#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:34:25 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180440 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/09/7210994.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_7210994
loop_
_publ_author_name
'Hu, Fei-Long'
'Mi, Yan'
'Gu, Yun-Qiong'
'Zhu, Li-Gang'
'Yang, Sheng-Lan'
'Wei, Han'
'Lang, Jian-Ping'
_publ_section_title
;
 Structure diversities of ten entangled coordination polymers assembled
 from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic
 acid in the absence or presence of auxiliary N-donor ligands
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              9553
_journal_paper_doi               10.1039/c3ce41059e
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C41 H0 Co N0 O0'
_chemical_formula_weight         551.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 99.638(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.547(9)
_cell_length_b                   9.966(5)
_cell_length_c                   15.687(7)
_cell_measurement_temperature    293(2)
_cell_volume                     3167(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0554
_diffrn_reflns_av_sigmaI/netI    0.0670
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9011
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    0.566
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1092
_refine_diff_density_max         0.805
_refine_diff_density_min         -0.636
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         2967
_refine_ls_number_restraints     534
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.1095
_refine_ls_R_factor_gt           0.0788
_refine_ls_shift/su_max          0.175
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1469P)²+7.9065P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2189
_refine_ls_wR_factor_ref         0.2438
_reflns_number_gt                2169
_reflns_number_total             2967
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41059e.txt
_cod_data_source_block           1
_cod_database_code               7210994
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.136790(9) 1.0000 -0.111151(13) 0.02483(5) Uani 1 2 d S . .
N1 N 0.14999(6) 1.0000 0.02928(9) 0.0354(4) Uani 1 2 d SU . .
N2 N 0.12392(7) 1.0000 0.74840(9) 0.0497(5) Uani 1 2 d SU . .
N3 N 0.12818(13) 1.0422(3) 0.43136(14) 0.0935(7) Uani 0.50 1 d PU . .
N4 N 0.11320(10) 1.0000 0.33998(11) 0.0877(6) Uani 1 2 d SU . .
N5 N 0.24286(6) 1.0000 -0.10707(8) 0.0306(3) Uani 1 2 d SU . .
O2 O 0.06030(5) 0.85866(10) -0.11219(6) 0.0581(3) Uani 1 1 d U . .
O3 O 0.15119(5) 0.75402(13) -0.11685(8) 0.0865(4) Uani 1 1 d U . .
O4 O 0.3388(3) 0.0000 0.6005(5) 0.529(2) Uani 1 2 d SU A 1
H4 H 0.3601 0.0683 0.6146 0.794 Uiso 0.50 1 d PR A 1
O4' O 0.3083(3) 0.0000 0.4769(5) 0.531(2) Uani 1 2 d SU B 2
H5B H 0.3204 0.0000 0.5178 0.797 Uiso 1 2 d SR B 2
H5 H 0.3024 -0.0775 0.4598 0.797 Uiso 0.50 1 d PR B 2
C1 C 0.09058(6) 0.75327(14) -0.11504(8) 0.0455(4) Uani 1 1 d U . .
C2 C 0.05479(5) 0.62066(12) -0.11620(7) 0.0344(3) Uani 1 1 d U . .
C3 C -0.01278(5) 0.62023(11) -0.11406(8) 0.0334(3) Uani 1 1 d U . .
H3 H -0.0350 0.7013 -0.1129 0.040 Uiso 1 1 calc R . .
C4 C -0.04753(7) 0.5000 -0.11365(10) 0.0307(4) Uani 1 2 d SU . .
C5 C -0.11902(7) 0.5000 -0.11075(10) 0.0309(4) Uani 1 2 d SU . .
C6 C -0.15466(6) 0.61404(14) -0.10764(12) 0.0684(5) Uani 1 1 d U . .
H6 H -0.1334 0.6966 -0.1062 0.082 Uiso 1 1 calc R . .
C7 C 0.08713(7) 0.5000 -0.11771(11) 0.0369(5) Uani 1 2 d SU . .
