#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:52:57 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180159 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/55/7105594.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_7105594
loop_
_publ_author_name
'Wu, Jin-Ji'
'Cao, Man-Li'
'Ye, Bao-Hui'
_publ_section_title
;
 Spontaneous chiral resolution of mer-[Co(II)(N,N,O-L3)2] enantiomers
 mediated by pi-pi interactions.
;
_journal_issue                   21
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3687
_journal_page_last               3689
_journal_paper_doi               10.1039/c002167a
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C36 H20 Cl4 Co N6 O3'
_chemical_formula_weight         785.33
_chemical_name_systematic
;
?
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   28.4649(7)
_cell_length_b                   28.4649(7)
_cell_length_c                   21.9509(5)
_cell_measurement_reflns_used    3344
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.03
_cell_volume                     15402.9(6)
_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      123(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            16027
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_T_max  0.8467
_exptl_absorpt_correction_T_min  0.7527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7145
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.172
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         3344
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0464
_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)+(0.0949P)²+26.7011P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1361
_refine_ls_wR_factor_ref         0.1430
_reflns_number_gt                2909
_reflns_number_total             3344
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002167a.txt
_cod_data_source_block           complex_2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to 'constr'
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      R-3c
_cod_database_code               7105594
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'-x, -x+y, -z+1/2'
'x-y, -y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'x, x-y, z-1/2'
'-x+y, y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
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 0.6667 0.722674(16) 0.0833 0.02943(18) Uani 1 2 d S . .
Cl1 Cl 0.88498(4) 1.00899(3) 0.08286(5) 0.0653(3) Uani 1 1 d . . .
Cl2 Cl 0.73032(3) 0.86802(3) -0.06730(3) 0.0430(2) Uani 1 1 d . . .
O1 O 0.71204(8) 0.78784(7) 0.02640(8) 0.0346(4) Uani 1 1 d . . .
N1 N 0.65461(9) 0.65703(9) 0.14516(10) 0.0343(5) Uani 1 1 d . . .
N2 N 0.73592(9) 0.75549(8) 0.13429(9) 0.0310(5) Uani 1 1 d . . .
N3 N 0.82062(9) 0.80068(9) 0.16621(10) 0.0347(5) Uani 1 1 d . . .
C1 C 0.61016(13) 0.60745(11) 0.14785(14) 0.0434(7) Uani 1 1 d . . .
H1A H 0.5801 0.5999 0.1226 0.052 Uiso 1 1 calc R . .
C2 C 0.60648(15) 0.56704(12) 0.18586(15) 0.0518(8) Uani 1 1 d . . .
H2A H 0.5746 0.5323 0.1865 0.062 Uiso 1 1 calc R . .
C3 C 0.64999(14) 0.57812(13) 0.22287(14) 0.0494(8) Uani 1 1 d . . .
H3A H 0.6484 0.5509 0.2493 0.059 Uiso 1 1 calc R . .
C5 C 0.69733(12) 0.66773(11) 0.18129(12) 0.0350(6) Uani 1 1 d . . .
C6 C 0.74327(11) 0.72251(11) 0.17360(11) 0.0331(6) Uani 1 1 d . . .
C7 C 0.79582(12) 0.74975(11) 0.19502(12) 0.0358(6) Uani 1 1 d . . .
C8 C 0.82752(13) 0.73797(13) 0.23560(13) 0.0442(7) Uani 1 1 d . . .
H8A H 0.8114 0.7047 0.2574 0.053 Uiso 1 1 calc R . .
C9 C 0.88099(15) 0.77457(15) 0.24289(15) 0.0520(8) Uani 1 1 d . . .
H9A H 0.9023 0.7669 0.2701 0.062 Uiso 1 1 calc R . .
C10 C 0.90534(13) 0.82416(15) 0.21020(15) 0.0506(8) Uani 1 1 d . . .
H10A H 0.9430 0.8490 0.2151 0.061 Uiso 1 1 calc R . .
C11 C 0.87599(12) 0.83658(13) 0.17242(14) 0.0429(7) Uani 1 1 d . . .
H11A H 0.8929 0.8696 0.1501 0.051 Uiso 1 1 calc R . .
C12 C 0.78173(11) 0.80266(11) 0.12987(12) 0.0327(6) Uani 1 1 d . . .
C13 C 0.78832(11) 0.84694(11) 0.09089(12) 0.0332(6) Uani 1 1 d . . .
C14 C 0.82800(12) 0.90110(11) 0.10384(13) 0.0381(6) Uani 1 1 d . . .
