#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/24/1512413.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_1512413
loop_
_publ_author_name
'Rui-hong Zhang'
'Qing-lun Wang'
'Guang-ming Yang'
_publ_section_title
;
 Synthesis and crystal structures of the first cobalt complexes of
 macrocyclic oxamido
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              178
_journal_page_last               183
_journal_paper_doi               10.1016/j.ica.2012.04.022
_journal_volume                  390
_journal_year                    2012
_chemical_formula_moiety         'C20 H20 Cd0.50 Co N10 O3'
_chemical_formula_sum            'C20 H20 Cd0.5 Co N10 O3'
_chemical_formula_weight         563.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.967(5)
_cell_angle_beta                 95.629(9)
_cell_angle_gamma                104.336(7)
_cell_formula_units_Z            2
_cell_length_a                   8.713(4)
_cell_length_b                   9.714(5)
_cell_length_c                   13.316(6)
_cell_measurement_reflns_used    3458
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      2.2
_cell_volume                     1071.1(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'Rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10913
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    1.332
_exptl_absorpt_correction_T_max  0.8151
_exptl_absorpt_correction_T_min  0.7765
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.521
_refine_diff_density_min         -0.428
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         3775
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0252
_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)+(0.0337P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0592
_refine_ls_wR_factor_ref         0.0610
_reflns_number_gt                3299
_reflns_number_total             3775
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2012-390-178-183-3.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        1071.1(8)
_cod_original_formula_sum        'C20 H20 Cd0.50 Co N10 O3'
_cod_database_code               1512413
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Cd1 Cd 0.0000 0.0000 0.0000 0.01239(8) Uani 1 2 d S
Co1 Co 0.56513(3) 0.25794(3) 0.24015(2) 0.01147(9) Uani 1 1 d .
N1 N 0.3890(2) 0.09865(18) 0.24721(14) 0.0124(4) Uani 1 1 d .
N2 N 0.7164(2) 0.1881(2) 0.31892(15) 0.0158(4) Uani 1 1 d .
N3 N 0.7416(2) 0.40828(19) 0.21787(14) 0.0144(4) Uani 1 1 d .
N4 N 0.4126(2) 0.32083(18) 0.15892(14) 0.0113(4) Uani 1 1 d .
N5 N 0.5341(2) 0.3804(2) 0.36187(15) 0.0180(4) Uani 1 1 d .
N6 N 0.3963(3) 0.3713(2) 0.37143(15) 0.0233(5) Uani 1 1 d .
N7 N 0.2646(3) 0.3672(3) 0.38162(18) 0.0420(7) Uani 1 1 d .
N8 N 0.5996(2) 0.1414(2) 0.11273(14) 0.0172(4) Uani 1 1 d .
N9 N 0.7070(2) 0.0863(2) 0.11078(14) 0.0159(4) Uani 1 1 d .
N10 N 0.8097(2) 0.0273(2) 0.10780(15) 0.0220(5) Uani 1 1 d .
O1 O 0.16366(17) 0.22044(15) 0.06093(12) 0.0149(3) Uani 1 1 d .
O2 O 0.16082(18) -0.02960(15) 0.13416(12) 0.0157(4) Uani 1 1 d .
O3 O 0.8250(3) 0.6483(2) 0.41184(17) 0.0372(5) Uani 1 1 d D
C1 C 0.2807(3) 0.2178(2) 0.12324(17) 0.0120(5) Uani 1 1 d .
C2 C 0.2738(3) 0.0810(2) 0.16997(17) 0.0134(5) Uani 1 1 d .
C3 C 0.3920(3) -0.0105(2) 0.30685(17) 0.0132(5) Uani 1 1 d .
C4 C 0.2466(3) -0.0973(2) 0.32572(17) 0.0175(5) Uani 1 1 d .
H4 H 0.1490 -0.0793 0.3001 0.021 Uiso 1 1 calc R
C5 C 0.2426(3) -0.2087(2) 0.38086(18) 0.0206(6) Uani 1 1 d .
H5 H 0.1431 -0.2667 0.3927 0.025 Uiso 1 1 calc R
C6 C 0.3851(3) -0.2352(3) 0.41888(19) 0.0234(6) Uani 1 1 d .
H6 H 0.3836 -0.3134 0.4548 0.028 Uiso 1 1 calc R
C7 C 0.5280(3) -0.1475(2) 0.40410(18) 0.0219(6) Uani 1 1 d .
