#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/66/7006629.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_7006629
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(pha)tpa](ClO4)1.5'
_chemical_formula_sum            'C21 H24 Cl1.5 Co N5 O8'
_chemical_formula_weight         586.56
_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                 124.426(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.720(7)
_cell_length_b                   18.459(7)
_cell_length_c                   17.196(6)
_cell_measurement_temperature    293(2)
_cell_volume                     5163(3)
_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-86
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.936
_diffrn_measured_fraction_theta_max 0.936
_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  0.0973
_diffrn_reflns_av_sigmaI/netI    0.0907
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            22888
_diffrn_reflns_theta_full        28.39
_diffrn_reflns_theta_max         28.39
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.874
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            grey/green
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2412
_refine_diff_density_max         0.669
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         6069
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.2021
_refine_ls_R_factor_gt           0.0825
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1329P)²+28.8445P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2141
_refine_ls_wR_factor_ref         0.3149
_reflns_number_gt                2549
_reflns_number_total             6069
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512322d.txt
_cod_data_source_block           twf26
_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_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C21 H24 Cl1.50 Co N5 O8'
_cod_database_code               7006629
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3218(5) 0.6672(6) 0.4596(6) 0.074(2) Uani 1 1 d . . .
C2 C 0.2752(7) 0.5996(7) 0.4504(10) 0.124(4) Uani 1 1 d . . .
H2A H 0.2457 0.6082 0.4794 0.149 Uiso 1 1 calc R . .
H2B H 0.2348 0.5902 0.3839 0.149 Uiso 1 1 calc R . .
C3 C 0.3271(11) 0.5345(8) 0.4936(13) 0.177(7) Uani 1 1 d . . .
H3A H 0.3631 0.5410 0.5606 0.266 Uiso 1 1 calc R . .
H3B H 0.3593 0.5272 0.4683 0.266 Uiso 1 1 calc R . .
H3C H 0.2928 0.4930 0.4799 0.266 Uiso 1 1 calc R . .
C4 C 0.3995(6) 0.9008(5) 0.4095(7) 0.090(3) Uani 1 1 d . . .
H4A H 0.3688 0.9164 0.4349 0.108 Uiso 1 1 calc R . .
H4B H 0.4208 0.9435 0.3971 0.108 Uiso 1 1 calc R . .
C5 C 0.3451(5) 0.8596(5) 0.3209(6) 0.073(2) Uani 1 1 d . . .
C6 C 0.2950(6) 0.8920(6) 0.2317(8) 0.104(3) Uani 1 1 d . . .
H6 H 0.2964 0.9418 0.2243 0.124 Uiso 1 1 calc R . .
C7 C 0.2439(7) 0.8482(8) 0.1557(8) 0.109(4) Uani 1 1 d . . .
H7 H 0.2094 0.8679 0.0957 0.130 Uiso 1 1 calc R . .
C8 C 0.2447(6) 0.7763(7) 0.1692(6) 0.094(3) Uani 1 1 d . . .
H8 H 0.2095 0.7466 0.1181 0.112 Uiso 1 1 calc R . .
C9 C 0.2958(5) 0.7460(5) 0.2560(5) 0.069(2) Uani 1 1 d . . .
H9 H 0.2962 0.6960 0.2633 0.083 Uiso 1 1 calc R . .
C10 C 0.5379(5) 0.8530(5) 0.4649(6) 0.073(2) Uani 1 1 d . . .
H10A H 0.5279 0.8907 0.4202 0.087 Uiso 1 1 calc R . .
H10B H 0.5890 0.8642 0.5244 0.087 Uiso 1 1 calc R . .
C11 C 0.5460(4) 0.7823(5) 0.4299(5) 0.0624(19) Uani 1 1 d . . .
C12 C 0.5996(5) 0.7701(6) 0.4051(6) 0.080(3) Uani 1 1 d . . .
H12 H 0.6317 0.8077 0.4066 0.097 Uiso 1 1 calc R . .
C13 C 0.6059(6) 0.7014(7) 0.3779(7) 0.095(3) Uani 1 1 d . . .
H13 H 0.6426 0.6923 0.3613 0.114 Uiso 1 1 calc R . .
C14 C 0.5587(6) 0.6479(6) 0.3754(7) 0.090(3) Uani 1 1 d . . .
H14 H 0.5634 0.6012 0.3585 0.108 Uiso 1 1 calc R . .