H14A H 0.8490 0.9092 0.1400 0.046 Uiso 1 1 calc R . .
C15 C 0.83651(12) 0.94216(11) 0.06481(14) 0.0420(7) Uani 1 1 d . . .
C16 C 0.80704(12) 0.93229(11) 0.01193(13) 0.0386(6) Uani 1 1 d . . .
H16A H 0.8144 0.9608 -0.0157 0.046 Uiso 1 1 calc R . .
C17 C 0.76686(12) 0.88025(11) 0.00029(12) 0.0347(6) Uani 1 1 d . . .
C18 C 0.75257(11) 0.83462(10) 0.03935(12) 0.0313(5) Uani 1 1 d . . .
C4 C 0.69590(14) 0.62881(12) 0.22141(13) 0.0431(7) Uani 1 1 d . . .
H4A H 0.7259 0.6371 0.2471 0.052 Uiso 1 1 calc R . .
O1W O 0.0000 0.0000 0.5000 0.315(13) Uiso 1 6 d S . .
O2W O -0.0159(15) -0.0309(10) 0.2826(12) 0.154(12) Uiso 0.17 1 d P . 1
O2W' O 0.0000 0.0000 0.3786(13) 0.228(12) Uiso 0.50 3 d SP 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'
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'
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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Co1 N2 177.11(12) 17_654 . ?
N2 Co1 O1 83.89(8) 17_654 17_654 ?
N2 Co1 O1 97.81(8) . 17_654 ?
N2 Co1 O1 97.81(8) 17_654 . ?
N2 Co1 O1 83.89(8) . . ?
O1 Co1 O1 108.42(11) 17_654 . ?
N2 Co1 N1 101.90(8) 17_654 . ?
N2 Co1 N1 75.80(8) . . ?
O1 Co1 N1 90.30(8) 17_654 . ?
O1 Co1 N1 154.14(8) . . ?
N2 Co1 N1 75.80(8) 17_654 17_654 ?
N2 Co1 N1 101.90(8) . 17_654 ?
O1 Co1 N1 154.14(8) 17_654 17_654 ?
O1 Co1 N1 90.30(8) . 17_654 ?
N1 Co1 N1 78.61(11) . 17_654 ?
C18 O1 Co1 129.11(17) . . ?
C1 N1 C5 118.6(2) . . ?
C1 N1 Co1 125.8(2) . . ?
C5 N1 Co1 115.53(17) . . ?
C12 N2 C6 109.3(2) . . ?
C12 N2 Co1 131.17(18) . . ?
C6 N2 Co1 118.43(18) . . ?
C12 N3 C11 131.3(2) . . ?
C12 N3 C7 107.5(2) . . ?
C11 N3 C7 120.9(2) . . ?
N1 C1 C2 122.7(3) . . ?
N1 C1 H1A 118.7 . . ?
C2 C1 H1A 118.7 . . ?
C3 C2 C1 118.7(3) . . ?
C3 C2 H2A 120.7 . . ?
C1 C2 H2A 120.7 . . ?
C2 C3 C4 119.9(3) . . ?
C2 C3 H3A 120.1 . . ?
C4 C3 H3A 120.1 . . ?
N1 C5 C4 121.6(3) . . ?
N1 C5 C6 113.4(2) . . ?
C4 C5 C6 125.0(3) . . ?
N2 C6 C7 109.0(2) . . ?
N2 C6 C5 116.4(2) . . ?
C7 C6 C5 134.6(3) . . ?
C6 C7 N3 105.7(2) . . ?
C6 C7 C8 136.0(3) . . ?
N3 C7 C8 118.3(3) . . ?
C9 C8 C7 119.5(3) . . ?
C9 C8 H8A 120.2 . . ?
C7 C8 H8A 120.2 . . ?
C8 C9 C10 120.5(3) . . ?
C8 C9 H9A 119.8 . . ?
C10 C9 H9A 119.8 . . ?
C11 C10 C9 121.0(3) . . ?
C11 C10 H10A 119.5 . . ?
C9 C10 H10A 119.5 . . ?
C10 C11 N3 119.5(3) . . ?
C10 C11 H11A 120.3 . . ?
N3 C11 H11A 120.3 . . ?
N2 C12 N3 108.5(2) . . ?
N2 C12 C13 123.7(2) . . ?
N3 C12 C13 127.8(2) . . ?
C14 C13 C18 120.4(2) . . ?
C14 C13 C12 120.9(3) . . ?
C18 C13 C12 118.7(2) . . ?