H7 H 0.6245 -0.1650 0.4323 0.026 Uiso 1 1 calc R
C8 C 0.5377(3) -0.0326(2) 0.34893(17) 0.0153(5) Uani 1 1 d .
C9 C 0.6989(3) 0.0631(2) 0.34746(17) 0.0158(5) Uani 1 1 d .
C10 C 0.8432(3) 0.0131(3) 0.3841(2) 0.0267(6) Uani 1 1 d .
H10A H 0.9346 0.0578 0.3515 0.040 Uiso 1 1 calc R
H10B H 0.8189 -0.0920 0.3659 0.040 Uiso 1 1 calc R
H10C H 0.8694 0.0412 0.4586 0.040 Uiso 1 1 calc R
C11 C 0.8726(3) 0.2983(3) 0.34030(19) 0.0229(6) Uani 1 1 d .
H11A H 0.9601 0.2513 0.3512 0.028 Uiso 1 1 calc R
H11B H 0.8759 0.3670 0.4033 0.028 Uiso 1 1 calc R
C12 C 0.8950(3) 0.3780(2) 0.25091(19) 0.0195(5) Uani 1 1 d .
H12A H 0.9803 0.4693 0.2717 0.023 Uiso 1 1 calc R
H12B H 0.9262 0.3184 0.1940 0.023 Uiso 1 1 calc R
C13 C 0.7383(3) 0.5138(2) 0.16852(17) 0.0143(5) Uani 1 1 d .
C14 C 0.8908(3) 0.6008(3) 0.1385(2) 0.0229(6) Uani 1 1 d .
H14A H 0.9483 0.6750 0.1966 0.034 Uiso 1 1 calc R
H14B H 0.8648 0.6467 0.0804 0.034 Uiso 1 1 calc R
H14C H 0.9581 0.5370 0.1191 0.034 Uiso 1 1 calc R
C15 C 0.5889(3) 0.5547(2) 0.14400(16) 0.0130(5) Uani 1 1 d .
C16 C 0.6022(3) 0.6968(2) 0.12636(18) 0.0173(5) Uani 1 1 d .
H16 H 0.7055 0.7586 0.1266 0.021 Uiso 1 1 calc R
C17 C 0.4708(3) 0.7488(2) 0.10884(17) 0.0175(5) Uani 1 1 d .
H17 H 0.4836 0.8449 0.0968 0.021 Uiso 1 1 calc R
C18 C 0.3198(3) 0.6603(2) 0.10890(18) 0.0181(5) Uani 1 1 d .
H18 H 0.2287 0.6962 0.0977 0.022 Uiso 1 1 calc R
C19 C 0.3007(3) 0.5196(2) 0.12519(17) 0.0162(5) Uani 1 1 d .
H19 H 0.1964 0.4598 0.1255 0.019 Uiso 1 1 calc R
C20 C 0.4334(3) 0.4646(2) 0.14121(16) 0.0124(5) Uani 1 1 d .
H3B H 0.813(5) 0.650(5) 0.4752(12) 0.102(16) Uiso 1 1 d D
H3A H 0.740(5) 0.579(6) 0.402(6) 0.28(4) Uiso 1 1 d 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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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
O1 Cd1 O1 180.00(10) . 2
O1 Cd1 O2 105.21(6) . 2
O1 Cd1 O2 74.79(6) 2 2
O1 Cd1 O2 74.79(6) . .
O1 Cd1 O2 105.21(6) 2 .
O2 Cd1 O2 180.00(9) 2 .
O1 Cd1 N10 85.95(7) . 2_655
O1 Cd1 N10 94.05(7) 2 2_655
O2 Cd1 N10 89.57(7) 2 2_655
O2 Cd1 N10 90.43(7) . 2_655
O1 Cd1 N10 94.05(7) . 1_455
O1 Cd1 N10 85.95(7) 2 1_455
O2 Cd1 N10 90.43(7) 2 1_455
O2 Cd1 N10 89.57(7) . 1_455
N10 Cd1 N10 180.00(9) 2_655 1_455
N4 Co1 N1 84.87(8) . .
N4 Co1 N2 177.98(7) . .
N1 Co1 N2 93.88(8) . .
N4 Co1 N3 93.36(8) . .
N1 Co1 N3 173.72(8) . .
N2 Co1 N3 87.72(8) . .