H7 H 0.1321 0.5000 -0.1198 0.044 Uiso 1 2 calc SR . .
C8 C 0.27792(6) 1.11012(15) -0.10659(13) 0.0742(6) Uani 1 1 d U . .
H8 H 0.2560 1.1916 -0.1055 0.089 Uiso 1 1 calc R . .
C9 C 0.09628(8) 1.0000 0.06724(11) 0.0448(5) Uani 1 2 d SU . .
H9 H 0.0553 1.0000 0.0315 0.054 Uiso 1 2 calc SR . .
C10 C 0.09702(9) 1.0000 0.15473(11) 0.0503(5) Uani 1 2 d SU . .
H10 H 0.0576 1.0000 0.1764 0.060 Uiso 1 2 calc SR . .
C11 C 0.15597(10) 1.0000 0.20987(12) 0.0624(6) Uani 1 2 d SU . .
C12 C 0.21341(11) 1.0000 0.17097(14) 0.0762(6) Uani 1 2 d SU . .
H12 H 0.2549 1.0000 0.2054 0.091 Uiso 1 2 calc SR . .
C13 C 0.20799(9) 1.0000 0.08325(13) 0.0589(5) Uani 1 2 d SU . .
H13 H 0.2465 1.0000 0.0595 0.071 Uiso 1 2 calc SR . .
C14 C 0.16178(12) 1.0000 0.30256(14) 0.0835(7) Uani 1 2 d SU . .
H14 H 0.2037 1.0000 0.3358 0.100 Uiso 1 2 calc SR . .
C15 C 0.10001(16) 1.0000 0.47285(16) 0.1035(7) Uani 1 2 d SU . .
H15 H 0.0530 1.0000 0.4478 0.124 Uiso 1 2 calc SR . .
C16 C 0.11013(14) 1.0000 0.56880(15) 0.0884(7) Uani 1 2 d SU . .
C17 C 0.0680(2) 0.9291(5) 0.6108(2) 0.1004(9) Uani 0.50 1 d PU . .
C18 C 0.07637(19) 0.9347(4) 0.7004(2) 0.0914(9) Uani 0.50 1 d PU . .
C20 C 0.15062(18) 0.9143(5) 0.6154(2) 0.0912(8) Uani 0.50 1 d PU . .
C21 C 0.15584(19) 1.0887(4) 0.7063(2) 0.0875(8) Uani 0.50 1 d PU . .
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
O2 Co1 O2 83.84(7) . 6_575
O2 Co1 N5 138.07(3) . .
O2 Co1 N5 138.07(3) 6_575 .
O2 Co1 N1 88.52(4) . .
O2 Co1 N1 88.52(4) 6_575 .
N5 Co1 N1 90.91(5) . .
O2 Co1 N2 91.61(4) . 1_554
O2 Co1 N2 91.61(4) 6_575 1_554
N5 Co1 N2 88.92(5) . 1_554
N1 Co1 N2 179.82(5) . 1_554
C9 N1 C13 115.50(15) . .
C9 N1 Co1 118.59(10) . .
C13 N1 Co1 125.91(12) . .
C18 N2 C18 59.9(4) . 6_575
C18 N2 C21 76.5(2) . 6_575
C18 N2 C21 115.3(2) 6_575 6_575
C18 N2 C21 115.3(2) . .
C18 N2 C21 76.5(2) 6_575 .
C21 N2 C21 82.7(4) 6_575 .
C18 N2 Co1 122.51(19) . 1_556
C18 N2 Co1 122.51(19) 6_575 1_556
C21 N2 Co1 120.85(16) 6_575 1_556
C21 N2 Co1 120.85(16) . 1_556
N3 N3 C15 65.9(2) 6_575 .
N3 N3 N4 73.45(13) 6_575 .
C15 N3 N4 116.7(3) . .
C14 N4 N3 114.0(2) . .
C14 N4 N3 114.0(2) . 6_575
N3 N4 N3 33.1(3) . 6_575
C8 N5 C8 113.52(15) 6_575 .
