#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/24/1512414.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_1512414
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 H21 Co1.50 N10 O3'
_chemical_formula_sum            'C20 H21 Co1.5 N10 O3'
_chemical_formula_weight         537.86
_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                97.978(5)
_cell_angle_beta                 96.321(6)
_cell_angle_gamma                104.489(7)
_cell_formula_units_Z            2
_cell_length_a                   8.580(4)
_cell_length_b                   9.636(4)
_cell_length_c                   13.281(6)
_cell_measurement_reflns_used    2869
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      2.2
_cell_volume                     1040.7(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0482
_diffrn_reflns_av_sigmaI/netI    0.0662
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13147
_diffrn_reflns_theta_full        27.89
_diffrn_reflns_theta_max         27.89
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    1.259
_exptl_absorpt_correction_T_max  0.8844
_exptl_absorpt_correction_T_min  0.8051
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             551
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.927
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.885
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4936
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.891
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0551
_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)+(0.0860P)²+2.0763P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1325
_refine_ls_wR_factor_ref         0.1471
_reflns_number_gt                3921
_reflns_number_total             4936
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2012-390-178-183-4.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        1040.8(8)
_cod_original_formula_sum        'C20 H21 Co1.50 N10 O3'
_cod_database_code               1512414
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
Co1 Co 0.56159(5) 0.24663(5) 0.23321(3) 0.01588(15) Uani 1 1 d .
Co2 Co 0.0000 0.0000 0.0000 0.01469(17) Uani 1 2 d S
O1 O 0.1440(3) -0.0378(2) 0.12454(19) 0.0185(5) Uani 1 1 d .
O2 O 0.1511(3) 0.2078(2) 0.05243(18) 0.0177(5) Uani 1 1 d .
O3 O 0.1791(4) 0.3646(3) 0.5872(3) 0.0427(8) Uani 1 1 d .
N1 N 0.3819(3) 0.0864(3) 0.2389(2) 0.0161(6) Uani 1 1 d .
N2 N 0.4065(3) 0.3119(3) 0.1510(2) 0.0153(5) Uani 1 1 d .
N3 N 0.7409(3) 0.3991(3) 0.2139(2) 0.0172(6) Uani 1 1 d .
N4 N 0.7145(3) 0.1757(3) 0.3127(2) 0.0188(6) Uani 1 1 d .
N5 N 0.5313(4) 0.3685(3) 0.3556(2) 0.0226(6) Uani 1 1 d .
N6 N 0.3940(4) 0.3603(4) 0.3664(3) 0.0286(7) Uani 1 1 d U
N7 N 0.2619(5) 0.3585(5) 0.3787(3) 0.0505(10) Uani 1 1 d U
N8 N 0.1792(3) -0.0308(3) -0.0965(2) 0.0225(6) Uani 1 1 d .
N9 N 0.2874(3) -0.0820(3) -0.1018(2) 0.0187(6) Uani 1 1 d .
N10 N 0.4020(3) -0.1298(3) -0.1063(2) 0.0192(6) Uani 1 1 d .
C1 C 0.2628(4) 0.0710(3) 0.1616(3) 0.0164(6) Uani 1 1 d .
C2 C 0.2721(4) 0.2076(3) 0.1159(3) 0.0155(6) Uani 1 1 d .
C3 C 0.4285(4) 0.4567(4) 0.1350(3) 0.0168(6) Uani 1 1 d .
C4 C 0.2949(4) 0.5121(4) 0.1169(3) 0.0193(7) Uani 1 1 d .
H4 H 0.1885 0.4506 0.1143 0.023 Uiso 1 1 calc R
C5 C 0.3130(4) 0.6544(4) 0.1026(3) 0.0208(7) Uani 1 1 d .
H5 H 0.2201 0.6898 0.0901 0.025 Uiso 1 1 calc R
C6 C 0.4683(4) 0.7453(4) 0.1068(3) 0.0215(7) Uani 1 1 d .
H6 H 0.4820 0.8428 0.0960 0.026 Uiso 1 1 calc R
C7 C 0.6018(4) 0.6936(4) 0.1265(3) 0.0204(7) Uani 1 1 d .
