#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/54/4505477.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_4505477
loop_
_publ_author_name
'Chen, Zhi'
'Gao, Dong-Liang'
'Diao, Chun-Hua'
'Liu, Yue'
'Ren, Jia'
'Chen, Ji'
'Zhao, Bin'
'Shi, Wei'
'Cheng, Peng'
_publ_section_title
;
 Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic
 Properties of a Series of Transition Metal Compounds
 Containingo-Carboxylphenoxyacetate Acid
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1201
_journal_paper_doi               10.1021/cg201197k
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C24 H19 Co N3 O5.5'
_chemical_formula_weight         496.35
_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                 110.06(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.450(2)
_cell_length_b                   14.170(3)
_cell_length_c                   15.695(3)
_cell_measurement_reflns_used    5498
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.72
_cell_measurement_theta_min      1.89
_cell_volume                     2392.0(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0668
_diffrn_reflns_av_sigmaI/netI    0.0690
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15833
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    0.758
_exptl_absorpt_correction_T_max  0.8947
_exptl_absorpt_correction_T_min  0.8044
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.654
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         4192
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.1078
_refine_ls_R_factor_gt           0.0825
_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)+(0.1133P)²+0.5856P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2092
_refine_ls_wR_factor_ref         0.2290
_reflns_number_gt                3104
_reflns_number_total             4192
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg201197k_si_002.cif
_cod_data_source_block           5
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2392.0(8)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C24 H19 Co N3 O5.50'
_cod_database_code               4505477
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
Co1 Co 0.21105(6) 0.28019(4) 0.31497(5) 0.0555(3) Uani 1 1 d . . .
C1 C 0.3088(5) 0.1077(4) 0.4650(4) 0.0721(15) Uani 1 1 d . . .
C2 C 0.3737(7) 0.0767(6) 0.5531(5) 0.102(2) Uani 1 1 d . . .
H2 H 0.4108 0.1197 0.5992 0.123 Uiso 1 1 calc R . .
C3 C 0.3814(9) -0.0169(7) 0.5697(7) 0.124(3) Uani 1 1 d . . .
H3 H 0.4212 -0.0386 0.6285 0.149 Uiso 1 1 calc R . .
C4 C 0.3321(10) -0.0797(6) 0.5020(8) 0.128(3) Uani 1 1 d . . .
H4 H 0.3417 -0.1440 0.5144 0.154 Uiso 1 1 calc R . .
C5 C 0.2665(8) -0.0491(5) 0.4133(6) 0.111(3) Uani 1 1 d . . .
H5 H 0.2300 -0.0928 0.3677 0.133 Uiso 1 1 calc R . .
C6 C 0.2565(7) 0.0463(4) 0.3942(5) 0.0769(16) Uani 1 1 d . A .
C7 C 0.1891(8) 0.0713(4) 0.2957(5) 0.092(2) Uani 1 1 d . . .
C8 C 0.3538(7) 0.2668(5) 0.5213(4) 0.088(2) Uani 1 1 d . . .
H8A H 0.4430 0.2567 0.5427 0.105 Uiso 1 1 calc R . .
H8B H 0.3240 0.2542 0.5710 0.105 Uiso 1 1 calc R . .
C9 C 0.3247(6) 0.3677(5) 0.4895(5) 0.0835(17) Uani 1 1 d . . .
C10 C 0.4738(5) 0.3599(4) 0.3354(5) 0.0772(17) Uani 1 1 d . . .
H10 H 0.4441 0.4122 0.3575 0.093 Uiso 1 1 calc R . .
C11 C 0.5937(5) 0.3617(4) 0.3361(5) 0.0785(17) Uani 1 1 d . . .
H11 H 0.6434 0.4141 0.3590 0.094 Uiso 1 1 calc R . .
C12 C 0.6419(5) 0.2853(3) 0.3028(4) 0.0589(13) Uani 1 1 d . . .
C13 C 0.5602(5) 0.2118(4) 0.2660(4) 0.0650(14) Uani 1 1 d . . .
H13 H 0.5857 0.1606 0.2397 0.078 Uiso 1 1 calc R . .
