#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/21/2232104.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2232104
loop_
_publ_author_name
'Hu, Xi-Ying'
'Zhai, Wen-Hang'
'Ma, Ning'
'Yang, Guang-Rui'
_publ_section_title
;
 Poly[(5,5'-dimethyl-2,2'-bipyridine-κ²N,N')(μ₃-5-hydroxyisophthalato-κ⁴O¹:O³,O^3'^:O^3'^)cadmium]
;
_journal_coeditor_code           XU5315
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1352
_journal_paper_doi               10.1107/S1600536811035975
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd (C8 H4 O5) (C12 H12 N2)]'
_chemical_formula_moiety         'C20 H16 Cd N2 O5 '
_chemical_formula_sum            'C20 H16 Cd N2 O5'
_chemical_formula_weight         476.75
_chemical_name_systematic
;
Poly[(5,5'-dimethyl-2,2'-bipyridine-κ²N,N')(μ₃-5-
hydroxyisophthalato-
κ⁴O¹:O³,O^3'^:O^3'^)cadmium]
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 125.235(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7650(2)
_cell_length_b                   13.0111(3)
_cell_length_c                   16.5272(4)
_cell_measurement_reflns_used    4955
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.2011
_cell_measurement_theta_min      2.9704
_cell_volume                     1890.77(9)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'ω 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  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7327
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.98
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.189
_exptl_absorpt_correction_T_max  0.8056
_exptl_absorpt_correction_T_min  0.7883
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.493
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         3315
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0329P)²+0.4400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0633
_reflns_number_gt                2963
_reflns_number_total             3315
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            xu5315.cif
_cod_data_source_block           I
_cod_original_cell_volume        1890.77(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2232104
_cod_database_fobs_code          2232104
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd Cd1 0.33624(2) 0.908899(14) 0.465227(14) 0.02455(9) Uani d . 1 1 . .
O O1 0.4236(3) 0.79166(15) 0.58085(15) 0.0445(5) Uani d . 1 1 . .
O O2 0.4437(3) 0.68188(19) 0.48809(18) 0.0605(7) Uani d . 1 1 . .
O O3 0.3021(2) 0.63401(16) 0.81224(15) 0.0398(5) Uani d . 1 1 . .
O O4 0.4714(2) 0.51992(16) 0.90921(14) 0.0380(5) Uani d . 1 1 . .
O O5 0.5449(3) 0.34087(16) 0.66869(17) 0.0482(6) Uani d . 1 1 . .
H H5 0.5532 0.3368 0.6225 0.072 Uiso calc R 1 1 . .
N N1 0.0946(3) 0.8445(2) 0.4020(2) 0.0447(7) Uani d . 1 1 . .
N N2 0.1680(3) 1.0450(2) 0.42515(19) 0.0387(6) Uani d . 1 1 A .
C C1 0.4423(3) 0.7026(2) 0.5600(2) 0.0311(6) Uani d . 1 1 . .
C C2 0.4028(3) 0.5714(2) 0.83066(19) 0.0234(6) Uani d . 1 1 . .
C C3 0.4561(3) 0.6172(2) 0.62673(19) 0.0268(6) Uani d . 1 1 . .
C C4 0.4971(3) 0.5188(2) 0.6169(2) 0.0331(7) Uani d . 1 1 . .
H H4 0.5166 0.5067 0.5697 0.040 Uiso calc R 1 1 . .
C C5 0.5091(3) 0.4393(2) 0.6761(2) 0.0310(6) Uani d . 1 1 . .
C C6 0.4842(3) 0.4582(2) 0.74822(19) 0.0269(6) Uani d . 1 1 . .
H H6 0.4975 0.4059 0.7909 0.032 Uiso calc R 1 1 . .
C C7 0.4394(3) 0.5551(2) 0.75669(18) 0.0224(5) Uani d . 1 1 . .
C C8 0.4245(3) 0.6349(2) 0.69598(19) 0.0251(6) Uani d . 1 1 . .
H H8 0.3936 0.6997 0.7016 0.030 Uiso calc R 1 1 . .