N4 Co1 N5 90.16(8) . .
N1 Co1 N5 95.32(8) . .
N2 Co1 N5 91.54(9) . .
N3 Co1 N5 90.70(8) . .
N4 Co1 N8 88.31(8) . .
N1 Co1 N8 86.86(8) . .
N2 Co1 N8 90.04(8) . .
N3 Co1 N8 87.07(8) . .
N5 Co1 N8 177.21(8) . .
C2 N1 C3 121.32(18) . .
C2 N1 Co1 110.70(14) . .
C3 N1 Co1 125.98(15) . .
C9 N2 C11 121.46(19) . .
C9 N2 Co1 129.12(16) . .
C11 N2 Co1 109.31(14) . .
C13 N3 C12 120.49(19) . .
C13 N3 Co1 128.30(16) . .
C12 N3 Co1 110.55(14) . .
C1 N4 C20 122.71(18) . .
C1 N4 Co1 113.00(14) . .
C20 N4 Co1 124.23(14) . .
N6 N5 Co1 114.28(16) . .
N7 N6 N5 177.9(3) . .
N9 N8 Co1 122.06(16) . .
N10 N9 N8 177.8(2) . .
N9 N10 Cd1 136.77(17) . 1_655
C1 O1 Cd1 112.88(13) . .
C2 O2 Cd1 113.49(13) . .
H3B O3 H3A 83(5) . .
O1 C1 N4 128.8(2) . .
O1 C1 C2 118.54(19) . .
N4 C1 C2 112.60(19) . .
O2 C2 N1 128.6(2) . .
O2 C2 C1 118.1(2) . .
N1 C2 C1 113.28(19) . .
C4 C3 N1 119.0(2) . .
C4 C3 C8 119.5(2) . .
N1 C3 C8 121.5(2) . .
C5 C4 C3 121.3(2) . .
C5 C4 H4 119.3 . .
C3 C4 H4 119.3 . .
C4 C5 C6 119.6(2) . .
C4 C5 H5 120.2 . .
C6 C5 H5 120.2 . .
C7 C6 C5 119.5(2) . .
C7 C6 H6 120.3 . .
C5 C6 H6 120.3 . .
C6 C7 C8 122.8(2) . .
C6 C7 H7 118.6 . .
C8 C7 H7 118.6 . .
C7 C8 C3 117.3(2) . .
C7 C8 C9 117.4(2) . .
C3 C8 C9 125.12(19) . .
N2 C9 C8 121.2(2) . .
N2 C9 C10 120.8(2) . .
C8 C9 C10 117.96(19) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N2 C11 C12 109.39(19) . .
N2 C11 H11A 109.8 . .
C12 C11 H11A 109.8 . .
N2 C11 H11B 109.8 . .
C12 C11 H11B 109.8 . .
H11A C11 H11B 108.2 . .
N3 C12 C11 107.75(19) . .
N3 C12 H12A 110.2 . .
C11 C12 H12A 110.2 . .
N3 C12 H12B 110.2 . .
C11 C12 H12B 110.2 . .
H12A C12 H12B 108.5 . .
N3 C13 C15 121.2(2) . .
N3 C13 C14 120.0(2) . .
C15 C13 C14 118.75(19) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 C20 117.5(2) . .
C16 C15 C13 117.47(19) . .
C20 C15 C13 124.99(19) . .
C17 C16 C15 122.3(2) . .
C17 C16 H16 118.9 . .
C15 C16 H16 118.9 . .
C16 C17 C18 119.5(2) . .
C16 C17 H17 120.2 . .
C18 C17 H17 120.2 . .
C17 C18 C19 120.3(2) . .
C17 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
C18 C19 C20 120.7(2) . .
C18 C19 H19 119.7 . .
C20 C19 H19 119.7 . .
C19 C20 C15 119.72(19) . .
C19 C20 N4 120.19(19) . .
C15 C20 N4 120.04(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.2487(16) .
Cd1 O1 2.2487(16) 2
Cd1 O2 2.2557(16) 2
Cd1 O2 2.2557(16) .
Cd1 N10 2.337(2) 2_655
Cd1 N10 2.337(2) 1_455
Co1 N4 1.9009(18) .
Co1 N1 1.9105(18) .
Co1 N2 1.9152(19) .
Co1 N3 1.9189(19) .
Co1 N5 1.956(2) .
Co1 N8 1.996(2) .
