#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/89/2018944.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_2018944
loop_
_publ_author_name
'Zhang, Yue-Feng'
'Ma, Jian-Ping'
'Liu, Qi-Kui'
'Dong, Yu-Bin'
_publ_section_title
;
 Two one-dimensional coordination polymers generated from a new
 benzimidazole bridging ligand and CdX₂ (X = Br and I)
;
_journal_coeditor_code           EG3111
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              476
_journal_page_last               479
_journal_paper_doi               10.1107/S0108270113006471
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cd Br2 (C24 H18 N4)] , H2 O'
_chemical_formula_moiety         'C24 H18 Br2 Cd N4, H2 O'
_chemical_formula_sum            'C24 H20 Br2 Cd N4 O'
_chemical_formula_weight         652.66
_chemical_name_systematic
'catena-Poly[[[dibromidocadmium(II)]-μ₃-1-[(pyridin-3-yl)methyl]-2-[4-(pyridin-3-yl)phenyl]-1H-benzimidazole] monohydrate]'
_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           SHELXL97
_cell_angle_alpha                101.504(3)
_cell_angle_beta                 107.424(3)
_cell_angle_gamma                99.561(3)
_cell_formula_units_Z            2
_cell_length_a                   9.379(2)
_cell_length_b                   10.023(2)
_cell_length_c                   13.773(3)
_cell_measurement_reflns_used    3305
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.075
_cell_measurement_theta_min      2.284
_cell_volume                     1174.7(4)
_computing_cell_refinement       'SMART (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0722
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6132
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    4.355
_exptl_absorpt_correction_T_max  0.6230
_exptl_absorpt_correction_T_min  0.3752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.845
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.026
_refine_diff_density_min         -1.625
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4256
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0624
_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)+(0.0941P)²+1.6163P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1669
_refine_ls_wR_factor_ref         0.1784
_reflns_number_gt                3348
_reflns_number_total             4256
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            eg3111.cif
_cod_data_source_block           I
_cod_original_cell_volume        1174.7(5)
_cod_original_sg_symbol_Hall     -P1
_cod_database_code               2018944
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Br Br1 0.72809(12) 0.13263(12) 0.08554(8) 0.0669(3) Uani d . 1 1
Br Br2 0.50224(10) -0.02270(10) 0.31475(8) 0.0564(3) Uani d . 1 1
C C1 0.7284(9) 0.8361(9) -0.1574(6) 0.0447(19) Uani d . 1 1
H H1 0.7302 0.8830 -0.2090 0.054 Uiso calc R 1 1
C C2 0.8654(10) 0.8238(11) -0.0919(7) 0.054(2) Uani d . 1 1
H H2 0.9577 0.8601 -0.1000 0.064 Uiso calc R 1 1
C C3 0.8640(10) 0.7573(10) -0.0145(7) 0.051(2) Uani d . 1 1
H H3 0.9556 0.7473 0.0303 0.061 Uiso calc R 1 1
C C4 0.7246(8) 0.7048(8) -0.0032(6) 0.0348(16) Uani d . 1 1
C C5 0.5922(8) 0.7210(8) -0.0741(6) 0.0364(17) Uani d . 1 1
H H5 0.4980 0.6861 -0.0677 0.044 Uiso calc R 1 1
