#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/24/8102455.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_8102455
loop_
_publ_author_name
'Taohai Li'
'Zhaowei Yan'
'Huifang Zeng'
'Feng Li'
_publ_section_title
;
 Crystal structure of
 monoaqua-bis((m-homophthalato-O,O',O'')-(1,10-phenanthroline)cobalt(II)),
 Co(H2O)(C12H8N2)(C9H6O4)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              411
_journal_volume                  224
_journal_year                    2009
_chemical_formula_moiety         'C42 H32 Co2 N4 O10'
_chemical_formula_sum            'C42 H32 Co2 N4 O10'
_chemical_formula_weight         870.58
_chemical_name_systematic
; 
bis((μ-homophthalato-O,O',O'')-aqua-(1,10-phenanthroline)-cobalt(ii))
;
_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
_audit_update_record
;
2009-04-16 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 123.070(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8186(6)
_cell_length_b                   19.1991(11)
_cell_length_c                   13.0989(8)
_cell_measurement_reflns_used    4540
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.1582
_cell_volume                     1858.5(2)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2001)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2001)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2001)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0204
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14190
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.16
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.961
_exptl_absorpt_correction_T_max  0.767
_exptl_absorpt_correction_T_min  0.653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Multi-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.4500
_exptl_crystal_size_mid          0.4000
_exptl_crystal_size_min          0.2800
_refine_diff_density_max         0.384
_refine_diff_density_min         -0.287
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4251
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0371
_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)+(0.0430P)²+0.7214P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.0915
_reflns_number_gt                3829
_reflns_number_total             4251
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2633.cff
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               8102455
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 0.05946(3) 0.455056(13) 0.32411(2) 0.03351(9) Uani 1 1 d . . .
O1 O 0.23195(18) 0.37255(8) 0.39597(13) 0.0428(3) Uani 1 1 d . . .
N1 N -0.0276(2) 0.42536(9) 0.14582(14) 0.0364(3) Uani 1 1 d . . .
C1 C 0.2770(3) 0.33899(9) 0.49178(17) 0.0347(4) Uani 1 1 d . . .
O2 O 0.1712(2) 0.32612(9) 0.52491(15) 0.0523(4) Uani 1 1 d . . .
N2 N -0.1466(2) 0.53058(9) 0.21759(15) 0.0379(4) Uani 1 1 d . . .
C2 C 0.4681(3) 0.31115(9) 0.56856(17) 0.0329(4) Uani 1 1 d . . .
O3 O 0.80511(19) 0.48155(7) 0.50624(13) 0.0423(3) Uani 1 1 d . . .
C3 C 0.5014(3) 0.26118(10) 0.65603(19) 0.0434(5) Uani 1 1 d . . .
H3 H 0.4057 0.2475 0.6649 0.052 Uiso 1 1 calc R . .
O4 O 0.7358(2) 0.46980(7) 0.64148(13) 0.0424(3) Uani 1 1 d . . .
C4 C 0.6693(3) 0.23124(11) 0.7296(2) 0.0522(6) Uani 1 1 d . . .
H4 H 0.6896 0.1983 0.7900 0.063 Uiso 1 1 calc R . .
C5 C 0.8074(3) 0.24915(12) 0.7153(2) 0.0566(6) Uani 1 1 d . . .
H5 H 0.9225 0.2275 0.7638 0.068 Uiso 1 1 calc R . .
C6 C 0.7777(3) 0.29862(12) 0.6303(2) 0.0509(5) Uani 1 1 d . . .
H6 H 0.8742 0.3107 0.6213 0.061 Uiso 1 1 calc R . .
C7 C 0.6101(3) 0.33177(10) 0.55657(17) 0.0362(4) Uani 1 1 d . . .
C8 C 0.6000(3) 0.38935(11) 0.47415(18) 0.0417(4) Uani 1 1 d . . .
H8A H 0.6369 0.3706 0.4204 0.050 Uiso 1 1 calc R . .
H8B H 0.4733 0.4056 0.4218 0.050 Uiso 1 1 calc R . .
C9 C 0.7199(2) 0.45035(9) 0.54516(17) 0.0329(4) Uani 1 1 d . . .
C10 C 0.0331(3) 0.37260(11) 0.1121(2) 0.0445(5) Uani 1 1 d . . .
H10 H 0.1246 0.3434 0.1732 0.053 Uiso 1 1 calc R . .
C11 C -0.0325(3) 0.35845(12) -0.0098(2) 0.0524(5) Uani 1 1 d . . .