N1 C2 1.326(3) .
N1 C3 1.414(3) .
N2 C9 1.300(3) .
N2 C11 1.482(3) .
N3 C13 1.297(3) .
N3 C12 1.477(3) .
N4 C1 1.319(3) .
N4 C20 1.419(3) .
N5 N6 1.202(3) .
N6 N7 1.160(3) .
N8 N9 1.189(3) .
N9 N10 1.177(3) .
N10 Cd1 2.337(2) 1_655
O1 C1 1.258(3) .
O2 C2 1.262(3) .
O3 H3B 0.859(10) .
O3 H3A 0.856(10) .
C1 C2 1.534(3) .
C3 C4 1.404(3) .
C3 C8 1.415(3) .
C4 C5 1.385(3) .
C4 H4 0.9500 .
C5 C6 1.391(3) .
C5 H5 0.9500 .
C6 C7 1.373(3) .
C6 H6 0.9500 .
C7 C8 1.409(3) .
C7 H7 0.9500 .
C8 C9 1.484(3) .
C9 C10 1.517(3) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.510(3) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C15 1.472(3) .
C13 C14 1.510(3) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.410(3) .
C15 C20 1.414(3) .
C16 C17 1.374(3) .
C16 H16 0.9500 .
C17 C18 1.382(3) .
C17 H17 0.9500 .
C18 C19 1.386(3) .
C18 H18 0.9500 .
C19 C20 1.399(3) .
C19 H19 0.9500 .
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
N4 Co1 N1 C2 21.92(15) . .
N2 Co1 N1 C2 -156.49(16) . .
N3 Co1 N1 C2 -51.9(7) . .
N5 Co1 N1 C2 111.60(16) . .
N8 Co1 N1 C2 -66.66(16) . .
N4 Co1 N1 C3 -174.14(18) . .
N2 Co1 N1 C3 7.45(18) . .
N3 Co1 N1 C3 112.0(7) . .
N5 Co1 N1 C3 -84.46(18) . .
N8 Co1 N1 C3 97.28(18) . .
N4 Co1 N2 C9 -41(2) . .
N1 Co1 N2 C9 10.3(2) . .
N3 Co1 N2 C9 -163.6(2) . .
N5 Co1 N2 C9 105.8(2) . .
N8 Co1 N2 C9 -76.5(2) . .
N4 Co1 N2 C11 135(2) . .
N1 Co1 N2 C11 -173.46(15) . .
N3 Co1 N2 C11 12.62(15) . .
N5 Co1 N2 C11 -78.02(16) . .
N8 Co1 N2 C11 99.69(16) . .
N4 Co1 N3 C13 3.8(2) . .
N1 Co1 N3 C13 77.1(7) . .
N2 Co1 N3 C13 -177.9(2) . .
N5 Co1 N3 C13 -86.4(2) . .
N8 Co1 N3 C13 91.9(2) . .
N4 Co1 N3 C12 -166.83(15) . .
N1 Co1 N3 C12 -93.4(7) . .
N2 Co1 N3 C12 11.46(15) . .
N5 Co1 N3 C12 102.97(16) . .
N8 Co1 N3 C12 -78.70(16) . .
N1 Co1 N4 C1 -17.02(16) . .
N2 Co1 N4 C1 35(2) . .
N3 Co1 N4 C1 156.94(16) . .
N5 Co1 N4 C1 -112.35(17) . .
N8 Co1 N4 C1 69.97(16) . .
N1 Co1 N4 C20 160.46(18) . .
N2 Co1 N4 C20 -148(2) . .
N3 Co1 N4 C20 -25.58(18) . .
N5 Co1 N4 C20 65.13(17) . .
N8 Co1 N4 C20 -112.54(17) . .
N4 Co1 N5 N6 46.88(18) . .
N1 Co1 N5 N6 -37.98(18) . .
N2 Co1 N5 N6 -132.03(18) . .
N3 Co1 N5 N6 140.24(18) . .
N8 Co1 N5 N6 103.4(16) . .
Co1 N5 N6 N7 -139(7) . .
N4 Co1 N8 N9 168.98(18) . .
N1 Co1 N8 N9 -106.07(18) . .
N2 Co1 N8 N9 -12.19(18) . .
N3 Co1 N8 N9 75.53(18) . .
N5 Co1 N8 N9 112.4(16) . .
Co1 N8 N9 N10 121(6) . .
