8 1.378(4) . ?
C8 C9 1.378(5) . ?
C9 C10 1.378(5) . ?
C10 C11 1.395(4) . ?
C11 N2 1.340(3) . ?
C11 C12 1.497(4) . ?
C12 N4 1.498(3) . ?
C13 N3 1.348(3) . ?
C13 C14 1.383(4) . ?
C14 C15 1.378(5) . ?
C15 C16 1.391(4) . ?
C16 C17 1.384(4) . ?
C17 N3 1.348(4) . ?
C17 C18 1.509(4) . ?
C18 N4 1.496(3) . ?
C19 N5 1.296(3) . ?
C19 O2 1.325(3) . ?
C19 C20 1.481(3) . ?
C20 C25 1.394(4) . ?
C20 C21 1.394(4) . ?
C21 C22 1.392(4) . ?
C22 C23 1.387(4) . ?
C23 C24 1.380(4) . ?
C24 C25 1.390(4) . ?
N1 Co1 1.920(2) . ?
N2 Co1 1.938(2) . ?
N3 Co1 1.922(2) . ?
N4 Co1 1.951(2) . ?
N5 O1 1.407(3) . ?
O1 Co1 1.8742(18) . ?
O2 Co1 1.8564(18) . ?
O2W O8W 0.590(19) . ?
O5W O7W 1.241(8) . ?
O5W O6W 1.512(8) . ?
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
N1 C1 C2 C3 -1.3(4) . . . . ?
C1 C2 C3 C4 0.2(4) . . . . ?
C2 C3 C4 C5 1.6(4) . . . . ?
C3 C4 C5 N1 -2.6(4) . . . . ?
C3 C4 C5 C6 173.5(3) . . . . ?
N1 C5 C6 N4 -27.5(3) . . . . ?
C4 C5 C6 N4 156.1(2) . . . . ?
N2 C7 C8 C9 -0.2(5) . . . . ?
C7 C8 C9 C10 0.3(5) . . . . ?
C8 C9 C10 C11 -0.1(5) . . . . ?
C9 C10 C11 N2 -0.2(4) . . . . ?
C9 C10 C11 C12 177.5(3) . . . . ?
N2 C11 C12 N4 -11.1(3) . . . . ?
C10 C11 C12 N4 171.0(3) . . . . ?
N3 C13 C14 C15 2.0(4) . . . . ?
C13 C14 C15 C16 -2.0(4) . . . . ?
C14 C15 C16 C17 -0.5(4) . . . . ?
C15 C16 C17 N3 3.1(4) . . . . ?
C15 C16 C17 C18 -171.7(3) . . . . ?
N3 C17 C18 N4 28.7(3) . . . . ?
C16 C17 C18 N4 -156.1(3) . . . . ?
N5 C19 C20 C25 -174.5(2) . . . . ?
O2 C19 C20 C25 6.7(3) . . . . ?
N5 C19 C20 C21 7.4(4) . . . . ?
O2 C19 C20 C21 -171.5(2) . . . . ?
C25 C20 C21 C22 0.4(4) . . . . ?
C19 C20 C21 C22 178.5(3) . . . . ?
C20 C21 C22 C23 -0.2(5) . . . . ?
C21 C22 C23 C24 -0.1(5) . . . . ?
C22 C23 C24 C25 0.1(5) . . . . ?
C23 C24 C25 C20 0.0(5) . . . . ?
C21 C20 C25 C24 -0.3(4) . . . . ?
C19 C20 C25 C24 -178.5(3) . . . . ?
C2 C1 N1 C5 0.3(4) . . . . ?
C2 C1 N1 Co1 -175.34(18) . . . . ?
C4 C5 N1 C1 1.6(4) . . . . ?
C6 C5 N1 C1 -174.8(2) . . . . ?
C4 C5 N1 Co1 177.9(2) . . . . ?
C6 C5 N1 Co1 1.4(3) . . . . ?
C10 C11 N2 C7 0.3(4) . . . . ?
C12 C11 N2 C7 -177.6(2) . . . . ?
C10 C11 N2 Co1 -176.0(2) . . . . ?
C12 C11 N2 Co1 6.1(3) . . . . ?
C8 C7 N2 C11 -0.1(4) . . . . ?
C8 C7 N2 Co1 175.8(2) . . . . ?
C16 C17 N3 C13 -3.2(4) . . . . ?
C18 C17 N3 C13 172.1(2) . . . . ?
C16 C17 N3 Co1 176.6(2) . . . . ?
C18 C17 N3 Co1 -8.1(3) . . . . ?
C14 C13 N3 C17 0.6(4) . . . . ?