C14 C 0.4414(5) 0.2148(4) 0.2685(4) 0.0627(13) Uani 1 1 d . . .
H14 H 0.3888 0.1642 0.2438 0.075 Uiso 1 1 calc R . .
C15 C 0.1336(7) 0.4544(4) 0.2005(4) 0.092(2) Uani 1 1 d . . .
H15 H 0.1679 0.4834 0.2567 0.111 Uiso 1 1 calc R . .
C16 C 0.0788(7) 0.5102(4) 0.1263(4) 0.094(2) Uani 1 1 d . . .
H16 H 0.0745 0.5751 0.1337 0.113 Uiso 1 1 calc R . .
C17 C 0.0298(5) 0.4716(3) 0.0407(3) 0.0573(12) Uani 1 1 d . . .
C18 C 0.0401(6) 0.3750(4) 0.0373(4) 0.0764(17) Uani 1 1 d . . .
H18 H 0.0093 0.3442 -0.0183 0.092 Uiso 1 1 calc R . .
C19 C 0.0954(6) 0.3231(4) 0.1154(4) 0.0759(16) Uani 1 1 d . . .
H19 H 0.1010 0.2579 0.1104 0.091 Uiso 1 1 calc R . .
C20 C -0.0139(5) 0.3210(4) 0.3806(4) 0.0643(13) Uani 1 1 d . . .
H20 H 0.0465 0.3515 0.4281 0.077 Uiso 1 1 calc R . .
C21 C -0.1342(5) 0.3244(4) 0.3781(4) 0.0676(14) Uani 1 1 d . . .
H21 H -0.1536 0.3553 0.4238 0.081 Uiso 1 1 calc R . .
H23 H -0.248(6) 0.204(4) 0.197(4) 0.081 Uiso 1 1 d . . .
C22 C -0.2282(5) 0.2815(3) 0.3070(4) 0.0594(13) Uani 1 1 d . . .
C23 C -0.1922(5) 0.2342(4) 0.2424(4) 0.0638(14) Uani 1 1 d . . .
C24 C -0.0687(5) 0.2328(4) 0.2508(4) 0.0644(14) Uani 1 1 d . . .
H24 H -0.0460 0.2001 0.2075 0.077 Uiso 1 1 calc R . .
N1 N 0.3966(4) 0.2859(3) 0.3042(3) 0.0594(11) Uani 1 1 d . . .
N2 N 0.1407(4) 0.3618(3) 0.1967(3) 0.0587(10) Uani 1 1 d . . .
N3 N 0.0220(4) 0.2765(3) 0.3189(3) 0.0568(10) Uani 1 1 d . . .
O1 O 0.217(2) 0.0053(10) 0.2449(10) 0.110(6) Uani 0.346(15) 1 d PU A 1
O2 O 0.1882(3) 0.1530(3) 0.2668(3) 0.0706(10) Uani 1 1 d . A .
O3 O 0.2560(4) 0.3833(3) 0.4079(3) 0.0707(10) Uani 1 1 d . . .
O4 O 0.3700(5) 0.4305(4) 0.5467(4) 0.127(2) Uani 1 1 d . . .
O5 O 0.2945(4) 0.2041(3) 0.4472(3) 0.0728(10) Uani 1 1 d . . .
O6 O 0.6263(9) 0.0866(6) 0.0985(7) 0.117(4) Uani 0.50 1 d P . .
H6A H 0.5486 0.0780 0.0737 0.140 Uiso 0.50 1 d PR . .
H6B H 0.6555 0.1158 0.0626 0.140 Uiso 0.50 1 d PR . .
O1' O 0.1043(11) 0.0124(5) 0.2430(5) 0.107(4) Uani 0.654(15) 1 d PU A 2
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_3
O2 Co1 O3 158.35(17) .
O2 Co1 N2 101.97(17) .
O3 Co1 N2 99.64(17) .
O2 Co1 N3 89.24(15) .
O3 Co1 N3 90.37(16) .
N2 Co1 N3 87.41(15) .
O2 Co1 N1 90.49(15) .
O3 Co1 N1 90.88(16) .
N2 Co1 N1 90.00(16) .
