#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/24/7012419.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_7012419
loop_
_publ_author_name
'Dong, Yu-Bin'
'Ma, Jian-Ping'
'Huang, Ru-Qi'
'Liang, Fang-Zhen'
'Smith, Mark D.'
_publ_section_title
;
 Synthesis and characterization of new coordination polymers generated
 from oxadiazole-containing ligand and inorganic M(ii) [M = Cu(ii),
 Co(ii)] salts
;
_journal_issue                   8
_journal_name_full               'Dalton Transactions'
_journal_page_first              1472
_journal_paper_doi               10.1039/b210811a
_journal_year                    2003
_chemical_formula_sum            'C49 H42 Cl2 Cu N16 O16'
_chemical_formula_weight         1245.43
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 100.1820(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.4658(7)
_cell_length_b                   12.1314(7)
_cell_length_c                   17.8301(10)
_cell_measurement_reflns_used    5612
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      26.373
_cell_measurement_theta_min      2.187
_cell_volume                     2653.9(3)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.625 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0547
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17222
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.85
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    0.600
_exptl_absorpt_correction_T_max  0.8943
_exptl_absorpt_correction_T_min  0.4833
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            'deep blue'
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             1278
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.589
_refine_diff_density_min         -1.123
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     405
_refine_ls_number_reflns         5421
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0455
_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)+(0.0603P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1137
_reflns_number_gt                4147
_reflns_number_total             5421
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210811a.txt
_cod_data_source_block           compound_3
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7012419
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Cu Cu 0.0000 0.0000 0.5000 0.01968(12) Uani 1 2 d S . .
C1 C -0.10183(17) 0.13553(18) 0.36575(12) 0.0188(5) Uani 1 1 d . . .
H1 H -0.1683 0.1045 0.3750 0.023 Uiso 1 1 calc R . .
C2 C -0.10450(18) 0.20208(18) 0.30237(13) 0.0198(5) Uani 1 1 d . . .
H2 H -0.1715 0.2180 0.2696 0.024 Uiso 1 1 calc R . .
C3 C -0.00671(18) 0.24522(18) 0.28769(13) 0.0192(5) Uani 1 1 d . . .
C4 C 0.08796(18) 0.22740(19) 0.34045(13) 0.0229(5) Uani 1 1 d . . .
H4 H 0.1550 0.2596 0.3335 0.027 Uiso 1 1 calc R . .
C5 C 0.08286(19) 0.16221(19) 0.40298(13) 0.0236(5) Uani 1 1 d . . .
H5 H 0.1475 0.1517 0.4394 0.028 Uiso 1 1 calc R . .
C6 C 0.00046(18) 0.30396(19) 0.21692(13) 0.0201(5) Uani 1 1 d . . .
C7 C 0.08189(18) 0.36709(19) 0.13180(13) 0.0205(5) Uani 1 1 d . . .
C8 C 0.36390(19) 0.3710(2) 0.08796(14) 0.0245(5) Uani 1 1 d . . .
H8 H 0.4326 0.3382 0.1068 0.029 Uiso 1 1 calc R . .
C9 C 0.27703(19) 0.3442(2) 0.12266(14) 0.0250(5) Uani 1 1 d . . .
H9 H 0.2860 0.2946 0.1646 0.030 Uiso 1 1 calc R . .
C10 C 0.17592(18) 0.39111(19) 0.09512(13) 0.0213(5) Uani 1 1 d . . .
C11 C 0.16572(18) 0.46065(19) 0.03215(13) 0.0213(5) Uani 1 1 d . . .
H11 H 0.0971 0.4919 0.0110 0.026 Uiso 1 1 calc R . .
C12 C 0.25695(18) 0.48338(19) 0.00098(13) 0.0213(5) Uani 1 1 d . . .
H12 H 0.2496 0.5308 -0.0420 0.026 Uiso 1 1 calc R . .
N1 N -0.00948(14) 0.11260(15) 0.41499(10) 0.0190(4) Uani 1 1 d . . .
N2 N -0.07428(16) 0.34789(17) 0.16637(11) 0.0250(5) Uani 1 1 d . . .