C15 C 0.5034(5) 0.6623(4) 0.3979(6) 0.068(2) Uani 1 1 d . . .
H15 H 0.4692 0.6255 0.3937 0.081 Uiso 1 1 calc R . .
C16 C 0.5006(6) 0.8694(7) 0.5787(7) 0.103(4) Uani 1 1 d . . .
H16A H 0.5418 0.9072 0.6022 0.123 Uiso 1 1 calc R . .
H16B H 0.4560 0.8868 0.5823 0.123 Uiso 1 1 calc R . .
C17 C 0.5366(7) 0.8045(8) 0.6369(7) 0.098(3) Uani 1 1 d U . .
C18 C 0.5965(9) 0.7999(9) 0.7361(10) 0.140(5) Uani 1 1 d U . .
H18 H 0.6207 0.8413 0.7726 0.168 Uiso 1 1 calc R . .
C19 C 0.6155(11) 0.7360(11) 0.7730(12) 0.155(6) Uani 1 1 d U . .
H19 H 0.6505 0.7347 0.8384 0.186 Uiso 1 1 calc R . .
C20 C 0.5926(9) 0.6728(10) 0.7312(10) 0.143(5) Uani 1 1 d U . .
H20 H 0.6137 0.6289 0.7625 0.172 Uiso 1 1 calc R . .
C21 C 0.5329(6) 0.6786(7) 0.6341(7) 0.098(3) Uani 1 1 d U . .
H21 H 0.5111 0.6362 0.5992 0.118 Uiso 1 1 calc R . .
N1 N 0.3454(3) 0.7882(3) 0.3309(4) 0.0543(14) Uani 1 1 d . . .
N2 N 0.4977(4) 0.7285(4) 0.4257(4) 0.0600(16) Uani 1 1 d . . .
N3 N 0.5060(4) 0.7416(5) 0.5893(5) 0.082(2) Uani 1 1 d . . .
N4 N 0.4687(4) 0.8527(4) 0.4784(5) 0.0681(18) Uani 1 1 d . . .
N5 N 0.3075(4) 0.7266(5) 0.4846(5) 0.083(2) Uani 1 1 d . . .
H5 H 0.2722 0.7293 0.4989 0.100 Uiso 1 1 calc R . .
O1 O 0.3768(3) 0.6649(3) 0.4412(4) 0.0680(14) Uani 1 1 d . . .
O2 O 0.3509(3) 0.7873(3) 0.4883(4) 0.0731(15) Uani 1 1 d . . .
O3 O 0.2063(5) 0.4332(5) 0.6802(7) 0.147(3) Uani 1 1 d . . .
O4 O 0.3429(5) 0.4320(6) 0.7247(7) 0.172(4) Uani 1 1 d . . .
O5 O 0.2588(6) 0.5221(4) 0.6314(7) 0.149(4) Uani 1 1 d . . .
O6 O 0.2395(6) 0.4004(6) 0.5771(8) 0.169(4) Uani 1 1 d . . .
Cl1 Cl 0.26113(16) 0.44787(15) 0.6545(2) 0.0991(9) Uani 1 1 d . . .
Cl2 Cl 0.0000 0.4818(3) 0.2500 0.1238(15) Uani 1 2 d S . .
O11 O 0.0000 0.4072(10) 0.2500 0.255(11) Uani 1 2 d S . .
O12 O 0.0556(12) 0.5106(17) 0.245(2) 0.318(18) Uani 0.75 1 d P . .
O13 O 0.039(3) 0.4962(11) 0.3385(16) 0.36(2) Uani 0.75 1 d P . .
Co1 Co 0.42332(6) 0.75632(6) 0.45806(7) 0.0565(4) 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
N5 C1 O1 119.4(9) . . ?
N5 C1 C2 120.9(9) . . ?
O1 C1 C2 119.7(10) . . ?
C3 C2 C1 114.4(10) . . ?
C5 C4 N4 108.4(7) . . ?
N1 C5 C6 120.9(9) . . ?
N1 C5 C4 115.4(8) . . ?
C6 C5 C4 123.8(9) . . ?
C7 C6 C5 118.2(10) . . ?
C8 C7 C6 119.0(10) . . ?
C7 C8 C9 121.5(10) . . ?
N1 C9 C8 120.0(9) . . ?
C11 C10 N4 111.9(7) . . ?