C C9 0.0650(4) 0.7438(3) 0.3945(3) 0.0666(12) Uani d . 1 1 A .
H H9 0.1411 0.6988 0.4064 0.080 Uiso calc R 1 1 . .
C C10 -0.0689(4) 0.7022(3) 0.3704(4) 0.0818(15) Uani d . 1 1 . .
C C11 -0.0818(12) 0.5869(7) 0.3935(10) 0.0662(17) Uani d PU 0.464(11) 1 A 1
H H11A -0.0717 0.5426 0.3511 0.099 Uiso calc PR 0.464(11) 1 A 1
H H11B -0.1789 0.5758 0.3820 0.099 Uiso calc PR 0.464(11) 1 A 1
H H11C -0.0024 0.5720 0.4614 0.099 Uiso calc PR 0.464(11) 1 A 1
C C11' -0.0983(10) 0.5886(6) 0.3397(9) 0.0662(17) Uani d PU 0.536(11) 1 A 2
H H11D -0.1467 0.5832 0.2697 0.099 Uiso calc PR 0.536(11) 1 A 2
H H11E -0.1632 0.5594 0.3560 0.099 Uiso calc PR 0.536(11) 1 A 2
H H11F -0.0034 0.5521 0.3744 0.099 Uiso calc PR 0.536(11) 1 A 2
C C12 -0.1789(4) 0.7708(3) 0.3531(3) 0.0741(13) Uani d . 1 1 A .
H H12 -0.2718 0.7465 0.3372 0.089 Uiso calc R 1 1 . .
C C13 -0.1532(4) 0.8742(3) 0.3590(3) 0.0603(11) Uani d . 1 1 . .
H H13 -0.2283 0.9202 0.3470 0.072 Uiso calc R 1 1 A .
C C14 -0.0139(3) 0.9107(2) 0.3832(2) 0.0395(8) Uani d . 1 1 A .
C C15 0.0231(3) 1.0213(3) 0.3885(2) 0.0399(7) Uani d . 1 1 . .
C C16 -0.0843(4) 1.0982(3) 0.3547(3) 0.0659(12) Uani d . 1 1 A .
H H16 -0.1840 1.0817 0.3308 0.079 Uiso calc R 1 1 . .
C C17 -0.0446(4) 1.1988(3) 0.3560(3) 0.0726(13) Uani d . 1 1 . .
H H17 -0.1181 1.2500 0.3316 0.087 Uiso calc R 1 1 A .
C C18 0.1026(4) 1.2240(3) 0.3932(3) 0.0629(11) Uani d U 1 1 A .
C C19 0.1526(5) 1.3337(3) 0.3959(4) 0.0828(13) Uani d U 1 1 . .
H H19A 0.0711 1.3708 0.3399 0.124 Uiso calc R 1 1 A .
H H19B 0.2396 1.3334 0.3935 0.124 Uiso calc R 1 1 . .
H H19C 0.1787 1.3663 0.4559 0.124 Uiso calc R 1 1 . .
C C20 0.2049(4) 1.1434(3) 0.4275(3) 0.0523(9) Uani d . 1 1 . .
H H20 0.3059 1.1587 0.4539 0.063 Uiso calc R 1 1 A .