C8 N5 Co1 123.23(7) 6_575 .
C8 N5 Co1 123.23(7) . .
C1 O2 Co1 100.98(9) . .
H4 O4 H5B 108.9 . .
H5B O4' H5 109.6 . .
O2 C1 O3 120.62(13) . .
O2 C1 C2 120.07(11) . .
O3 C1 C2 119.31(13) . .
C7 C2 C3 118.90(11) . .
C7 C2 C1 121.94(11) . .
C3 C2 C1 119.14(10) . .
C2 C3 C4 121.00(11) . .
C2 C3 H3 119.5 . .
C4 C3 H3 119.5 . .
C3 C4 C3 118.35(14) . 6_565
C3 C4 C5 120.82(7) . .
C3 C4 C5 120.82(7) 6_565 .
C6 C5 C6 113.72(16) 6_565 .
C6 C5 C4 123.12(8) 6_565 .
C6 C5 C4 123.12(8) . .
C5 C6 C8 121.48(13) . 3_445
C5 C6 H6 119.3 . .
C8 C6 H6 119.3 3_445 .
C2 C7 C2 121.83(15) 6_565 .
C2 C7 H7 119.1 6_565 .
C2 C7 H7 119.1 . .
N5 C8 C6 124.84(13) . 3
N5 C8 H8 117.6 . .
C6 C8 H8 117.6 3 .
N1 C9 C10 125.03(15) . .
N1 C9 H9 117.5 . .
C10 C9 H9 117.5 . .
C11 C10 C9 119.63(18) . .
C11 C10 H10 120.2 . .
C9 C10 H10 120.2 . .
C10 C11 C12 116.22(18) . .
C10 C11 C14 123.7(2) . .
C12 C11 C14 120.08(18) . .
C13 C12 C11 120.15(18) . .
C13 C12 H12 119.9 . .
C11 C12 H12 119.9 . .
N1 C13 C12 123.48(18) . .
N1 C13 H13 118.3 . .
C12 C13 H13 118.3 . .
N4 C14 C11 122.8(2) . .
N4 C14 H14 118.6 . .
C11 C14 H14 118.6 . .
N3 C15 N3 48.2(4) 6_575 .
N3 C15 C16 130.0(3) 6_575 .
N3 C15 C16 130.0(3) . .
N3 C15 H15 111.6 6_575 .
N3 C15 H15 111.6 . .
C16 C15 H15 111.6 . .
C20 C16 C20 80.4(4) 6_575 .
C20 C16 C17 117.2(3) 6_575 .
C20 C16 C17 77.9(3) . .
C20 C16 C17 77.9(3) 6_575 6_575
C20 C16 C17 117.2(3) . 6_575
C17 C16 C17 62.2(4) . 6_575
C20 C16 C15 121.9(2) 6_575 .
C20 C16 C15 121.9(2) . .
C17 C16 C15 119.7(2) . .
C17 C16 C15 119.7(2) 6_575 .
C16 C17 C18 119.0(3) . .
C16 C17 C17 58.9(2) . 6_575
C18 C17 C17 87.7(3) . 6_575
C16 C17 C20 49.8(2) . .
C18 C17 C20 90.4(3) . .
C17 C17 C20 95.0(2) 6_575 .
C16 C17 C18 90.0(3) . 6_575
C18 C17 C18 42.1(3) . 6_575
C17 C17 C18 45.62(17) 6_575 6_575
C20 C17 C18 93.6(3) . 6_575
C18 C18 N2 60.03(18) 6_575 .
C18 C18 C17 92.3(3) 6_575 .
N2 C18 C17 124.0(4) . .
C18 C18 C21 98.2(2) 6_575 6_575
N2 C18 C21 52.7(2) . 6_575
C17 C18 C21 90.3(3) . 6_575
C18 C18 C17 45.62(17) 6_575 6_575
N2 C18 C17 92.1(3) . 6_575
C17 C18 C17 46.7(3) . 6_575
C21 C18 C17 96.2(3) 6_575 6_575
C16 C20 C21 120.4(4) . 6_575
C16 C20 C17 52.2(2) . .