H11 H 0.0137 0.3201 -0.0306 0.063 Uiso 1 1 calc R . .
C12 C -0.1635(3) 0.40009(12) -0.0991(2) 0.0493(5) Uani 1 1 d . . .
H12 H -0.2088 0.3909 -0.1822 0.059 Uiso 1 1 calc R . .
C13 C -0.2308(3) 0.45656(11) -0.06712(19) 0.0404(4) Uani 1 1 d . . .
C14 C -0.3704(3) 0.50229(12) -0.15381(19) 0.0486(5) Uani 1 1 d . . .
H14 H -0.4201 0.4958 -0.2383 0.058 Uiso 1 1 calc R . .
C15 C -0.4322(3) 0.55445(12) -0.1172(2) 0.0492(5) Uani 1 1 d . . .
H15 H -0.5266 0.5835 -0.1767 0.059 Uiso 1 1 calc R . .
C16 C -0.3595(3) 0.56725(11) 0.00880(19) 0.0405(4) Uani 1 1 d . . .
C17 C -0.4162(3) 0.62124(12) 0.0533(2) 0.0502(5) Uani 1 1 d . . .
H17 H -0.5083 0.6525 -0.0018 0.060 Uiso 1 1 calc R . .
C18 C -0.3388(3) 0.62852(12) 0.1756(2) 0.0540(6) Uani 1 1 d . . .
H18 H -0.3757 0.6651 0.2063 0.065 Uiso 1 1 calc R . .
H1WA H -0.0286 0.3818 0.4255 0.065 Uiso 1 1 d R . .
H1WB H -0.1357 0.4379 0.4167 0.065 Uiso 1 1 d R . .
C19 C -0.2050(3) 0.58189(12) 0.2553(2) 0.0480(5) Uani 1 1 d . . .
H19 H -0.1535 0.5871 0.3402 0.058 Uiso 1 1 calc R . .
C20 C -0.1585(2) 0.46652(10) 0.05667(17) 0.0331(4) Uani 1 1 d . . .
C21 C -0.2223(2) 0.52333(10) 0.09656(17) 0.0344(4) Uani 1 1 d . . .
O1W O -0.10444(18) 0.40843(7) 0.37243(13) 0.0400(3) 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'
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
O1 Co1 O1W 89.56(6) . . ?
O1 Co1 N1 91.74(6) . . ?
O1W Co1 N1 109.27(6) . . ?
O1 Co1 N2 169.21(6) . . ?
O1W Co1 N2 90.36(6) . . ?
N1 Co1 N2 78.11(6) . . ?
O1 Co1 O4 95.43(6) . 3_666 ?
O1W Co1 O4 150.35(5) . 3_666 ?
N1 Co1 O4 99.79(6) . 3_666 ?
N2 Co1 O4 89.95(6) . 3_666 ?
O1 Co1 O3 96.05(6) . 3_666 ?
O1W Co1 O3 90.86(5) . 3_666 ?
N1 Co1 O3 158.49(6) . 3_666 ?
N2 Co1 O3 94.74(6) . 3_666 ?
O4 Co1 O3 59.58(5) 3_666 3_666 ?
C1 O1 Co1 127.23(12) . . ?
C10 N1 C20 117.67(17) . . ?
C10 N1 Co1 127.43(14) . . ?
C20 N1 Co1 114.89(12) . . ?
O2 C1 O1 123.71(18) . . ?
O2 C1 C2 118.12(17) . . ?
O1 C1 C2 118.15(17) . . ?
C19 N2 C21 118.04(18) . . ?
C19 N2 Co1 128.67(15) . . ?
C21 N2 Co1 113.30(13) . . ?
C3 C2 C7 119.03(18) . . ?
C3 C2 C1 116.56(18) . . ?
C7 C2 C1 124.41(17) . . ?
C9 O3 Co1 88.26(11) . 3_666 ?
C4 C3 C2 121.7(2) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C9 O4 Co1 91.78(11) . 3_666 ?
C5 C4 C3 119.7(2) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 119.5(2) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C7 122.3(2) . . ?
C5 C6 H6 118.9 . . ?
C7 C6 H6 118.9 . . ?
C2 C7 C6 117.73(19) . . ?
C2 C7 C8 125.33(17) . . ?
C6 C7 C8 116.88(19) . . ?
C9 C8 C7 112.22(16) . . ?
C9 C8 H8A 109.2 . . ?
C7 C8 H8A 109.2 . . ?
C9 C8 H8B 109.2 . . ?