N3 N -0.01994(16) 0.39069(17) 0.10965(11) 0.0257(5) Uani 1 1 d . . .
N4 N 0.35681(14) 0.44097(15) 0.02909(10) 0.0196(4) Uani 1 1 d . . .
O1 O 0.10147(12) 0.31228(13) 0.19896(9) 0.0222(4) Uani 1 1 d . . .
C13 C 0.4410(2) 0.5564(2) 0.73016(15) 0.0329(6) Uani 1 1 d . . .
H13 H 0.5078 0.5878 0.7548 0.039 Uiso 1 1 calc R . .
C14 C 0.4425(2) 0.4928(2) 0.66596(14) 0.0283(6) Uani 1 1 d . . .
H14 H 0.5083 0.4809 0.6472 0.034 Uiso 1 1 calc R . .
C15 C 0.34414(19) 0.4466(2) 0.62934(14) 0.0264(5) Uani 1 1 d . . .
C16 C 0.2497(2) 0.4674(2) 0.65832(15) 0.0317(6) Uani 1 1 d . . .
H16 H 0.1816 0.4382 0.6342 0.038 Uiso 1 1 calc R . .
C17 C 0.2574(2) 0.5316(2) 0.72320(15) 0.0343(6) Uani 1 1 d . . .
H17 H 0.1928 0.5449 0.7432 0.041 Uiso 1 1 calc R . .
C18 C 0.34192(19) 0.3759(2) 0.56302(14) 0.0253(5) Uani 1 1 d . . .
C19 C 0.40513(19) 0.2926(2) 0.47527(13) 0.0248(5) Uani 1 1 d . . .
C20 C 0.6677(2) 0.2548(2) 0.40534(15) 0.0288(6) Uani 1 1 d . . .
H20 H 0.7415 0.2778 0.4189 0.035 Uiso 1 1 calc R . .
C21 C 0.59418(19) 0.2927(2) 0.44942(14) 0.0256(5) Uani 1 1 d . . .
H21 H 0.6168 0.3401 0.4917 0.031 Uiso 1 1 calc R . .
C22 C 0.48624(18) 0.25920(19) 0.42963(14) 0.0238(5) Uani 1 1 d . . .
C23 C 0.4567(2) 0.1920(2) 0.36611(14) 0.0290(6) Uani 1 1 d . . .
H23 H 0.3832 0.1695 0.3504 0.035 Uiso 1 1 calc R . .
C24 C 0.5369(2) 0.1586(2) 0.32634(15) 0.0312(6) Uani 1 1 d . . .
H24 H 0.5163 0.1121 0.2833 0.037 Uiso 1 1 calc R . .
N5 N 0.35161(19) 0.57639(18) 0.75973(12) 0.0359(5) Uani 1 1 d . . .
N6 N 0.26430(17) 0.31345(19) 0.52906(13) 0.0350(5) Uani 1 1 d . . .
N7 N 0.30631(16) 0.25847(19) 0.47081(12) 0.0335(5) Uani 1 1 d . . .
N8 N 0.64207(17) 0.18791(18) 0.34494(12) 0.0310(5) Uani 1 1 d . . .
O2 O 0.43441(13) 0.36713(13) 0.53241(9) 0.0255(4) Uani 1 1 d . . .
O3 O 0.11153(14) 0.13634(16) 0.58594(10) 0.0277(4) Uani 1 1 d D . .
H3A H 0.127(2) 0.131(3) 0.6327(10) 0.051(10) Uiso 1 1 d D . .
H3B H 0.130(3) 0.199(2) 0.574(2) 0.107(17) Uiso 1 1 d D . .
Cl Cl 0.75991(6) 0.48290(6) 0.67467(4) 0.0436(2) Uani 1 1 d . . .
O11 O 0.7495(2) 0.4052(2) 0.73171(19) 0.1016(11) Uani 1 1 d . . .
O12 O 0.7121(3) 0.4385(3) 0.60447(19) 0.1192(14) Uani 1 1 d . . .
O13 O 0.87379(19) 0.50343(19) 0.67856(17) 0.0670(7) Uani 1 1 d . . .