N8 N9 N10 Cd1 105(6) . 1_655
O1 Cd1 O1 C1 -7(100) 2 .
O2 Cd1 O1 C1 -166.95(14) 2 .
O2 Cd1 O1 C1 13.05(14) . .
N10 Cd1 O1 C1 -78.50(16) 2_655 .
N10 Cd1 O1 C1 101.50(16) 1_455 .
O1 Cd1 O2 C2 -8.24(15) . .
O1 Cd1 O2 C2 171.76(15) 2 .
O2 Cd1 O2 C2 108(100) 2 .
N10 Cd1 O2 C2 77.45(16) 2_655 .
N10 Cd1 O2 C2 -102.55(16) 1_455 .
Cd1 O1 C1 N4 166.6(2) . .
Cd1 O1 C1 C2 -16.0(2) . .
C20 N4 C1 O1 9.0(4) . .
Co1 N4 C1 O1 -173.50(19) . .
C20 N4 C1 C2 -168.56(18) . .
Co1 N4 C1 C2 9.0(2) . .
Cd1 O2 C2 N1 -179.23(19) . .
Cd1 O2 C2 C1 3.3(2) . .
C3 N1 C2 O2 -4.5(4) . .
Co1 N1 C2 O2 160.3(2) . .
C3 N1 C2 C1 173.10(18) . .
Co1 N1 C2 C1 -22.1(2) . .
O1 C1 C2 O2 9.1(3) . .
N4 C1 C2 O2 -173.1(2) . .
O1 C1 C2 N1 -168.8(2) . .
N4 C1 C2 N1 9.0(3) . .
C2 N1 C3 C4 -34.5(3) . .
Co1 N1 C3 C4 163.14(16) . .
C2 N1 C3 C8 146.4(2) . .
Co1 N1 C3 C8 -16.0(3) . .
N1 C3 C4 C5 177.9(2) . .
C8 C3 C4 C5 -3.0(3) . .
C3 C4 C5 C6 0.3(3) . .
C4 C5 C6 C7 2.2(4) . .
C5 C6 C7 C8 -1.9(4) . .
C6 C7 C8 C3 -0.8(3) . .
C6 C7 C8 C9 173.9(2) . .
C4 C3 C8 C7 3.2(3) . .
N1 C3 C8 C7 -177.7(2) . .
C4 C3 C8 C9 -171.1(2) . .
N1 C3 C8 C9 8.0(3) . .
C11 N2 C9 C8 165.1(2) . .
Co1 N2 C9 C8 -19.1(3) . .
C11 N2 C9 C10 -12.6(3) . .
Co1 N2 C9 C10 163.18(17) . .
C7 C8 C9 N2 -164.4(2) . .
C3 C8 C9 N2 9.9(3) . .
C7 C8 C9 C10 13.4(3) . .
C3 C8 C9 C10 -172.4(2) . .
C9 N2 C11 C12 142.9(2) . .
Co1 N2 C11 C12 -33.6(2) . .
C13 N3 C12 C11 156.4(2) . .
Co1 N3 C12 C11 -32.2(2) . .
N2 C11 C12 N3 42.7(3) . .
C12 N3 C13 C15 -173.8(2) . .
Co1 N3 C13 C15 16.4(3) . .
C12 N3 C13 C14 3.9(3) . .
Co1 N3 C13 C14 -165.86(17) . .
N3 C13 C15 C16 156.8(2) . .
C14 C13 C15 C16 -21.0(3) . .
N3 C13 C15 C20 -20.3(3) . .
C14 C13 C15 C20 161.9(2) . .
C20 C15 C16 C17 1.2(3) . .
C13 C15 C16 C17 -176.1(2) . .
C15 C16 C17 C18 0.4(4) . .
C16 C17 C18 C19 -0.8(4) . .
C17 C18 C19 C20 -0.4(4) . .
C18 C19 C20 C15 2.0(3) . .
C18 C19 C20 N4 179.3(2) . .
C16 C15 C20 C19 -2.3(3) . .
C13 C15 C20 C19 174.7(2) . .
C16 C15 C20 N4 -179.68(19) . .
C13 C15 C20 N4 -2.6(3) . .
C1 N4 C20 C19 27.6(3) . .
Co1 N4 C20 C19 -149.67(17) . .
C1 N4 C20 C15 -155.1(2) . .
Co1 N4 C20 C15 27.7(3) . .