C21 C20 C17 87.2(3) 6_575 .
C16 C20 C20 49.82(19) . 6_575
C21 C20 C20 91.2(3) 6_575 6_575
C17 C20 C20 85.0(2) . 6_575
N2 C21 C20 121.5(3) . 6_575
N2 C21 C18 50.8(2) . 6_575
C20 C21 C18 91.9(3) 6_575 6_575
N2 C21 C21 48.66(19) . 6_575
C20 C21 C21 88.8(3) 6_575 6_575
C18 C21 C21 81.8(2) 6_575 6_575
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2 2.1085(12) .
Co1 O2 2.1085(12) 6_575
Co1 N5 2.1696(15) .
Co1 N1 2.1740(17) .
Co1 N2 2.1747(17) 1_554
N1 C9 1.339(2) .
N1 C13 1.341(2) .
N2 C18 1.303(4) .
N2 C18 1.303(4) 6_575
N2 C21 1.339(4) 6_575
N2 C21 1.339(4) .
N2 Co1 2.1747(17) 1_556
N3 N3 0.841(7) 6_575
N3 C15 1.030(4) .
N3 N4 1.476(3) .
N4 C14 1.240(3) .
N4 N3 1.476(3) 6_575
N5 C8 1.3121(17) 6_575
N5 C8 1.3121(17) .
O2 C1 1.2253(17) .
O3 C1 1.2505(16) .
O4 H4 0.8200 .
O4 H5B 1.2883 .
O4' H5B 0.6485 .
O4' H5 0.8200 .
C1 C2 1.5111(19) .
C2 C7 1.3760(15) .
C2 C3 1.3944(16) .
C3 C4 1.3953(14) .
C3 H3 0.9300 .
C4 C3 1.3953(14) 6_565
C4 C5 1.477(2) .
C5 C6 1.3573(17) 6_565
C5 C6 1.3573(17) .
C6 C8 1.3887(19) 3_445
C6 H6 0.9300 .
C7 C2 1.3760(15) 6_565
C7 H7 0.9300 .
C8 C6 1.3887(19) 3
C8 H8 0.9300 .
C9 C10 1.370(3) .
C9 H9 0.9300 .
C10 C11 1.366(3) .
C10 H10 0.9300 .
C11 C12 1.416(3) .
C11 C14 1.439(3) .
C12 C13 1.362(3) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 N3 1.030(4) 6_575
C15 C16 1.485(3) .
C15 H15 0.9800 .
C16 C20 1.323(4) 6_575
C16 C20 1.323(4) .
C16 C17 1.369(5) .
C16 C17 1.369(5) 6_575
C17 C18 1.389(5) .
C17 C17 1.414(9) 6_575
C17 C20 1.694(6) .
C17 C18 1.941(6) 6_575
C18 C18 1.302(8) 6_575
C18 C21 1.636(6) 6_575
C18 C17 1.941(6) 6_575
C20 C21 1.413(4) 6_575
C20 C20 1.707(10) 6_575
C21 C20 1.413(4) 6_575
C21 C18 1.637(6) 6_575
C21 C21 1.769(9) 6_575
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 Co1 N1 C9 -41.93(3) . .
O2 Co1 N1 C9 41.93(3) 6_575 .
N5 Co1 N1 C9 180.0 . .
N2 Co1 N1 C9 -180(6) 1_554 .
O2 Co1 N1 C13 138.07(3) . .
O2 Co1 N1 C13 -138.07(3) 6_575 .
N5 Co1 N1 C13 0.0 . .
N2 Co1 N1 C13 0(6) 1_554 .
N3 N3 N4 C14 -97.59(9) 6_575 .
C15 N3 N4 C14 -148.8(2) . .