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'
Cd Cd -0.8075 1.2024 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Cd1 O4 . 4_575 125.02(8)
O1 Cd1 N1 . . 86.97(9)
O4 Cd1 N1 4_575 . 139.44(9)
O1 Cd1 N2 . . 130.36(9)
O4 Cd1 N2 4_575 . 98.40(8)
N1 Cd1 N2 . . 70.33(9)
O1 Cd1 O4 . 2_656 86.70(7)
O4 Cd1 O4 4_575 2_656 71.16(7)
N1 Cd1 O4 . 2_656 142.19(8)
N2 Cd1 O4 . 2_656 85.97(8)
O1 Cd1 O3 . 4_575 119.01(8)
O4 Cd1 O3 4_575 4_575 54.77(6)
N1 Cd1 O3 . 4_575 89.50(8)
N2 Cd1 O3 . 4_575 104.75(8)
O4 Cd1 O3 2_656 4_575 125.72(6)
O1 Cd1 C2 . 4_575 126.71(8)
O4 Cd1 C2 4_575 4_575 27.45(7)
N1 Cd1 C2 . 4_575 114.91(9)
N2 Cd1 C2 . 4_575 102.94(8)
O4 Cd1 C2 2_656 4_575 98.53(7)
O3 Cd1 C2 4_575 4_575 27.32(7)
C1 O1 Cd1 . . 117.35(18)
C2 O3 Cd1 . 4_576 90.45(16)
C2 O4 Cd1 . 4_576 93.99(15)
C2 O4 Cd1 . 2_646 156.69(17)
Cd1 O4 Cd1 4_576 2_646 108.84(7)
C5 O5 H5 . . 109.5
C9 N1 C14 . . 118.8(3)
C9 N1 Cd1 . . 122.6(2)
C14 N1 Cd1 . . 118.2(2)
C20 N2 C15 . . 118.9(3)
C20 N2 Cd1 . . 123.3(2)
C15 N2 Cd1 . . 117.5(2)
O2 C1 O1 . . 124.1(3)
O2 C1 C3 . . 119.6(3)
O1 C1 C3 . . 116.3(2)
O3 C2 O4 . . 120.8(2)
O3 C2 C7 . . 119.6(2)
O4 C2 C7 . . 119.6(2)
O3 C2 Cd1 . 4_576 62.23(14)
O4 C2 Cd1 . 4_576 58.55(13)
C7 C2 Cd1 . 4_576 177.30(18)
C8 C3 C4 . . 119.5(2)
C8 C3 C1 . . 120.8(2)
C4 C3 C1 . . 119.7(2)
C5 C4 C3 . . 120.8(2)
C5 C4 H4 . . 119.6
C3 C4 H4 . . 119.6
O5 C5 C4 . . 123.8(2)
O5 C5 C6 . . 116.7(2)
C4 C5 C6 . . 119.5(3)
C5 C6 C7 . . 120.0(2)
C5 C6 H6 . . 120.0
C7 C6 H6 . . 120.0
C6 C7 C8 . . 120.6(2)
C6 C7 C2 . . 118.8(2)
C8 C7 C2 . . 120.6(2)
C7 C8 C3 . . 119.4(2)
C7 C8 H8 . . 120.3
C3 C8 H8 . . 120.3
N1 C9 C10 . . 124.7(3)
N1 C9 H9 . . 117.7
C10 C9 H9 . . 117.7
C9 C10 C12 . . 116.2(4)
C9 C10 C11' . . 117.3(5)
C12 C10 C11' . . 124.6(4)
C9 C10 C11 . . 122.1(5)
C12 C10 C11 . . 118.9(5)
C10 C11 H11A . . 109.5
C10 C11 H11B . . 109.5
C10 C11 H11C . . 109.5
C10 C11' H11D . . 109.5
C10 C11' H11E . . 109.5
H11D C11' H11E . . 109.5
C10 C11' H11F . . 109.5
H11D C11' H11F . . 109.5
H11E C11' H11F . . 109.5
C13 C12 C10 . . 120.6(3)
C13 C12 H12 . . 119.7
C10 C12 H12 . . 119.7
C12 C13 C14 . . 119.7(3)
C12 C13 H13 . . 120.1
C14 C13 H13 . . 120.1
N1 C14 C13 . . 119.9(3)
N1 C14 C15 . . 116.3(3)
C13 C14 C15 . . 123.7(3)
N2 C15 C16 . . 120.0(3)
N2 C15 C14 . . 116.9(3)
C16 C15 C14 . . 123.1(3)
C17 C16 C15 . . 120.3(3)
C17 C16 H16 . . 119.9
C15 C16 H16 . . 119.9
C18 C17 C16 . . 120.3(3)
C18 C17 H17 . . 119.8
C16 C17 H17 . . 119.8
C17 C18 C20 . . 116.4(4)
C17 C18 C19 . . 122.6(3)
C20 C18 C19 . . 121.1(3)
C18 C19 H19A . . 109.5
C18 C19 H19B . . 109.5
H19A C19 H19B . . 109.5
C18 C19 H19C . . 109.5
H19A C19 H19C . . 109.5
H19B C19 H19C . . 109.5
N2 C20 C18 . . 124.2(3)
N2 C20 H20 . . 117.9
C18 C20 H20 . . 117.9
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cd1 O1 . 2.1884(19) y
Cd1 O3 4_575 2.4015(19) y
Cd1 O4 4_575 2.3209(18) y
Cd1 O4 2_656 2.3922(19) y
Cd1 N1 . 2.329(2) y
Cd1 N2 . 2.340(2) y
O1 C1 . 1.257(3) ?