C15 C14 C13 120.6(3) . . ?
C15 C14 H14A 119.7 . . ?
C13 C14 H14A 119.7 . . ?
C14 C15 C16 121.6(3) . . ?
C14 C15 Cl1 119.6(2) . . ?
C16 C15 Cl1 118.8(2) . . ?
C17 C16 C15 118.2(3) . . ?
C17 C16 H16A 120.9 . . ?
C15 C16 H16A 120.9 . . ?
C16 C17 C18 125.0(3) . . ?
C16 C17 Cl2 117.8(2) . . ?
C18 C17 Cl2 117.2(2) . . ?
O1 C18 C17 120.5(2) . . ?
O1 C18 C13 125.8(2) . . ?
C17 C18 C13 113.7(2) . . ?
C3 C4 C5 118.7(3) . . ?
C3 C4 H4A 120.7 . . ?
C5 C4 H4A 120.7 . . ?
O2W O2W O2W 60.000(8) 2 3 ?
O2W O2W O2W 90.4(14) 2 4 ?
O2W O2W O2W 67(3) 3 4 ?
O2W O2W O2W 65(3) 2 5 ?
O2W O2W O2W 89.6(15) 3 5 ?
O2W O2W O2W 48(2) 4 5 ?
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
Co1 N2 2.042(2) 17_654 ?
Co1 N2 2.042(2) . ?
Co1 O1 2.0676(18) 17_654 ?
Co1 O1 2.0677(18) . ?
Co1 N1 2.193(2) . ?
Co1 N1 2.193(2) 17_654 ?
Cl1 C15 1.748(3) . ?
Cl2 C17 1.744(3) . ?
O1 C18 1.284(3) . ?
N1 C1 1.346(4) . ?
N1 C5 1.353(4) . ?
N2 C12 1.327(3) . ?
N2 C6 1.366(3) . ?
N3 C12 1.388(3) . ?
N3 C11 1.392(4) . ?
N3 C7 1.406(4) . ?
C1 C2 1.382(4) . ?
C1 H1A 0.9500 . ?
C2 C3 1.379(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.380(5) . ?
C3 H3A 0.9500 . ?
C5 C4 1.400(4) . ?
C5 C6 1.460(4) . ?
C6 C7 1.379(4) . ?
C7 C8 1.422(4) . ?
C8 C9 1.357(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.418(5) . ?
C9 H9A 0.9500 . ?
C10 C11 1.344(5) . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C12 C13 1.456(4) . ?
C13 C14 1.411(4) . ?
C13 C18 1.443(4) . ?
C14 C15 1.370(4) . ?
C14 H14A 0.9500 . ?
C15 C16 1.376(4) . ?
C16 C17 1.369(4) . ?
C16 H16A 0.9500 . ?
C17 C18 1.435(4) . ?
C4 H4A 0.9500 . ?
O2W O2W 1.32(4) 2 ?
O2W O2W 1.32(4) 3 ?
O2W O2W 1.61(6) 4 ?
O2W O2W 1.63(6) 5 ?
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
N2 Co1 O1 C18 155.8(2) 17_654 . . . ?
N2 Co1 O1 C18 -26.6(2) . . . . ?
O1 Co1 O1 C18 69.6(2) 17_654 . . . ?
N1 Co1 O1 C18 -64.7(3) . . . . ?
N1 Co1 O1 C18 -128.5(2) 17_654 . . . ?
N2 Co1 N1 C1 -3.2(2) 17_654 . . . ?
N2 Co1 N1 C1 178.6(2) . . . . ?
O1 Co1 N1 C1 80.7(2) 17_654 . . . ?
O1 Co1 N1 C1 -142.0(2) . . . . ?
N1 Co1 N1 C1 -75.8(2) 17_654 . . . ?
N2 Co1 N1 C5 173.66(18) 17_654 . . . ?
N2 Co1 N1 C5 -4.54(18) . . . . ?
O1 Co1 N1 C5 -102.52(18) 17_654 . . . ?
O1 Co1 N1 C5 34.8(3) . . . . ?
N1 Co1 N1 C5 101.0(2) 17_654 . . . ?
N2 Co1 N2 C12 135.5(2) 17_654 . . . ?
O1 Co1 N2 C12 -98.5(2) 17_654 . . . ?
O1 Co1 N2 C12 9.3(2) . . . . ?
N1 Co1 N2 C12 173.1(2) . . . . ?
N1 Co1 N2 C12 98.3(2) 17_654 . . . ?