O14 O 0.70601(17) 0.58322(18) 0.68735(15) 0.0618(7) Uani 1 1 d . . .
O1S O 0.9823(6) 0.4967(6) 0.5505(4) 0.107(2) Uani 0.50 1 d PD A -1
H1S H 0.9676 0.4964 0.5947 0.160 Uiso 0.50 1 calc PR A -1
C1S C 0.9453(8) 0.3943(6) 0.5122(5) 0.075(2) Uani 0.50 1 d PD A -1
H1S1 H 0.9648 0.3324 0.5473 0.112 Uiso 0.50 1 calc PR A -1
H1S2 H 0.9802 0.3847 0.4675 0.112 Uiso 0.50 1 calc PR A -1
H1S3 H 0.8660 0.3966 0.4961 0.112 Uiso 0.50 1 calc PR A -1
O2S O 1.0023(5) 0.3608(5) 0.5748(4) 0.097(2) Uani 0.50 1 d P B -2
H2SA H 0.9680 0.3991 0.6027 0.146 Uiso 0.50 1 d PR B -2
H2SB H 0.9641 0.3325 0.5366 0.146 Uiso 0.50 1 d PR B -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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
N1 Cu N1 180.0 . 3_556 ?
N1 Cu N4 89.12(7) . 2_545 ?
N1 Cu N4 90.88(7) 3_556 2_545 ?
N1 Cu N4 90.88(7) . 4_566 ?
N1 Cu N4 89.12(7) 3_556 4_566 ?
N4 Cu N4 180.0 2_545 4_566 ?
N1 Cu O3 88.00(7) . . ?
N1 Cu O3 92.00(7) 3_556 . ?
N4 Cu O3 88.38(7) 2_545 . ?
N4 Cu O3 91.62(7) 4_566 . ?
N1 C1 C2 123.1(2) . . ?
C1 C2 C3 118.5(2) . . ?
C4 C3 C2 118.7(2) . . ?
C4 C3 C6 119.0(2) . . ?
C2 C3 C6 122.2(2) . . ?
C5 C4 C3 118.8(2) . . ?
N1 C5 C4 123.2(2) . . ?
N2 C6 O1 112.9(2) . . ?
N2 C6 C3 130.9(2) . . ?
O1 C6 C3 116.09(19) . . ?
N3 C7 O1 113.12(19) . . ?
N3 C7 C10 129.6(2) . . ?
O1 C7 C10 117.26(19) . . ?
N4 C8 C9 123.6(2) . . ?
C8 C9 C10 118.7(2) . . ?
C9 C10 C11 118.7(2) . . ?
C9 C10 C7 120.4(2) . . ?
C11 C10 C7 120.9(2) . . ?
C12 C11 C10 118.8(2) . . ?
N4 C12 C11 122.9(2) . . ?
C1 N1 C5 117.32(19) . . ?
C1 N1 Cu 123.79(15) . . ?
C5 N1 Cu 118.71(15) . . ?
C6 N2 N3 105.87(18) . . ?
C7 N3 N2 105.62(18) . . ?
C8 N4 C12 117.26(19) . . ?
C8 N4 Cu 118.31(15) . 2 ?
C12 N4 Cu 123.39(15) . 2 ?
C7 O1 C6 102.45(17) . . ?
N5 C13 C14 124.2(2) . . ?
C13 C14 C15 118.1(2) . . ?
C16 C15 C14 118.9(2) . . ?
C16 C15 C18 120.9(2) . . ?
C14 C15 C18 120.3(2) . . ?
C17 C16 C15 118.4(2) . . ?
N5 C17 C16 123.7(2) . . ?
N6 C18 O2 112.5(2) . . ?
N6 C18 C15 129.1(2) . . ?
O2 C18 C15 118.3(2) . . ?
N7 C19 O2 112.7(2) . . ?
N7 C19 C22 128.6(2) . . ?
O2 C19 C22 118.7(2) . . ?
N8 C20 C21 124.6(2) . . ?
C20 C21 C22 117.8(2) . . ?
C21 C22 C23 118.9(2) . . ?
C21 C22 C19 120.7(2) . . ?