N2 C11 C12 120.6(8) . . ?
N2 C11 C10 115.8(7) . . ?
C12 C11 C10 123.5(8) . . ?
C11 C12 C13 119.5(9) . . ?
C14 C13 C12 119.6(9) . . ?
C13 C14 C15 119.6(9) . . ?
N2 C15 C14 121.2(9) . . ?
C17 C16 N4 110.2(8) . . ?
N3 C17 C18 117.3(12) . . ?
N3 C17 C16 114.3(9) . . ?
C18 C17 C16 128.3(12) . . ?
C19 C18 C17 117.1(15) . . ?
C18 C19 C20 129.1(17) . . ?
C19 C20 C21 112.5(15) . . ?
N3 C21 C20 123.3(12) . . ?
C5 N1 C9 120.4(7) . . ?
C5 N1 Co1 113.2(5) . . ?
C9 N1 Co1 126.5(6) . . ?
C15 N2 C11 119.5(7) . . ?
C15 N2 Co1 125.6(6) . . ?
C11 N2 Co1 114.9(5) . . ?
C21 N3 C17 120.4(9) . . ?
C21 N3 Co1 127.0(8) . . ?
C17 N3 Co1 112.6(8) . . ?
C4 N4 C16 113.1(7) . . ?
C4 N4 C10 112.1(7) . . ?
C16 N4 C10 110.5(6) . . ?
C4 N4 Co1 106.4(5) . . ?
C16 N4 Co1 104.4(6) . . ?
C10 N4 Co1 110.0(5) . . ?
C1 N5 O2 117.6(7) . . ?
C1 O1 Co1 110.0(6) . . ?
N5 O2 Co1 106.9(5) . . ?
O4 Cl1 O3 113.9(7) . . ?
O4 Cl1 O5 106.4(6) . . ?
O3 Cl1 O5 111.4(5) . . ?
O4 Cl1 O6 105.5(7) . . ?
O3 Cl1 O6 107.0(6) . . ?
O5 Cl1 O6 112.5(7) . . ?
O12 Cl2 O12 130(3) . 2 ?
O12 Cl2 O13 91.6(17) . . ?
O12 Cl2 O13 78.4(16) 2 . ?
O12 Cl2 O13 78.4(16) . 2 ?
O12 Cl2 O13 91.6(17) 2 2 ?
O13 Cl2 O13 156.2(18) . 2 ?
O12 Cl2 O11 114.8(15) . . ?
O12 Cl2 O11 114.8(15) 2 . ?
O13 Cl2 O11 101.9(9) . . ?
O13 Cl2 O11 101.9(9) 2 . ?
Cl2 O12 O13 51.3(11) . 2 ?
Cl2 O13 O12 50.2(12) . 2 ?
O1 Co1 O2 86.2(2) . . ?
O1 Co1 N2 95.9(3) . . ?
O2 Co1 N2 177.7(3) . . ?
O1 Co1 N3 94.1(3) . . ?
O2 Co1 N3 89.4(3) . . ?
N2 Co1 N3 91.3(3) . . ?
O1 Co1 N1 95.4(2) . . ?
O2 Co1 N1 88.7(2) . . ?
N2 Co1 N1 90.1(2) . . ?
N3 Co1 N1 170.2(3) . . ?
O1 Co1 N4 177.0(2) . . ?
O2 Co1 N4 90.9(3) . . ?
N2 Co1 N4 87.0(3) . . ?
N3 Co1 N4 85.3(3) . . ?
N1 Co1 N4 85.1(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
C1 N5 1.268(11) . ?
C1 O1 1.289(9) . ?
C1 C2 1.503(14) . ?
C2 C3 1.478(18) . ?
C4 C5 1.484(12) . ?
C4 N4 1.492(11) . ?
C5 N1 1.328(10) . ?
C5 C6 1.405(13) . ?
C6 C7 1.375(15) . ?
C7 C8 1.347(15) . ?
C8 C9 1.362(12) . ?
C9 N1 1.341(10) . ?
C10 C11 1.483(11) . ?
C10 N4 1.509(9) . ?
C11 N2 1.350(10) . ?
C11 C12 1.364(10) . ?
C12 C13 1.382(14) . ?
C13 C14 1.341(14) . ?
C14 C15 1.375(11) . ?
C15 N2 1.339(9) . ?
C16 C17 1.462(15) . ?