H7 H 0.7073 0.7572 0.1301 0.024 Uiso 1 1 calc R
C8 C 0.5877(4) 0.5496(4) 0.1417(3) 0.0170(7) Uani 1 1 d .
C9 C 0.7392(4) 0.5072(4) 0.1671(3) 0.0184(7) Uani 1 1 d .
C10 C 0.8945(4) 0.5979(4) 0.1407(3) 0.0272(8) Uani 1 1 d .
H10A H 0.9543 0.6685 0.2016 0.041 Uiso 1 1 calc R
H10B H 0.8687 0.6496 0.0853 0.041 Uiso 1 1 calc R
H10C H 0.9618 0.5345 0.1181 0.041 Uiso 1 1 calc R
C11 C 0.8975(4) 0.3685(4) 0.2471(3) 0.0233(8) Uani 1 1 d .
H11A H 0.9843 0.4606 0.2700 0.028 Uiso 1 1 calc R
H11B H 0.9294 0.3104 0.1893 0.028 Uiso 1 1 calc R
C12 C 0.8738(4) 0.2845(4) 0.3348(3) 0.0272(8) Uani 1 1 d .
H12A H 0.9615 0.2354 0.3444 0.033 Uiso 1 1 calc R
H12B H 0.8800 0.3524 0.3993 0.033 Uiso 1 1 calc R
C13 C 0.6928(4) 0.0510(4) 0.3443(3) 0.0195(7) Uani 1 1 d .
C14 C 0.8378(5) 0.0009(4) 0.3850(3) 0.0319(9) Uani 1 1 d .
H14A H 0.9335 0.0481 0.3559 0.048 Uiso 1 1 calc R
H14B H 0.8140 -0.1050 0.3651 0.048 Uiso 1 1 calc R
H14C H 0.8598 0.0271 0.4601 0.048 Uiso 1 1 calc R
C15 C 0.5290(4) -0.0424(4) 0.3465(3) 0.0201(7) Uani 1 1 d .
C16 C 0.5169(5) -0.1551(4) 0.4049(3) 0.0269(8) Uani 1 1 d .
H16 H 0.6142 -0.1728 0.4350 0.032 Uiso 1 1 calc R
C17 C 0.3699(5) -0.2406(4) 0.4200(3) 0.0283(8) Uani 1 1 d .
H17 H 0.3666 -0.3165 0.4590 0.034 Uiso 1 1 calc R
C18 C 0.2259(5) -0.2152(4) 0.3777(3) 0.0249(8) Uani 1 1 d .
H18 H 0.1238 -0.2724 0.3890 0.030 Uiso 1 1 calc R
C19 C 0.2324(4) -0.1061(4) 0.3192(3) 0.0200(7) Uani 1 1 d .
H19 H 0.1340 -0.0881 0.2913 0.024 Uiso 1 1 calc R
C20 C 0.3817(4) -0.0218(4) 0.3004(2) 0.0166(6) 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'
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
N1 Co1 N2 85.09(12) . .
N1 Co1 N4 93.82(12) . .
N2 Co1 N4 178.24(12) . .
N1 Co1 N3 174.44(12) . .
N2 Co1 N3 93.19(12) . .
N4 Co1 N3 87.77(12) . .
N1 Co1 N5 94.98(13) . .
N2 Co1 N5 90.26(12) . .
N4 Co1 N5 91.22(13) . .
N3 Co1 N5 90.30(13) . .
N1 Co1 N10 87.34(12) . 2_655
N2 Co1 N10 89.10(12) . 2_655
N4 Co1 N10 89.47(12) . 2_655
N3 Co1 N10 87.35(12) . 2_655
N5 Co1 N10 177.53(12) . 2_655
O2 Co2 O2 180.00(8) . 2
O2 Co2 O1 100.26(9) . 2
O2 Co2 O1 79.74(9) 2 2
O2 Co2 O1 79.74(9) . .
O2 Co2 O1 100.26(9) 2 .
O1 Co2 O1 180.00(13) 2 .
O2 Co2 N8 86.36(11) . .
O2 Co2 N8 93.64(11) 2 .
O1 Co2 N8 90.23(11) 2 .
O1 Co2 N8 89.77(11) . .