C23 C22 C19 120.4(2) . . ?
C24 C23 C22 118.5(2) . . ?
N8 C24 C23 123.9(2) . . ?
C13 N5 C17 116.8(2) . . ?
C18 N6 N7 106.1(2) . . ?
C19 N7 N6 106.1(2) . . ?
C20 N8 C24 116.3(2) . . ?
C19 O2 C18 102.54(18) . . ?
O12 Cl O11 108.1(2) . . ?
O12 Cl O14 109.45(17) . . ?
O11 Cl O14 110.48(18) . . ?
O12 Cl O13 111.9(2) . . ?
O11 Cl O13 107.37(17) . . ?
O14 Cl O13 109.55(13) . . ?
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
Cu N1 2.0282(18) . ?
Cu N1 2.0282(18) 3_556 ?
Cu N4 2.0726(18) 2_545 ?
Cu N4 2.0726(18) 4_566 ?
Cu O3 2.5027(18) . ?
C1 N1 1.348(3) . ?
C1 C2 1.384(3) . ?
C2 C3 1.393(3) . ?
C3 C4 1.390(3) . ?
C3 C6 1.466(3) . ?
C4 C5 1.378(3) . ?
C5 N1 1.349(3) . ?
C6 N2 1.291(3) . ?
C6 O1 1.357(3) . ?
C7 N3 1.293(3) . ?
C7 O1 1.354(3) . ?
C7 C10 1.469(3) . ?
C8 N4 1.340(3) . ?
C8 C9 1.378(3) . ?
C9 C10 1.391(3) . ?
C10 C11 1.392(3) . ?
C11 C12 1.379(3) . ?
C12 N4 1.358(3) . ?
N2 N3 1.412(3) . ?
N4 Cu 2.0726(18) 2 ?
C13 N5 1.337(3) . ?
C13 C14 1.383(4) . ?
C14 C15 1.400(3) . ?
C15 C16 1.390(3) . ?
C15 C18 1.457(3) . ?
C16 C17 1.384(4) . ?
C17 N5 1.352(3) . ?
C18 N6 1.292(3) . ?
C18 O2 1.364(3) . ?
C19 N7 1.289(3) . ?
C19 O2 1.363(3) . ?
C19 C22 1.463(3) . ?
C20 N8 1.341(3) . ?
C20 C21 1.387(3) . ?
C21 C22 1.390(3) . ?
C22 C23 1.391(3) . ?
C23 C24 1.384(3) . ?
C24 N8 1.342(3) . ?
N6 N7 1.411(3) . ?
Cl O12 1.396(3) . ?
Cl O11 1.409(3) . ?
Cl O14 1.427(2) . ?
Cl O13 1.431(2) . ?
O1S C1S 1.452(9) . ?
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
O3 H3A N5 0.824(18) 2.002(19) 2.804(3) 164(3) 2_546
O3 H3B O2S 0.827(19) 2.53(4) 3.035(7) 120(3) 1_455
O3 H3B N6 0.827(19) 2.42(3) 3.155(3) 148(4) .
O1S H1S O13 0.84 2.06 2.854(7) 158.2 .
O2S H2SA O13 0.85 2.32 3.167(8) 179.7 .
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
N1 C1 C2 C3 1.7(3) . . . . ?
C1 C2 C3 C4 -5.3(3) . . . . ?
C1 C2 C3 C6 171.7(2) . . . . ?
C2 C3 C4 C5 3.9(3) . . . . ?
C6 C3 C4 C5 -173.2(2) . . . . ?
C3 C4 C5 N1 1.4(4) . . . . ?
C4 C3 C6 N2 -165.8(2) . . . . ?
C2 C3 C6 N2 17.2(4) . . . . ?
C4 C3 C6 O1 16.2(3) . . . . ?
C2 C3 C6 O1 -160.7(2) . . . . ?
N4 C8 C9 C10 0.5(4) . . . . ?
C8 C9 C10 C11 1.9(4) . . . . ?
C8 C9 C10 C7 -178.3(2) . . . . ?
N3 C7 C10 C9 -170.4(2) . . . . ?
O1 C7 C10 C9 9.7(3) . . . . ?