C16 N4 1.496(11) . ?
C17 N3 1.350(13) . ?
C17 C18 1.426(16) . ?
C18 C19 1.29(2) . ?
C19 C20 1.31(2) . ?
C20 C21 1.401(16) . ?
C21 N3 1.330(13) . ?
N1 Co1 1.922(6) . ?
N2 Co1 1.910(6) . ?
N3 Co1 1.914(7) . ?
N4 Co1 1.933(7) . ?
N5 O2 1.390(10) . ?
O1 Co1 1.863(5) . ?
O2 Co1 1.863(5) . ?
O3 Cl1 1.407(8) . ?
O4 Cl1 1.393(8) . ?
O5 Cl1 1.421(8) . ?
O6 Cl1 1.441(10) . ?
Cl2 O12 1.265(18) . ?
Cl2 O12 1.265(18) 2 ?
Cl2 O13 1.29(2) . ?
Cl2 O13 1.29(2) 2 ?
Cl2 O11 1.378(18) . ?
O12 O13 1.61(4) 2 ?
O13 O12 1.61(4) 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N5 C1 C2 C3 -134.2(12) . . . . ?
O1 C1 C2 C3 46.2(16) . . . . ?
N4 C4 C5 N1 27.1(11) . . . . ?
N4 C4 C5 C6 -153.9(9) . . . . ?
N1 C5 C6 C7 2.5(15) . . . . ?
C4 C5 C6 C7 -176.4(9) . . . . ?
C5 C6 C7 C8 -0.9(17) . . . . ?
C6 C7 C8 C9 -1.1(18) . . . . ?
C7 C8 C9 N1 1.7(15) . . . . ?
N4 C10 C11 N2 -6.7(10) . . . . ?
N4 C10 C11 C12 174.9(7) . . . . ?
N2 C11 C12 C13 -1.7(12) . . . . ?
C10 C11 C12 C13 176.7(8) . . . . ?
C11 C12 C13 C14 0.5(14) . . . . ?
C12 C13 C14 C15 1.5(15) . . . . ?
C13 C14 C15 N2 -2.5(14) . . . . ?
N4 C16 C17 N3 -25.8(11) . . . . ?
N4 C16 C17 C18 156.9(10) . . . . ?
N3 C17 C18 C19 -1.3(19) . . . . ?
C16 C17 C18 C19 176.0(13) . . . . ?
C17 C18 C19 C20 6(3) . . . . ?
C18 C19 C20 C21 -7(3) . . . . ?
C19 C20 C21 N3 3.1(19) . . . . ?
C6 C5 N1 C9 -2.1(12) . . . . ?
C4 C5 N1 C9 177.0(7) . . . . ?
C6 C5 N1 Co1 176.6(7) . . . . ?
C4 C5 N1 Co1 -4.3(9) . . . . ?
C8 C9 N1 C5 0.0(12) . . . . ?
C8 C9 N1 Co1 -178.5(6) . . . . ?
C14 C15 N2 C11 1.4(12) . . . . ?
C14 C15 N2 Co1 179.5(6) . . . . ?
C12 C11 N2 C15 0.7(11) . . . . ?
C10 C11 N2 C15 -177.8(7) . . . . ?
C12 C11 N2 Co1 -177.6(6) . . . . ?
C10 C11 N2 Co1 3.9(8) . . . . ?
C20 C21 N3 C17 0.7(15) . . . . ?
C20 C21 N3 Co1 -178.6(8) . . . . ?
C18 C17 N3 C21 -1.7(14) . . . . ?
C16 C17 N3 C21 -179.4(8) . . . . ?
C18 C17 N3 Co1 177.7(8) . . . . ?
C16 C17 N3 Co1 0.0(10) . . . . ?
C5 C4 N4 C16 -149.8(8) . . . . ?
C5 C4 N4 C10 84.5(9) . . . . ?
C5 C4 N4 Co1 -35.7(8) . . . . ?
C17 C16 N4 C4 152.9(8) . . . . ?
C17 C16 N4 C10 -80.6(9) . . . . ?
C17 C16 N4 Co1 37.6(8) . . . . ?
C11 C10 N4 C4 -111.9(8) . . . . ?
C11 C10 N4 C16 120.9(8) . . . . ?
C11 C10 N4 Co1 6.2(8) . . . . ?
O1 C1 N5 O2 1.9(11) . . . . ?