O2 C1 . 1.229(3) ?
O3 C2 . 1.246(3) ?
O3 Cd1 4_576 2.4015(19) ?
O4 C2 . 1.254(3) ?
O4 Cd1 4_576 2.3209(18) ?
O4 Cd1 2_646 2.3922(18) ?
O5 C5 . 1.363(3) ?
O5 H5 . 0.8200 ?
N1 C9 . 1.337(4) ?
N1 C14 . 1.335(4) ?
N2 C20 . 1.333(4) ?
N2 C15 . 1.343(4) ?
C1 C3 . 1.511(4) ?
C2 C7 . 1.500(3) ?
C2 Cd1 4_576 2.714(3) ?
C3 C8 . 1.389(4) ?
C3 C4 . 1.394(4) ?
C4 C5 . 1.379(4) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.386(4) ?
C6 C7 . 1.386(4) ?
C6 H6 . 0.9300 ?
C7 C8 . 1.387(4) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.367(5) ?
C9 H9 . 0.9300 ?
C10 C12 . 1.374(6) ?
C10 C11' . 1.536(9) ?
C10 C11 . 1.574(10) ?
C11 H11A . 0.9600 ?
C11 H11B . 0.9600 ?
C11 H11C . 0.9600 ?
C11' H11D . 0.9600 ?
C11' H11E . 0.9600 ?
C11' H11F . 0.9600 ?
C12 C13 . 1.367(6) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.394(5) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.482(4) ?
C15 C16 . 1.380(5) ?
C16 C17 . 1.373(5) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.368(5) ?
C17 H17 . 0.9300 ?
C18 C20 . 1.384(5) ?
C18 C19 . 1.517(6) ?
C19 H19A . 0.9600 ?
C19 H19B . 0.9600 ?
C19 H19C . 0.9600 ?
C20 H20 . 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O5 H5 O2 3_666 0.82 1.86 2.680(3) 174
C6 H6 O1 2_646 0.93 2.31 3.229(3) 169
C17 H17 O3 3_576 0.93 2.53 3.355(5) 147
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O4 Cd1 O1 C1 4_575 . -70.7(2)
N1 Cd1 O1 C1 . . 82.4(2)
N2 Cd1 O1 C1 . . 143.3(2)
O4 Cd1 O1 C1 2_656 . -134.8(2)
O3 Cd1 O1 C1 4_575 . -5.3(2)
C2 Cd1 O1 C1 4_575 . -36.7(2)
O1 Cd1 N1 C9 . . -43.2(3)
O4 Cd1 N1 C9 4_575 . 102.1(3)
N2 Cd1 N1 C9 . . -178.2(3)
O4 Cd1 N1 C9 2_656 . -123.8(3)
O3 Cd1 N1 C9 4_575 . 75.9(3)
C2 Cd1 N1 C9 4_575 . 86.3(3)
O1 Cd1 N1 C14 . . 129.2(3)
O4 Cd1 N1 C14 4_575 . -85.5(3)
N2 Cd1 N1 C14 . . -5.9(2)
O4 Cd1 N1 C14 2_656 . 48.5(3)
O3 Cd1 N1 C14 4_575 . -111.7(2)
C2 Cd1 N1 C14 4_575 . -101.4(2)
O1 Cd1 N2 C20 . . 119.8(3)
O4 Cd1 N2 C20 4_575 . -32.6(3)