N3 Co1 N1 177.28(15) .
O2 Co1 O5 82.62(15) .
O3 Co1 O5 75.82(15) .
N2 Co1 O5 175.16(15) .
N3 Co1 O5 94.24(15) .
N1 Co1 O5 88.41(15) .
C6 C1 O5 118.0(5) .
C6 C1 C2 122.5(6) .
O5 C1 C2 119.5(6) .
C3 C2 C1 118.5(8) .
C3 C2 H2 120.7 .
C1 C2 H2 120.7 .
C2 C3 C4 120.9(9) .
C2 C3 H3 119.6 .
C4 C3 H3 119.6 .
C3 C4 C5 120.9(8) .
C3 C4 H4 119.6 .
C5 C4 H4 119.6 .
C6 C5 C4 119.5(8) .
C6 C5 H5 120.2 .
C4 C5 H5 120.2 .
C1 C6 C5 117.6(7) .
C1 C6 C7 127.2(5) .
C5 C6 C7 115.2(7) .
O2 C7 O1' 116.4(7) .
O2 C7 O1 114.1(9) .
O1' C7 O1 57.4(8) .
O2 C7 C6 121.9(6) .
O1' C7 C6 119.7(6) .
O1 C7 C6 107.7(9) .
O5 C8 C9 109.2(5) .
O5 C8 H8A 109.9 .
C9 C8 H8A 109.8 .
O5 C8 H8B 109.8 .
C9 C8 H8B 109.8 .
H8A C8 H8B 108.3 .
O4 C9 O3 124.3(7) .
O4 C9 C8 116.6(6) .
O3 C9 C8 119.1(6) .
N1 C10 C11 123.1(5) .
N1 C10 H10 118.4 .
C11 C10 H10 118.4 .
C10 C11 C12 120.5(5) .
C10 C11 H11 119.7 .
C12 C11 H11 119.7 .
C13 C12 C11 116.2(5) .
C13 C12 C22 121.3(5) 1_655
C11 C12 C22 122.5(5) 1_655
C14 C13 C12 119.9(5) .
C14 C13 H13 120.1 .
C12 C13 H13 120.1 .
N1 C14 C13 124.1(5) .
N1 C14 H14 118.0 .
C13 C14 H14 118.0 .
N2 C15 C16 123.7(5) .
N2 C15 H15 118.2 .
C16 C15 H15 118.2 .
C15 C16 C17 120.9(5) .
C15 C16 H16 119.6 .
C17 C16 H16 119.6 .
C18 C17 C16 114.9(5) .
C18 C17 C17 122.3(6) 3_565
C16 C17 C17 122.9(6) 3_565
C17 C18 C19 121.0(5) .
C17 C18 H18 119.5 .
C19 C18 H18 119.5 .
N2 C19 C18 122.9(5) .
N2 C19 H19 118.5 .
C18 C19 H19 118.5 .
N3 C20 C21 123.7(5) .
N3 C20 H20 118.2 .
C21 C20 H20 118.2 .
C20 C21 C22 120.1(5) .
C20 C21 H21 120.0 .
C22 C21 H21 120.0 .
C23 C22 C21 116.9(5) .
C23 C22 C12 122.3(5) 1_455
C21 C22 C12 120.8(5) 1_455
C24 C23 C22 119.3(5) .
C24 C23 H23 120(4) .
C22 C23 H23 121(4) .
N3 C24 C23 123.5(5) .
N3 C24 H24 118.2 .
C23 C24 H24 118.2 .
C14 N1 C10 116.1(5) .
C14 N1 Co1 121.7(3) .
C10 N1 Co1 122.2(3) .
C15 N2 C19 116.6(5) .
C15 N2 Co1 121.3(4) .
C19 N2 Co1 122.0(4) .
C20 N3 C24 116.5(5) .
C20 N3 Co1 124.3(4) .
C24 N3 Co1 119.0(3) .
C7 O2 Co1 137.8(4) .
C9 O3 Co1 121.5(4) .
C1 O5 C8 117.0(5) .
C1 O5 Co1 129.9(4) .
C8 O5 Co1 112.7(3) .