N3 C7 C10 C11 9.4(4) . . . . ?
O1 C7 C10 C11 -170.5(2) . . . . ?
C9 C10 C11 C12 -2.2(3) . . . . ?
C7 C10 C11 C12 178.1(2) . . . . ?
C10 C11 C12 N4 -0.1(3) . . . . ?
C2 C1 N1 C5 3.4(3) . . . . ?
C2 C1 N1 Cu -171.64(16) . . . . ?
C4 C5 N1 C1 -5.0(3) . . . . ?
C4 C5 N1 Cu 170.33(18) . . . . ?
N1 Cu N1 C1 106(100) 3_556 . . . ?
N4 Cu N1 C1 135.34(18) 2_545 . . . ?
N4 Cu N1 C1 -44.66(18) 4_566 . . . ?
O3 Cu N1 C1 -136.25(18) . . . . ?
N1 Cu N1 C5 -69(100) 3_556 . . . ?
N4 Cu N1 C5 -39.68(17) 2_545 . . . ?
N4 Cu N1 C5 140.32(17) 4_566 . . . ?
O3 Cu N1 C5 48.73(17) . . . . ?
O1 C6 N2 N3 -0.6(3) . . . . ?
C3 C6 N2 N3 -178.6(2) . . . . ?
O1 C7 N3 N2 -0.3(3) . . . . ?
C10 C7 N3 N2 179.8(2) . . . . ?
C6 N2 N3 C7 0.5(3) . . . . ?
C9 C8 N4 C12 -2.7(3) . . . . ?
C9 C8 N4 Cu 166.03(19) . . . 2 ?
C11 C12 N4 C8 2.5(3) . . . . ?
C11 C12 N4 Cu -165.65(17) . . . 2 ?
N3 C7 O1 C6 -0.1(3) . . . . ?
C10 C7 O1 C6 179.8(2) . . . . ?
N2 C6 O1 C7 0.5(2) . . . . ?
C3 C6 O1 C7 178.78(19) . . . . ?
N5 C13 C14 C15 0.2(4) . . . . ?
C13 C14 C15 C16 0.7(4) . . . . ?
C13 C14 C15 C18 -177.9(2) . . . . ?
C14 C15 C16 C17 -1.1(4) . . . . ?
C18 C15 C16 C17 177.5(2) . . . . ?
C15 C16 C17 N5 0.7(4) . . . . ?
C16 C15 C18 N6 -10.0(4) . . . . ?
C14 C15 C18 N6 168.6(3) . . . . ?
C16 C15 C18 O2 173.5(2) . . . . ?
C14 C15 C18 O2 -7.9(3) . . . . ?
N8 C20 C21 C22 0.0(4) . . . . ?
C20 C21 C22 C23 -1.5(3) . . . . ?
C20 C21 C22 C19 177.7(2) . . . . ?
N7 C19 C22 C21 -170.5(3) . . . . ?
O2 C19 C22 C21 7.2(3) . . . . ?
N7 C19 C22 C23 8.6(4) . . . . ?
O2 C19 C22 C23 -173.6(2) . . . . ?
C21 C22 C23 C24 1.8(4) . . . . ?
C19 C22 C23 C24 -177.4(2) . . . . ?
C22 C23 C24 N8 -0.6(4) . . . . ?
C14 C13 N5 C17 -0.6(4) . . . . ?
C16 C17 N5 C13 0.1(4) . . . . ?
O2 C18 N6 N7 -0.3(3) . . . . ?
C15 C18 N6 N7 -176.9(2) . . . . ?
O2 C19 N7 N6 0.1(3) . . . . ?
C22 C19 N7 N6 178.0(2) . . . . ?
C18 N6 N7 C19 0.2(3) . . . . ?
C21 C20 N8 C24 1.2(4) . . . . ?
C23 C24 N8 C20 -0.9(4) . . . . ?
N7 C19 O2 C18 -0.2(3) . . . . ?
C22 C19 O2 C18 -178.4(2) . . . . ?
N6 C18 O2 C19 0.3(3) . . . . ?
C15 C18 O2 C19 177.3(2) . . . . ?