C15 N3 N4 N3 -51.2(3) . 6_575
O2 Co1 N5 C8 1.91(17) . 6_575
O2 Co1 N5 C8 179.50(12) 6_575 6_575
N1 Co1 N5 C8 90.70(14) . 6_575
N2 Co1 N5 C8 -89.30(14) 1_554 6_575
O2 Co1 N5 C8 -179.50(12) . .
O2 Co1 N5 C8 -1.91(17) 6_575 .
N1 Co1 N5 C8 -90.70(14) . .
N2 Co1 N5 C8 89.30(14) 1_554 .
O2 Co1 O2 C1 177.59(6) 6_575 .
N5 Co1 O2 C1 -4.03(11) . .
N1 Co1 O2 C1 -93.74(8) . .
N2 Co1 O2 C1 86.15(8) 1_554 .
Co1 O2 C1 O3 -0.31(14) . .
Co1 O2 C1 C2 179.55(9) . .
O2 C1 C2 C7 -178.73(13) . .
O3 C1 C2 C7 1.13(19) . .
O2 C1 C2 C3 0.05(17) . .
O3 C1 C2 C3 179.92(12) . .
C7 C2 C3 C4 -0.15(19) . .
C1 C2 C3 C4 -178.97(12) . .
C2 C3 C4 C3 1.0(2) . 6_565
C2 C3 C4 C5 179.56(13) . .
C3 C4 C5 C6 -177.98(15) . 6_565
C3 C4 C5 C6 0.6(2) 6_565 6_565
C3 C4 C5 C6 -0.6(2) . .
C3 C4 C5 C6 177.98(15) 6_565 .
C6 C5 C6 C8 -3.6(3) 6_565 3_445
C4 C5 C6 C8 178.79(17) . 3_445
C3 C2 C7 C2 -0.7(2) . 6_565
C1 C2 C7 C2 178.06(10) . 6_565
C8 N5 C8 C6 1.5(3) 6_575 3
Co1 N5 C8 C6 -177.18(14) . 3
C13 N1 C9 C10 0.0 . .
Co1 N1 C9 C10 180.0 . .
N1 C9 C10 C11 0.0 . .
C9 C10 C11 C12 0.0 . .
C9 C10 C11 C14 180.0 . .
C10 C11 C12 C13 0.0 . .
C14 C11 C12 C13 180.0 . .
C9 N1 C13 C12 0.0 . .
Co1 N1 C13 C12 180.0 . .
C11 C12 C13 N1 0.0 . .
N3 N4 C14 C11 -161.84(15) . .
N3 N4 C14 C11 161.84(15) 6_575 .
C10 C11 C14 N4 0.0 . .
C12 C11 C14 N4 180.0 . .
N4 N3 C15 N3 55.0(3) . 6_575
N3 N3 C15 C16 112.0(3) 6_575 .
N4 N3 C15 C16 166.96(17) . .
N3 C15 C16 C20 81.6(4) 6_575 6_575
N3 C15 C16 C20 17.3(5) . 6_575
N3 C15 C16 C20 -17.3(5) 6_575 .
N3 C15 C16 C20 -81.6(4) . .
N3 C15 C16 C17 -111.4(4) 6_575 .
N3 C15 C16 C17 -175.7(4) . .
N3 C15 C16 C17 175.7(4) 6_575 6_575
N3 C15 C16 C17 111.4(4) . 6_575
C20 C16 C17 C18 -9.7(5) 6_575 .
C20 C16 C17 C18 62.7(4) . .
C17 C16 C17 C18 -67.2(4) 6_575 .
C15 C16 C17 C18 -177.3(3) . .
C20 C16 C17 C17 57.5(2) 6_575 6_575
C20 C16 C17 C17 129.9(2) . 6_575
C15 C16 C17 C17 -110.1(2) . 6_575
C20 C16 C17 C20 -72.4(4) 6_575 .
C17 C16 C17 C20 -129.9(2) 6_575 .
C15 C16 C17 C20 120.0(3) . .