H6A O6 H6B 110.7 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2 1.938(4) .
Co1 O3 2.003(4) .
Co1 N2 2.099(4) .
Co1 N3 2.188(4) .
Co1 N1 2.189(4) .
Co1 O5 2.241(4) .
C1 C6 1.376(9) .
C1 O5 1.393(7) .
C1 C2 1.397(9) .
C2 C3 1.350(11) .
C2 H2 0.9300 .
C3 C4 1.352(13) .
C3 H3 0.9300 .
C4 C5 1.405(12) .
C4 H4 0.9300 .
C5 C6 1.381(9) .
C5 H5 0.9300 .
C6 C7 1.515(10) .
C7 O2 1.242(7) .
C7 O1' 1.331(10) .
C7 O1 1.335(16) .
C8 O5 1.436(7) .
C8 C9 1.514(9) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 O4 1.244(8) .
C9 O3 1.271(8) .
C10 N1 1.351(7) .
C10 C11 1.369(7) .
C10 H10 0.9300 .
C11 C12 1.395(7) .
C11 H11 0.9300 .
C12 C13 1.387(7) .
C12 C22 1.467(7) 1_655
C13 C14 1.375(7) .
C13 H13 0.9300 .
C14 N1 1.338(6) .
C14 H14 0.9300 .
C15 N2 1.317(7) .
C15 C16 1.369(8) .
C15 H15 0.9300 .
C16 C17 1.379(7) .
C16 H16 0.9300 .
C17 C18 1.376(7) .
C17 C17 1.465(9) 3_565
C18 C19 1.383(7) .
C18 H18 0.9300 .
C19 N2 1.320(7) .
C19 H19 0.9300 .
C20 N3 1.333(6) .
C20 C21 1.366(7) .
C20 H20 0.9300 .
C21 C22 1.395(8) .
C21 H21 0.9300 .
C22 C23 1.390(8) .
C22 C12 1.467(7) 1_455
C23 C24 1.375(7) .
C23 H23 0.89(6) .
C24 N3 1.358(7) .
C24 H24 0.9300 .
O6 H6A 0.8494 .
O6 H6B 0.8541 .
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
C6 C1 C2 C3 -2.4(11) . .
O5 C1 C2 C3 176.9(7) . .
C1 C2 C3 C4 2.8(13) . .
C2 C3 C4 C5 -3.0(15) . .
C3 C4 C5 C6 2.6(14) . .
O5 C1 C6 C5 -177.3(6) . .
C2 C1 C6 C5 2.1(10) . .
O5 C1 C6 C7 3.5(10) . .
C2 C1 C6 C7 -177.2(6) . .
C4 C5 C6 C1 -2.1(11) . .
C4 C5 C6 C7 177.2(7) . .
C1 C6 C7 O2 9.4(12) . .
C5 C6 C7 O2 -169.9(6) . .
C1 C6 C7 O1' -153.8(8) . .
C5 C6 C7 O1' 26.9(11) . .
C1 C6 C7 O1 144.2(12) . .
C5 C6 C7 O1 -35.1(13) . .
O5 C8 C9 O4 179.9(6) . .
O5 C8 C9 O3 0.5(9) . .
N1 C10 C11 C12 0.8(10) . .
C10 C11 C12 C13 2.9(9) . .
C10 C11 C12 C22 -176.3(6) . 1_655
C11 C12 C13 C14 -3.5(8) . .
C22 C12 C13 C14 175.7(5) 1_655 .
C12 C13 C14 N1 0.5(8) . .
N2 C15 C16 C17 -2.0(12) . .
C15 C16 C17 C18 0.5(10) . .
C15 C16 C17 C17 179.9(7) . 3_565
C16 C17 C18 C19 0.3(9) . .
C17 C17 C18 C19 -179.1(6) 3_565 .
C17 C18 C19 N2 0.3(10) . .
N3 C20 C21 C22 -1.5(8) . .
C20 C21 C22 C23 1.8(8) . .
C20 C21 C22 C12 -179.3(5) . 1_455
C21 C22 C23 C24 -0.7(8) . .
C12 C22 C23 C24 -179.5(5) 1_455 .