N1 Cd1 N2 C20 . . -172.3(3)
O4 Cd1 N2 C20 2_656 . 37.6(3)
O3 Cd1 N2 C20 4_575 . -88.3(3)
C2 Cd1 N2 C20 4_575 . -60.2(3)
O1 Cd1 N2 C15 . . -67.1(3)
O4 Cd1 N2 C15 4_575 . 140.4(2)
N1 Cd1 N2 C15 . . 0.7(2)
O4 Cd1 N2 C15 2_656 . -149.3(2)
O3 Cd1 N2 C15 4_575 . 84.8(2)
C2 Cd1 N2 C15 4_575 . 112.8(2)
Cd1 O1 C1 O2 . . 14.9(4)
Cd1 O1 C1 C3 . . -162.18(18)
Cd1 O3 C2 O4 4_576 . -0.4(3)
Cd1 O3 C2 C7 4_576 . 177.8(2)
Cd1 O4 C2 O3 4_576 . 0.5(3)
Cd1 O4 C2 O3 2_646 . -168.2(3)
Cd1 O4 C2 C7 4_576 . -177.7(2)
Cd1 O4 C2 C7 2_646 . 13.6(6)
Cd1 O4 C2 Cd1 2_646 4_576 -168.7(5)
O2 C1 C3 C8 . . -167.0(3)
O1 C1 C3 C8 . . 10.3(4)
O2 C1 C3 C4 . . 11.3(4)
O1 C1 C3 C4 . . -171.5(3)
C8 C3 C4 C5 . . -1.1(4)
C1 C3 C4 C5 . . -179.3(3)
C3 C4 C5 O5 . . 178.3(3)
C3 C4 C5 C6 . . -1.8(4)
O5 C5 C6 C7 . . -176.5(3)
C4 C5 C6 C7 . . 3.6(4)
C5 C6 C7 C8 . . -2.4(4)
C5 C6 C7 C2 . . 175.8(2)
O3 C2 C7 C6 . . -146.8(3)
O4 C2 C7 C6 . . 31.5(4)
O3 C2 C7 C8 . . 31.5(4)
O4 C2 C7 C8 . . -150.3(3)
C6 C7 C8 C3 . . -0.5(4)
C2 C7 C8 C3 . . -178.7(2)
C4 C3 C8 C7 . . 2.2(4)
C1 C3 C8 C7 . . -179.5(2)
C14 N1 C9 C10 . . -1.4(7)
Cd1 N1 C9 C10 . . 170.9(4)
N1 C9 C10 C12 . . 0.0(8)
N1 C9 C10 C11' . . 165.1(6)
N1 C9 C10 C11 . . -161.0(7)
C9 C10 C12 C13 . . 0.7(8)
C11' C10 C12 C13 . . -163.1(7)
C11 C10 C12 C13 . . 162.4(7)
C10 C12 C13 C14 . . -0.2(7)
C9 N1 C14 C13 . . 1.9(5)
Cd1 N1 C14 C13 . . -170.8(3)
C9 N1 C14 C15 . . -177.4(3)
Cd1 N1 C14 C15 . . 9.9(4)
C12 C13 C14 N1 . . -1.1(6)
C12 C13 C14 C15 . . 178.1(4)
C20 N2 C15 C16 . . -0.4(5)
Cd1 N2 C15 C16 . . -173.7(3)
C20 N2 C15 C14 . . 177.3(3)
Cd1 N2 C15 C14 . . 3.9(4)
N1 C14 C15 N2 . . -9.2(5)
C13 C14 C15 N2 . . 171.6(3)
N1 C14 C15 C16 . . 168.4(4)
C13 C14 C15 C16 . . -10.9(6)
N2 C15 C16 C17 . . 1.6(7)
C14 C15 C16 C17 . . -175.9(4)
C15 C16 C17 C18 . . -1.6(8)
C16 C17 C18 C20 . . 0.5(7)
C16 C17 C18 C19 . . 179.5(5)
C15 N2 C20 C18 . . -0.8(6)
Cd1 N2 C20 C18 . . 172.2(3)
C17 C18 C20 N2 . . 0.7(6)
C19 C18 C20 N2 . . -178.3(4)