O2 Co2 N8 93.64(11) . 2
O2 Co2 N8 86.36(11) 2 2
O1 Co2 N8 89.77(11) 2 2
O1 Co2 N8 90.23(11) . 2
N8 Co2 N8 180.00(14) . 2
C1 O1 Co2 112.2(2) . .
C2 O2 Co2 111.9(2) . .
C1 N1 C20 121.8(3) . .
C1 N1 Co1 110.6(2) . .
C20 N1 Co1 126.4(2) . .
C2 N2 C3 123.6(3) . .
C2 N2 Co1 112.0(2) . .
C3 N2 Co1 124.3(2) . .
C9 N3 C11 119.9(3) . .
C9 N3 Co1 128.8(2) . .
C11 N3 Co1 110.8(2) . .
C13 N4 C12 121.5(3) . .
C13 N4 Co1 128.8(2) . .
C12 N4 Co1 109.7(2) . .
N6 N5 Co1 115.5(3) . .
N7 N6 N5 177.1(4) . .
N9 N8 Co2 142.1(3) . .
N8 N9 N10 177.7(3) . .
N9 N10 Co1 123.5(2) . 2_655
O1 C1 N1 129.4(3) . .
O1 C1 C2 117.0(3) . .
N1 C1 C2 113.5(3) . .
O2 C2 N2 129.2(3) . .
O2 C2 C1 117.0(3) . .
N2 C2 C1 113.8(3) . .
C4 C3 N2 120.5(3) . .
C4 C3 C8 119.2(3) . .
N2 C3 C8 120.2(3) . .
C5 C4 C3 121.7(3) . .
C5 C4 H4 119.2 . .
C3 C4 H4 119.2 . .
C4 C5 C6 119.5(3) . .
C4 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
C7 C6 C5 119.7(3) . .
C7 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
C6 C7 C8 122.3(3) . .
C6 C7 H7 118.9 . .
C8 C7 H7 118.9 . .
C7 C8 C3 117.6(3) . .
C7 C8 C9 117.8(3) . .
C3 C8 C9 124.6(3) . .
N3 C9 C8 121.4(3) . .
N3 C9 C10 120.4(3) . .
C8 C9 C10 118.2(3) . .
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 . .
N3 C11 C12 107.5(3) . .
N3 C11 H11A 110.2 . .
C12 C11 H11A 110.2 . .
N3 C11 H11B 110.2 . .
C12 C11 H11B 110.2 . .
H11A C11 H11B 108.5 . .
N4 C12 C11 110.0(3) . .
N4 C12 H12A 109.7 . .
C11 C12 H12A 109.7 . .
N4 C12 H12B 109.7 . .
C11 C12 H12B 109.7 . .
H12A C12 H12B 108.2 . .
N4 C13 C15 121.9(3) . .
N4 C13 C14 120.4(3) . .
C15 C13 C14 117.7(3) . .
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 117.2(3) . .
C16 C15 C13 117.6(3) . .
C20 C15 C13 125.1(3) . .
C17 C16 C15 122.6(3) . .
C17 C16 H16 118.7 . .
C15 C16 H16 118.7 . .
C16 C17 C18 119.6(3) . .
C16 C17 H17 120.2 . .
C18 C17 H17 120.2 . .
C19 C18 C17 119.6(3) . .
C19 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
C18 C19 C20 121.2(3) . .
C18 C19 H19 119.4 . .
C20 C19 H19 119.4 . .
C19 C20 N1 119.1(3) . .
C19 C20 C15 119.7(3) . .
N1 C20 C15 121.2(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N1 1.906(3) .
Co1 N2 1.910(3) .
Co1 N4 1.910(3) .
Co1 N3 1.911(3) .
Co1 N5 1.951(3) .
Co1 N10 1.993(3) 2_655
Co2 O2 2.071(2) .
Co2 O2 2.071(2) 2
Co2 O1 2.083(2) 2
Co2 O1 2.083(2) .
Co2 N8 2.157(3) .
Co2 N8 2.157(3) 2
O1 C1 1.262(4) .
O2 C2 1.263(4) .
N1 C1 1.331(4) .
N1 C20 1.410(4) .
N2 C2 1.315(4) .
N2 C3 1.410(4) .
N3 C9 1.287(4) .
N3 C11 1.480(4) .