C7 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
O4 C9 O3 120.10(18) . . ?
O4 C9 C8 120.64(17) . . ?
O3 C9 C8 119.25(17) . . ?
N1 C10 C11 122.6(2) . . ?
N1 C10 H10 118.7 . . ?
C11 C10 H10 118.7 . . ?
C12 C11 C10 119.6(2) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C13 119.6(2) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C20 C13 C12 116.91(19) . . ?
C20 C13 C14 119.22(19) . . ?
C12 C13 C14 123.9(2) . . ?
C15 C14 C13 120.9(2) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C14 C15 C16 121.7(2) . . ?
C14 C15 H15 119.1 . . ?
C16 C15 H15 119.1 . . ?
C21 C16 C17 116.39(19) . . ?
C21 C16 C15 119.0(2) . . ?
C17 C16 C15 124.6(2) . . ?
C18 C17 C16 119.9(2) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 119.4(2) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
N2 C19 C18 122.8(2) . . ?
N2 C19 H19 118.6 . . ?
C18 C19 H19 118.6 . . ?
N1 C20 C13 123.66(18) . . ?
N1 C20 C21 116.27(17) . . ?
C13 C20 C21 120.08(17) . . ?
N2 C21 C16 123.47(18) . . ?
N2 C21 C20 117.41(17) . . ?
C16 C21 C20 119.12(18) . . ?
Co1 O1W H1WA 98.3 . . ?
Co1 O1W H1WB 114.3 . . ?
H1WA O1W H1WB 103.0 . . ?
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 O1 2.0363(14) . ?
Co1 O1W 2.0712(14) . ?
Co1 N1 2.1006(16) . ?
Co1 N2 2.1410(16) . ?
Co1 O4 2.1579(15) 3_666 ?
Co1 O3 2.2247(14) 3_666 ?
O1 C1 1.266(2) . ?
N1 C10 1.329(3) . ?
N1 C20 1.360(2) . ?
C1 O2 1.249(2) . ?
C1 C2 1.513(3) . ?
N2 C19 1.326(3) . ?
N2 C21 1.350(2) . ?
C2 C3 1.397(3) . ?
C2 C7 1.401(3) . ?
O3 C9 1.266(2) . ?
O3 Co1 2.2247(14) 3_666 ?
C3 C4 1.377(3) . ?
C3 H3 0.9500 . ?
O4 C9 1.248(2) . ?
O4 Co1 2.1579(15) 3_666 ?
C4 C5 1.373(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.376(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.402(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.514(3) . ?
C8 C9 1.510(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C10 C11 1.396(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.366(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.405(3) . ?
C12 H12 0.9500 . ?
C13 C20 1.394(3) . ?
C13 C14 1.432(3) . ?
C14 C15 1.347(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.428(3) . ?
C15 H15 0.9500 . ?
C16 C21 1.407(3) . ?
C16 C17 1.408(3) . ?
C17 C18 1.364(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.392(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.449(3) . ?
O1W H1WA 0.8272 . ?
O1W H1WB 0.9527 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O2 0.83 1.85 2.664(2) 165.7 .
O1W H1WB O3 0.95 1.74 2.6842(19) 172.3 1_455
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
O1W Co1 O1 C1 -38.35(17) . . . . ?
N1 Co1 O1 C1 -147.62(17) . . . . ?
N2 Co1 O1 C1 -128.0(3) . . . . ?
O4 Co1 O1 C1 112.37(16) 3_666 . . . ?
O3 Co1 O1 C1 52.46(17) 3_666 . . . ?
O1 Co1 N1 C10 -3.41(18) . . . . ?
O1W Co1 N1 C10 -93.55(18) . . . . ?
N2 Co1 N1 C10 -179.72(18) . . . . ?
O4 Co1 N1 C10 92.41(18) 3_666 . . . ?
O3 Co1 N1 C10 108.0(2) 3_666 . . . ?
O1 Co1 N1 C20 177.98(13) . . . . ?
O1W Co1 N1 C20 87.83(13) . . . . ?
N2 Co1 N1 C20 1.66(13) . . . . ?
O4 Co1 N1 C20 -86.20(13) 3_666 . . . ?
O3 Co1 N1 C20 -70.6(2) 3_666 . . . ?
Co1 O1 C1 O2 36.5(3) . . . . ?
Co1 O1 C1 C2 -145.29(13) . . . . ?
O1 Co1 N2 C19 159.0(3) . . . . ?
O1W Co1 N2 C19 69.42(19) . . . . ?