C22 C23 C24 N3 -0.9(8) . .
C13 C14 N1 C10 3.1(8) . .
C13 C14 N1 Co1 -175.2(4) . .
C11 C10 N1 C14 -3.7(9) . .
C11 C10 N1 Co1 174.5(5) . .
O2 Co1 N1 C14 3.2(4) . .
O3 Co1 N1 C14 161.6(4) . .
N2 Co1 N1 C14 -98.8(4) . .
N3 Co1 N1 C14 -81(3) . .
O5 Co1 N1 C14 85.8(4) . .
O2 Co1 N1 C10 -175.0(5) . .
O3 Co1 N1 C10 -16.6(5) . .
N2 Co1 N1 C10 83.1(5) . .
N3 Co1 N1 C10 101(3) . .
O5 Co1 N1 C10 -92.4(5) . .
C16 C15 N2 C19 2.5(10) . .
C16 C15 N2 Co1 -174.1(6) . .
C18 C19 N2 C15 -1.6(9) . .
C18 C19 N2 Co1 175.0(5) . .
O2 Co1 N2 C15 176.6(5) . .
O3 Co1 N2 C15 -2.0(5) . .
N3 Co1 N2 C15 88.0(5) . .
N1 Co1 N2 C15 -92.9(5) . .
O5 Co1 N2 C15 -22(2) . .
O2 Co1 N2 C19 0.2(4) . .
O3 Co1 N2 C19 -178.4(4) . .
N3 Co1 N2 C19 -88.5(4) . .
N1 Co1 N2 C19 90.7(4) . .
O5 Co1 N2 C19 161.6(17) . .
C21 C20 N3 C24 -0.1(8) . .
C21 C20 N3 Co1 174.6(4) . .
C23 C24 N3 C20 1.3(7) . .
C23 C24 N3 Co1 -173.6(4) . .
O2 Co1 N3 C20 147.6(4) . .
O3 Co1 N3 C20 -10.7(4) . .
N2 Co1 N3 C20 -110.4(4) . .
N1 Co1 N3 C20 -128(3) . .
O5 Co1 N3 C20 65.1(4) . .
O2 Co1 N3 C24 -37.9(4) . .
O3 Co1 N3 C24 163.8(4) . .
N2 Co1 N3 C24 64.1(4) . .
N1 Co1 N3 C24 46(3) . .
O5 Co1 N3 C24 -120.4(4) . .
O1' C7 O2 Co1 141.1(7) . .
O1 C7 O2 Co1 -154.8(11) . .
C6 C7 O2 Co1 -22.6(11) . .
O3 Co1 O2 C7 11.0(9) . .
N2 Co1 O2 C7 -165.2(7) . .
N3 Co1 O2 C7 -78.1(7) . .
N1 Co1 O2 C7 104.6(7) . .
O5 Co1 O2 C7 16.3(7) . .
O4 C9 O3 Co1 169.4(5) . .
C8 C9 O3 Co1 -11.2(8) . .
O2 Co1 O3 C9 17.5(7) . .
N2 Co1 O3 C9 -166.2(5) . .
N3 Co1 O3 C9 106.3(5) . .
N1 Co1 O3 C9 -76.1(5) . .
O5 Co1 O3 C9 12.1(4) . .
C6 C1 O5 C8 -177.7(6) . .
C2 C1 O5 C8 2.9(8) . .
C6 C1 O5 Co1 -6.1(8) . .
C2 C1 O5 Co1 174.6(4) . .
C9 C8 O5 C1 -178.4(5) . .
C9 C8 O5 Co1 8.5(7) . .
O2 Co1 O5 C1 -0.7(4) . .
O3 Co1 O5 C1 177.3(5) . .
N2 Co1 O5 C1 -162.3(16) . .
N3 Co1 O5 C1 88.0(5) . .
N1 Co1 O5 C1 -91.4(5) . .
O2 Co1 O5 C8 171.2(4) . .
O3 Co1 O5 C8 -10.8(4) . .
N2 Co1 O5 C8 10(2) . .
N3 Co1 O5 C8 -100.1(4) . .
N1 Co1 O5 C8 80.5(4) . .