N4 C13 1.303(4) .
N4 C12 1.471(4) .
N5 N6 1.187(4) .
N6 N7 1.159(5) .
N8 N9 1.159(4) .
N9 N10 1.189(4) .
N10 Co1 1.993(3) 2_655
C1 C2 1.512(4) .
C3 C4 1.392(5) .
C3 C8 1.420(5) .
C4 C5 1.382(5) .
C4 H4 0.9500 .
C5 C6 1.390(5) .
C5 H5 0.9500 .
C6 C7 1.373(5) .
C6 H6 0.9500 .
C7 C8 1.406(5) .
C7 H7 0.9500 .
C8 C9 1.475(5) .
C9 C10 1.506(4) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.512(5) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C15 1.473(5) .
C13 C14 1.516(5) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.409(5) .
C15 C20 1.415(5) .
C16 C17 1.376(5) .
C16 H16 0.9500 .
C17 C18 1.391(5) .
C17 H17 0.9500 .
C18 C19 1.385(5) .
C18 H18 0.9500 .
C19 C20 1.404(5) .
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
O2 Co2 O1 C1 -9.2(2) . .
O2 Co2 O1 C1 170.8(2) 2 .
O1 Co2 O1 C1 -147(100) 2 .
N8 Co2 O1 C1 77.2(2) . .
N8 Co2 O1 C1 -102.8(2) 2 .
O2 Co2 O2 C2 16(100) 2 .
O1 Co2 O2 C2 -166.6(2) 2 .
O1 Co2 O2 C2 13.4(2) . .
N8 Co2 O2 C2 -77.0(2) . .
N8 Co2 O2 C2 103.0(2) 2 .
N2 Co1 N1 C1 20.8(2) . .
N4 Co1 N1 C1 -157.8(2) . .
N3 Co1 N1 C1 -51.3(12) . .
N5 Co1 N1 C1 110.6(2) . .
N10 Co1 N1 C1 -68.5(2) 2_655 .
N2 Co1 N1 C20 -171.9(3) . .
N4 Co1 N1 C20 9.5(3) . .
N3 Co1 N1 C20 116.0(11) . .
N5 Co1 N1 C20 -82.1(3) . .
N10 Co1 N1 C20 98.8(3) 2_655 .
N1 Co1 N2 C2 -16.3(2) . .
N4 Co1 N2 C2 35(4) . .
N3 Co1 N2 C2 158.4(2) . .
N5 Co1 N2 C2 -111.3(2) . .
N10 Co1 N2 C2 71.1(2) 2_655 .
N1 Co1 N2 C3 159.8(3) . .
N4 Co1 N2 C3 -148(4) . .
N3 Co1 N2 C3 -25.5(3) . .
N5 Co1 N2 C3 64.8(3) . .
N10 Co1 N2 C3 -112.8(3) 2_655 .
N1 Co1 N3 C9 76.4(12) . .
N2 Co1 N3 C9 4.6(3) . .
N4 Co1 N3 C9 -176.9(3) . .
N5 Co1 N3 C9 -85.7(3) . .
N10 Co1 N3 C9 93.6(3) 2_655 .
N1 Co1 N3 C11 -94.7(12) . .
N2 Co1 N3 C11 -166.4(2) . .
N4 Co1 N3 C11 12.1(2) . .
N5 Co1 N3 C11 103.3(2) . .
N10 Co1 N3 C11 -77.5(2) 2_655 .
N1 Co1 N4 C13 7.2(3) . .
N2 Co1 N4 C13 -44(4) . .
N3 Co1 N4 C13 -167.4(3) . .
N5 Co1 N4 C13 102.3(3) . .
N10 Co1 N4 C13 -80.1(3) 2_655 .
N1 Co1 N4 C12 -174.0(2) . .
N2 Co1 N4 C12 134(4) . .
N3 Co1 N4 C12 11.4(2) . .
N5 Co1 N4 C12 -78.9(3) . .
N10 Co1 N4 C12 98.7(2) 2_655 .
N1 Co1 N5 N6 -37.5(3) . .
N2 Co1 N5 N6 47.6(3) . .
N4 Co1 N5 N6 -131.4(3) . .
N3 Co1 N5 N6 140.8(3) . .