N1 Co1 N2 C19 179.0(2) . . . . ?
O4 Co1 N2 C19 -80.93(19) 3_666 . . . ?
O3 Co1 N2 C19 -21.47(19) 3_666 . . . ?
O1 Co1 N2 C21 -21.6(4) . . . . ?
O1W Co1 N2 C21 -111.15(13) . . . . ?
N1 Co1 N2 C21 -1.53(13) . . . . ?
O4 Co1 N2 C21 98.49(13) 3_666 . . . ?
O3 Co1 N2 C21 157.96(13) 3_666 . . . ?
O2 C1 C2 C3 13.0(3) . . . . ?
O1 C1 C2 C3 -165.33(18) . . . . ?
O2 C1 C2 C7 -167.53(18) . . . . ?
O1 C1 C2 C7 14.2(3) . . . . ?
C7 C2 C3 C4 -0.7(3) . . . . ?
C1 C2 C3 C4 178.81(18) . . . . ?
C2 C3 C4 C5 -1.8(3) . . . . ?
C3 C4 C5 C6 2.2(4) . . . . ?
C4 C5 C6 C7 -0.2(4) . . . . ?
C3 C2 C7 C6 2.7(3) . . . . ?
C1 C2 C7 C6 -176.82(18) . . . . ?
C3 C2 C7 C8 -174.51(18) . . . . ?
C1 C2 C7 C8 6.0(3) . . . . ?
C5 C6 C7 C2 -2.3(3) . . . . ?
C5 C6 C7 C8 175.1(2) . . . . ?
C2 C7 C8 C9 113.3(2) . . . . ?
C6 C7 C8 C9 -63.9(2) . . . . ?
Co1 O4 C9 O3 -5.30(18) 3_666 . . . ?
Co1 O4 C9 C8 174.36(15) 3_666 . . . ?
Co1 O3 C9 O4 5.14(17) 3_666 . . . ?
Co1 O3 C9 C8 -174.53(15) 3_666 . . . ?
C7 C8 C9 O4 -38.2(3) . . . . ?
C7 C8 C9 O3 141.45(18) . . . . ?
C20 N1 C10 C11 -0.1(3) . . . . ?
Co1 N1 C10 C11 -178.63(16) . . . . ?
N1 C10 C11 C12 0.3(4) . . . . ?
C10 C11 C12 C13 -0.1(3) . . . . ?
C11 C12 C13 C20 -0.3(3) . . . . ?
C11 C12 C13 C14 -178.7(2) . . . . ?
C20 C13 C14 C15 -0.1(3) . . . . ?
C12 C13 C14 C15 178.3(2) . . . . ?
C13 C14 C15 C16 1.3(4) . . . . ?
C14 C15 C16 C21 -1.3(3) . . . . ?
C14 C15 C16 C17 179.2(2) . . . . ?
C21 C16 C17 C18 -0.1(3) . . . . ?
C15 C16 C17 C18 179.4(2) . . . . ?
C16 C17 C18 C19 -0.5(4) . . . . ?
C21 N2 C19 C18 -0.7(3) . . . . ?
Co1 N2 C19 C18 178.72(17) . . . . ?
C17 C18 C19 N2 1.0(4) . . . . ?
C10 N1 C20 C13 -0.4(3) . . . . ?
Co1 N1 C20 C13 178.35(14) . . . . ?
C10 N1 C20 C21 179.68(17) . . . . ?
Co1 N1 C20 C21 -1.6(2) . . . . ?
C12 C13 C20 N1 0.6(3) . . . . ?
C14 C13 C20 N1 179.05(18) . . . . ?
C12 C13 C20 C21 -179.50(18) . . . . ?
C14 C13 C20 C21 -1.0(3) . . . . ?
C19 N2 C21 C16 0.0(3) . . . . ?
Co1 N2 C21 C16 -179.54(15) . . . . ?
C19 N2 C21 C20 -179.30(18) . . . . ?
Co1 N2 C21 C20 1.2(2) . . . . ?
C17 C16 C21 N2 0.4(3) . . . . ?
C15 C16 C21 N2 -179.12(19) . . . . ?
C17 C16 C21 C20 179.68(18) . . . . ?
C15 C16 C21 C20 0.1(3) . . . . ?
N1 C20 C21 N2 0.2(2) . . . . ?
C13 C20 C21 N2 -179.70(17) . . . . ?
N1 C20 C21 C16 -179.07(17) . . . . ?
C13 C20 C21 C16 1.0(3) . . . . ?