C14 C13 N3 Co1 -179.2(2) . . . . ?
C17 C18 N4 C6 -149.2(2) . . . . ?
C17 C18 N4 C12 86.0(3) . . . . ?
C17 C18 N4 Co1 -34.5(3) . . . . ?
C5 C6 N4 C18 154.5(2) . . . . ?
C5 C6 N4 C12 -80.1(3) . . . . ?
C5 C6 N4 Co1 38.9(2) . . . . ?
C11 C12 N4 C18 -107.9(3) . . . . ?
C11 C12 N4 C6 126.6(2) . . . . ?
C11 C12 N4 Co1 10.6(3) . . . . ?
O2 C19 N5 O1 1.7(3) . . . . ?
C20 C19 N5 O1 -177.02(19) . . . . ?
C19 N5 O1 Co1 -0.8(2) . . . . ?
N5 C19 O2 Co1 -1.7(3) . . . . ?
C20 C19 O2 Co1 177.14(16) . . . . ?
C19 O2 Co1 O1 0.82(16) . . . . ?
C19 O2 Co1 N1 87.43(16) . . . . ?
C19 O2 Co1 N3 -88.66(16) . . . . ?
C19 O2 Co1 N2 -178.96(16) . . . . ?
C19 O2 Co1 N4 -176(100) . . . . ?
N5 O1 Co1 O2 0.00(14) . . . . ?
N5 O1 Co1 N1 -95.47(14) . . . . ?
N5 O1 Co1 N3 94.36(15) . . . . ?
N5 O1 Co1 N2 12(4) . . . . ?
N5 O1 Co1 N4 179.93(14) . . . . ?
C1 N1 Co1 O2 12.8(2) . . . . ?
C5 N1 Co1 O2 -163.15(17) . . . . ?
C1 N1 Co1 O1 98.6(2) . . . . ?
C5 N1 Co1 O1 -77.31(17) . . . . ?
C1 N1 Co1 N3 170.6(4) . . . . ?
C5 N1 Co1 N3 -5.3(6) . . . . ?
C1 N1 Co1 N2 -80.3(2) . . . . ?
C5 N1 Co1 N2 103.74(18) . . . . ?
C1 N1 Co1 N4 -166.1(2) . . . . ?
C5 N1 Co1 N4 18.00(17) . . . . ?
C17 N3 Co1 O2 170.94(18) . . . . ?
C13 N3 Co1 O2 -9.3(2) . . . . ?
C17 N3 Co1 O1 84.82(18) . . . . ?
C13 N3 Co1 O1 -95.4(2) . . . . ?
C17 N3 Co1 N1 13.1(6) . . . . ?
C13 N3 Co1 N1 -167.1(4) . . . . ?
C17 N3 Co1 N2 -96.27(18) . . . . ?
C13 N3 Co1 N2 83.5(2) . . . . ?
C17 N3 Co1 N4 -10.22(18) . . . . ?
C13 N3 Co1 N4 169.6(2) . . . . ?
C11 N2 Co1 O2 -179.92(18) . . . . ?
C7 N2 Co1 O2 4.1(2) . . . . ?
C11 N2 Co1 O1 169(4) . . . . ?
C7 N2 Co1 O1 -7(4) . . . . ?
C11 N2 Co1 N1 -84.49(18) . . . . ?
C7 N2 Co1 N1 99.5(2) . . . . ?
C11 N2 Co1 N3 85.73(18) . . . . ?
C7 N2 Co1 N3 -90.3(2) . . . . ?
C11 N2 Co1 N4 0.15(18) . . . . ?
C7 N2 Co1 N4 -175.9(2) . . . . ?
C18 N4 Co1 O2 112(4) . . . . ?
C6 N4 Co1 O2 -129(4) . . . . ?
C12 N4 Co1 O2 -9(4) . . . . ?
C18 N4 Co1 O1 -64.30(18) . . . . ?
C6 N4 Co1 O1 54.79(16) . . . . ?
C12 N4 Co1 O1 174.07(17) . . . . ?
C18 N4 Co1 N1 -150.81(18) . . . . ?
C6 N4 Co1 N1 -31.73(16) . . . . ?
C12 N4 Co1 N1 87.56(17) . . . . ?
C18 N4 Co1 N3 25.09(18) . . . . ?
C6 N4 Co1 N3 144.18(17) . . . . ?
C12 N4 Co1 N3 -96.54(18) . . . . ?
C18 N4 Co1 N2 115.48(18) . . . . ?
C6 N4 Co1 N2 -125.43(17) . . . . ?
C12 N4 Co1 N2 -6.15(17) . . . . ?