C20 C16 C17 C18 22.3(3) 6_575 6_575
C20 C16 C17 C18 94.7(2) . 6_575
C17 C16 C17 C18 -35.2(2) 6_575 6_575
C15 C16 C17 C18 -145.30(19) . 6_575
C21 N2 C18 C18 -130.2(2) 6_575 6_575
C21 N2 C18 C18 -55.2(2) . 6_575
Co1 N2 C18 C18 111.6(2) 1_556 6_575
C18 N2 C18 C17 70.6(4) 6_575 .
C21 N2 C18 C17 -59.7(4) 6_575 .
C21 N2 C18 C17 15.4(5) . .
Co1 N2 C18 C17 -177.9(3) 1_556 .
C18 N2 C18 C21 130.2(2) 6_575 6_575
C21 N2 C18 C21 75.0(4) . 6_575
Co1 N2 C18 C21 -118.2(2) 1_556 6_575
C18 N2 C18 C17 34.0(3) 6_575 6_575
C21 N2 C18 C17 -96.2(3) 6_575 6_575
C21 N2 C18 C17 -21.1(3) . 6_575
Co1 N2 C18 C17 145.60(15) 1_556 6_575
C16 C17 C18 C18 52.2(3) . 6_575
C17 C17 C18 C18 0.000(2) 6_575 6_575
C20 C17 C18 C18 95.0(2) . 6_575
C16 C17 C18 N2 -2.7(6) . .
C17 C17 C18 N2 -54.8(4) 6_575 .
C20 C17 C18 N2 40.1(5) . .
C18 C17 C18 N2 -54.8(4) 6_575 .
C16 C17 C18 C21 -46.0(4) . 6_575
C17 C17 C18 C21 -98.2(2) 6_575 6_575
C20 C17 C18 C21 -3.3(3) . 6_575
C18 C17 C18 C21 -98.2(2) 6_575 6_575
C16 C17 C18 C17 52.2(3) . 6_575
C20 C17 C18 C17 95.0(2) . 6_575
C18 C17 C18 C17 0.000(3) 6_575 6_575
C20 C16 C20 C21 62.5(5) 6_575 6_575
C17 C16 C20 C21 -58.2(4) . 6_575
C17 C16 C20 C21 -8.5(5) 6_575 6_575
C15 C16 C20 C21 -175.8(3) . 6_575
C20 C16 C20 C17 120.7(3) 6_575 .
C17 C16 C20 C17 49.7(4) 6_575 .
C15 C16 C20 C17 -117.6(3) . .
C17 C16 C20 C20 -120.7(3) . 6_575
C17 C16 C20 C20 -71.0(3) 6_575 6_575
C15 C16 C20 C20 121.7(3) . 6_575
C18 C17 C20 C16 -129.0(4) . .
C17 C17 C20 C16 -41.26(18) 6_575 .
C18 C17 C20 C16 -87.0(3) 6_575 .
C16 C17 C20 C21 132.8(4) . 6_575
C18 C17 C20 C21 3.8(4) . 6_575
C17 C17 C20 C21 91.5(3) 6_575 6_575
C18 C17 C20 C21 45.8(3) 6_575 6_575
C16 C17 C20 C20 41.26(18) . 6_575
C18 C17 C20 C20 -87.7(3) . 6_575
C17 C17 C20 C20 0.0 6_575 6_575
C18 C17 C20 C20 -45.73(17) 6_575 6_575
C18 N2 C21 C20 -16.3(5) . 6_575
C18 N2 C21 C20 -63.2(4) 6_575 6_575
C21 N2 C21 C20 55.0(4) 6_575 6_575
Co1 N2 C21 C20 176.7(3) 1_556 6_575
C18 N2 C21 C18 46.9(3) . 6_575
C21 N2 C21 C18 118.3(2) 6_575 6_575
Co1 N2 C21 C18 -120.0(2) 1_556 6_575
C18 N2 C21 C21 -71.3(2) . 6_575
C18 N2 C21 C21 -118.3(2) 6_575 6_575
Co1 N2 C21 C21 121.7(2) 1_556 6_575