C2 C1 N5 O2 -177.7(8) . . . . ?
N5 C1 O1 Co1 0.1(9) . . . . ?
C2 C1 O1 Co1 179.7(7) . . . . ?
C1 N5 O2 Co1 -2.7(8) . . . . ?
O12 Cl2 O12 O13 -82.1(12) 2 . . 2 ?
O13 Cl2 O12 O13 -158.2(18) . . . 2 ?
O11 Cl2 O12 O13 97.9(12) . . . 2 ?
O12 Cl2 O13 O12 131(3) . . . 2 ?
O13 Cl2 O13 O12 66.7(17) 2 . . 2 ?
O11 Cl2 O13 O12 -113.3(17) . . . 2 ?
C1 O1 Co1 O2 -1.3(5) . . . . ?
C1 O1 Co1 N2 179.6(5) . . . . ?
C1 O1 Co1 N3 87.9(5) . . . . ?
C1 O1 Co1 N1 -89.7(5) . . . . ?
C1 O1 Co1 N4 10(5) . . . . ?
N5 O2 Co1 O1 2.1(4) . . . . ?
N5 O2 Co1 N2 158(6) . . . . ?
N5 O2 Co1 N3 -92.0(5) . . . . ?
N5 O2 Co1 N1 97.6(5) . . . . ?
N5 O2 Co1 N4 -177.4(5) . . . . ?
C15 N2 Co1 O1 2.2(6) . . . . ?
C11 N2 Co1 O1 -179.6(5) . . . . ?
C15 N2 Co1 O2 -153(6) . . . . ?
C11 N2 Co1 O2 25(6) . . . . ?
C15 N2 Co1 N3 96.4(7) . . . . ?
C11 N2 Co1 N3 -85.4(6) . . . . ?
C15 N2 Co1 N1 -93.2(6) . . . . ?
C11 N2 Co1 N1 84.9(5) . . . . ?
C15 N2 Co1 N4 -178.3(6) . . . . ?
C11 N2 Co1 N4 -0.1(5) . . . . ?
C21 N3 Co1 O1 20.7(8) . . . . ?
C17 N3 Co1 O1 -158.6(6) . . . . ?
C21 N3 Co1 O2 106.9(8) . . . . ?
C17 N3 Co1 O2 -72.5(6) . . . . ?
C21 N3 Co1 N2 -75.3(8) . . . . ?
C17 N3 Co1 N2 105.4(6) . . . . ?
C21 N3 Co1 N1 -173.8(12) . . . . ?
C17 N3 Co1 N1 6.8(18) . . . . ?
C21 N3 Co1 N4 -162.2(8) . . . . ?
C17 N3 Co1 N4 18.5(6) . . . . ?
C5 N1 Co1 O1 163.0(5) . . . . ?
C9 N1 Co1 O1 -18.4(6) . . . . ?
C5 N1 Co1 O2 76.9(5) . . . . ?
C9 N1 Co1 O2 -104.5(6) . . . . ?
C5 N1 Co1 N2 -101.1(6) . . . . ?
C9 N1 Co1 N2 77.5(6) . . . . ?
C5 N1 Co1 N3 -2.4(17) . . . . ?
C9 N1 Co1 N3 176.2(13) . . . . ?
C5 N1 Co1 N4 -14.1(5) . . . . ?
C9 N1 Co1 N4 164.5(6) . . . . ?
C4 N4 Co1 O1 -72(5) . . . . ?
C16 N4 Co1 O1 48(5) . . . . ?
C10 N4 Co1 O1 167(5) . . . . ?
C4 N4 Co1 O2 -60.9(5) . . . . ?
C16 N4 Co1 O2 59.0(6) . . . . ?
C10 N4 Co1 O2 177.5(5) . . . . ?
C4 N4 Co1 N2 118.1(5) . . . . ?
C16 N4 Co1 N2 -122.0(6) . . . . ?
C10 N4 Co1 N2 -3.5(5) . . . . ?
C4 N4 Co1 N3 -150.3(6) . . . . ?
C16 N4 Co1 N3 -30.4(6) . . . . ?
C10 N4 Co1 N3 88.1(5) . . . . ?
C4 N4 Co1 N1 27.7(5) . . . . ?
C16 N4 Co1 N1 147.6(6) . . . . ?
C10 N4 Co1 N1 -93.9(5) . . . . ?