N2 Co1 N2 C6 -31.26(18) 17_654 . . . ?
O1 Co1 N2 C6 94.73(18) 17_654 . . . ?
O1 Co1 N2 C6 -157.45(19) . . . . ?
N1 Co1 N2 C6 6.41(18) . . . . ?
N1 Co1 N2 C6 -68.43(19) 17_654 . . . ?
C5 N1 C1 C2 -0.2(4) . . . . ?
Co1 N1 C1 C2 176.5(2) . . . . ?
N1 C1 C2 C3 0.5(5) . . . . ?
C1 C2 C3 C4 0.1(5) . . . . ?
C1 N1 C5 C4 -0.7(4) . . . . ?
Co1 N1 C5 C4 -177.8(2) . . . . ?
C1 N1 C5 C6 179.2(2) . . . . ?
Co1 N1 C5 C6 2.1(3) . . . . ?
C12 N2 C6 C7 0.0(3) . . . . ?
Co1 N2 C6 C7 169.44(17) . . . . ?
C12 N2 C6 C5 -177.0(2) . . . . ?
Co1 N2 C6 C5 -7.5(3) . . . . ?
N1 C5 C6 N2 3.2(3) . . . . ?
C4 C5 C6 N2 -176.9(2) . . . . ?
N1 C5 C6 C7 -172.8(3) . . . . ?
C4 C5 C6 C7 7.1(5) . . . . ?
N2 C6 C7 N3 -1.0(3) . . . . ?
C5 C6 C7 N3 175.2(3) . . . . ?
N2 C6 C7 C8 -179.8(3) . . . . ?
C5 C6 C7 C8 -3.6(5) . . . . ?
C12 N3 C7 C6 1.5(3) . . . . ?
C11 N3 C7 C6 -172.8(2) . . . . ?
C12 N3 C7 C8 -179.4(2) . . . . ?
C11 N3 C7 C8 6.2(4) . . . . ?
C6 C7 C8 C9 175.3(3) . . . . ?
N3 C7 C8 C9 -3.5(4) . . . . ?
C7 C8 C9 C10 -0.3(5) . . . . ?
C8 C9 C10 C11 1.4(5) . . . . ?
C9 C10 C11 N3 1.3(5) . . . . ?
C12 N3 C11 C10 -178.1(3) . . . . ?
C7 N3 C11 C10 -5.2(4) . . . . ?
C6 N2 C12 N3 1.0(3) . . . . ?
Co1 N2 C12 N3 -166.64(17) . . . . ?
C6 N2 C12 C13 178.9(2) . . . . ?
Co1 N2 C12 C13 11.3(4) . . . . ?
C11 N3 C12 N2 172.0(3) . . . . ?
C7 N3 C12 N2 -1.6(3) . . . . ?
C11 N3 C12 C13 -5.8(4) . . . . ?
C7 N3 C12 C13 -179.4(2) . . . . ?
N2 C12 C13 C14 155.6(3) . . . . ?
N3 C12 C13 C14 -26.9(4) . . . . ?
N2 C12 C13 C18 -22.9(4) . . . . ?
N3 C12 C13 C18 154.6(3) . . . . ?
C18 C13 C14 C15 -6.0(4) . . . . ?
C12 C13 C14 C15 175.5(3) . . . . ?
C13 C14 C15 C16 -0.1(4) . . . . ?
C13 C14 C15 Cl1 178.7(2) . . . . ?
C14 C15 C16 C17 2.9(4) . . . . ?
Cl1 C15 C16 C17 -175.9(2) . . . . ?
C15 C16 C17 C18 0.4(4) . . . . ?
C15 C16 C17 Cl2 -179.2(2) . . . . ?
Co1 O1 C18 C17 -158.09(18) . . . . ?
Co1 O1 C18 C13 23.7(4) . . . . ?
C16 C17 C18 O1 175.7(2) . . . . ?
Cl2 C17 C18 O1 -4.7(3) . . . . ?
C16 C17 C18 C13 -5.9(4) . . . . ?
Cl2 C17 C18 C13 173.70(18) . . . . ?
C14 C13 C18 O1 -173.3(2) . . . . ?
C12 C13 C18 O1 5.2(4) . . . . ?
C14 C13 C18 C17 8.4(3) . . . . ?
C12 C13 C18 C17 -173.0(2) . . . . ?
C2 C3 C4 C5 -0.9(4) . . . . ?
N1 C5 C4 C3 1.3(4) . . . . ?
C6 C5 C4 C3 -178.6(3) . . . . ?