N10 Co1 N5 N6 123(3) 2_655 .
Co1 N5 N6 N7 -144(8) . .
O2 Co2 N8 N9 100.0(4) . .
O2 Co2 N8 N9 -80.0(4) 2 .
O1 Co2 N8 N9 -159.8(4) 2 .
O1 Co2 N8 N9 20.2(4) . .
N8 Co2 N8 N9 -31(100) 2 .
Co2 N8 N9 N10 -106(9) . .
N8 N9 N10 Co1 -120(9) . 2_655
Co2 O1 C1 N1 -178.2(3) . .
Co2 O1 C1 C2 4.2(3) . .
C20 N1 C1 O1 -6.6(5) . .
Co1 N1 C1 O1 161.4(3) . .
C20 N1 C1 C2 171.2(3) . .
Co1 N1 C1 C2 -20.9(3) . .
Co2 O2 C2 N2 166.6(3) . .
Co2 O2 C2 C1 -15.3(3) . .
C3 N2 C2 O2 10.8(5) . .
Co1 N2 C2 O2 -173.0(3) . .
C3 N2 C2 C1 -167.4(3) . .
Co1 N2 C2 C1 8.8(3) . .
O1 C1 C2 O2 7.8(4) . .
N1 C1 C2 O2 -170.2(3) . .
O1 C1 C2 N2 -173.8(3) . .
N1 C1 C2 N2 8.2(4) . .
C2 N2 C3 C4 25.1(5) . .
Co1 N2 C3 C4 -150.7(3) . .
C2 N2 C3 C8 -157.8(3) . .
Co1 N2 C3 C8 26.5(4) . .
N2 C3 C4 C5 178.9(3) . .
C8 C3 C4 C5 1.7(5) . .
C3 C4 C5 C6 -0.3(5) . .
C4 C5 C6 C7 -1.0(5) . .
C5 C6 C7 C8 0.8(5) . .
C6 C7 C8 C3 0.6(5) . .
C6 C7 C8 C9 -177.3(3) . .
C4 C3 C8 C7 -1.8(5) . .
N2 C3 C8 C7 -179.0(3) . .
C4 C3 C8 C9 175.9(3) . .
N2 C3 C8 C9 -1.3(5) . .
C11 N3 C9 C8 -174.1(3) . .
Co1 N3 C9 C8 15.6(5) . .
C11 N3 C9 C10 3.4(5) . .
Co1 N3 C9 C10 -167.0(3) . .
C7 C8 C9 N3 157.0(3) . .
C3 C8 C9 N3 -20.6(5) . .
C7 C8 C9 C10 -20.5(5) . .
C3 C8 C9 C10 161.8(3) . .
C9 N3 C11 C12 156.3(3) . .
Co1 N3 C11 C12 -31.8(3) . .
C13 N4 C12 C11 146.9(3) . .
Co1 N4 C12 C11 -32.0(4) . .
N3 C11 C12 N4 41.3(4) . .
C12 N4 C13 C15 164.1(3) . .
Co1 N4 C13 C15 -17.2(5) . .
C12 N4 C13 C14 -13.0(5) . .
Co1 N4 C13 C14 165.7(3) . .
N4 C13 C15 C16 -164.3(3) . .
C14 C13 C15 C16 12.8(5) . .
N4 C13 C15 C20 11.1(5) . .
C14 C13 C15 C20 -171.7(3) . .
C20 C15 C16 C17 -1.8(6) . .
C13 C15 C16 C17 174.0(4) . .
C15 C16 C17 C18 -0.9(6) . .
C16 C17 C18 C19 1.3(6) . .
C17 C18 C19 C20 0.9(5) . .
C18 C19 C20 N1 179.0(3) . .
C18 C19 C20 C15 -3.6(5) . .
C1 N1 C20 C19 -32.6(5) . .
Co1 N1 C20 C19 161.4(3) . .
C1 N1 C20 C15 150.0(3) . .
Co1 N1 C20 C15 -16.0(5) . .
C16 C15 C20 C19 3.9(5) . .
C13 C15 C20 C19 -171.5(3) . .
C16 C15 C20 N1 -178.7(3) . .
C13 C15 C20 N1 5.8(5) . .