C C6 0.7147(8) 0.6424(8) 0.0847(6) 0.0361(17) Uani d . 1 1
C C7 0.6005(8) 0.6606(8) 0.1269(6) 0.0348(16) Uani d . 1 1
H H7 0.5261 0.7048 0.0961 0.042 Uiso calc R 1 1
C C8 0.5952(8) 0.6144(8) 0.2135(6) 0.0357(16) Uani d . 1 1
H H8 0.5169 0.6271 0.2403 0.043 Uiso calc R 1 1
C C9 0.7062(8) 0.5486(7) 0.2616(6) 0.0345(16) Uani d . 1 1
C C10 0.8169(9) 0.5250(8) 0.2178(6) 0.0431(19) Uani d . 1 1
H H10 0.8881 0.4767 0.2468 0.052 Uiso calc R 1 1
C C11 0.8230(9) 0.5726(8) 0.1305(6) 0.0427(18) Uani d . 1 1
H H11 0.8996 0.5578 0.1025 0.051 Uiso calc R 1 1
C C12 0.7061(8) 0.5069(8) 0.3580(5) 0.0333(16) Uani d . 1 1
C C13 0.7188(8) 0.3921(8) 0.4776(6) 0.0352(16) Uani d . 1 1
C C14 0.7294(10) 0.2935(9) 0.5360(6) 0.047(2) Uani d . 1 1
H H14 0.7313 0.2021 0.5066 0.057 Uiso calc R 1 1
C C15 0.7368(10) 0.3366(10) 0.6388(7) 0.053(2) Uani d . 1 1
H H15 0.7453 0.2728 0.6796 0.064 Uiso calc R 1 1
C C16 0.7322(10) 0.4709(10) 0.6838(7) 0.053(2) Uani d . 1 1
H H16 0.7396 0.4957 0.7542 0.064 Uiso calc R 1 1
C C17 0.7169(9) 0.5691(9) 0.6268(6) 0.047(2) Uani d . 1 1
H H17 0.7104 0.6590 0.6560 0.057 Uiso calc R 1 1
C C18 0.7115(8) 0.5260(8) 0.5227(6) 0.0380(17) Uani d . 1 1
C C19 0.7062(9) 0.7475(8) 0.4641(7) 0.0453(19) Uani d . 1 1
H H19A 0.6173 0.7624 0.4829 0.054 Uiso calc R 1 1
H H19B 0.6970 0.7741 0.3989 0.054 Uiso calc R 1 1
C C20 0.8490(8) 0.8410(7) 0.5493(6) 0.0340(16) Uani d . 1 1
C C21 0.8425(9) 0.9734(8) 0.5980(7) 0.046(2) Uani d . 1 1
H H21 0.7514 1.0026 0.5790 0.056 Uiso calc R 1 1
C C22 0.9733(11) 1.0613(10) 0.6751(9) 0.074(3) Uani d . 1 1
H H22 0.9718 1.1506 0.7094 0.089 Uiso calc R 1 1
C C23 1.1053(11) 1.0151(9) 0.7002(9) 0.068(3) Uani d . 1 1
H H23 1.1935 1.0765 0.7509 0.081 Uiso calc R 1 1
C C24 0.9868(8) 0.8034(8) 0.5820(6) 0.0384(17) Uani d . 1 1
H H24 0.9911 0.7138 0.5503 0.046 Uiso calc R 1 1
Cd Cd1 0.64339(6) 0.16969(6) 0.24849(4) 0.0364(2) Uani d . 1 1
N N1 0.5924(7) 0.7835(7) -0.1503(5) 0.0393(15) Uani d . 1 1
N N2 0.7140(7) 0.3821(6) 0.3747(5) 0.0363(14) Uani d . 1 1
N N3 0.7043(7) 0.5982(6) 0.4458(5) 0.0350(14) Uani d . 1 1
N N4 1.1153(7) 0.8880(7) 0.6567(6) 0.0488(17) Uani d . 1 1
O O1 0.7725(9) 0.2847(11) -0.1092(7) 0.104(3) Uani d . 1 1
H H1A 0.7634 0.2575 -0.0559 0.125 Uiso d R 1 1
H H1B 0.7134 0.2208 -0.1642 0.125 Uiso d R 1 1
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'
Br Br -0.2901 2.4595 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cd1 Br1 H1A . . 140.3 ?
N1 C1 C2 . . 122.9(7) ?
N1 C1 H1 . . 118.6 ?
C2 C1 H1 . . 118.6 ?
C3 C2 C1 . . 119.0(8) ?
C3 C2 H2 . . 120.5 ?
C1 C2 H2 . . 120.5 ?
C2 C3 C4 . . 119.6(8) ?
C2 C3 H3 . . 120.2 ?
C4 C3 H3 . . 120.2 ?
C5 C4 C3 . . 117.1(7) ?
C5 C4 C6 . . 120.0(6) ?
C3 C4 C6 . . 122.8(7) ?
N1 C5 C4 . . 123.6(7) ?
N1 C5 H5 . . 118.2 ?
C4 C5 H5 . . 118.2 ?
C7 C6 C11 . . 118.5(7) ?
C7 C6 C4 . . 119.5(6) ?
C11 C6 C4 . . 121.9(7) ?
C8 C7 C6 . . 121.2(7) ?
C8 C7 H7 . . 119.4 ?
C6 C7 H7 . . 119.4 ?
C7 C8 C9 . . 120.5(7) ?
C7 C8 H8 . . 119.7 ?
C9 C8 H8 . . 119.7 ?
C10 C9 C8 . . 118.8(7) ?
C10 C9 C12 . . 120.7(7) ?
C8 C9 C12 . . 120.5(7) ?
C9 C10 C11 . . 120.6(7) ?
C9 C10 H10 . . 119.7 ?
C11 C10 H10 . . 119.7 ?
C10 C11 C6 . . 120.3(8) ?
C10 C11 H11 . . 119.9 ?
C6 C11 H11 . . 119.9 ?
N2 C12 N3 . . 111.0(6) ?
N2 C12 C9 . . 126.3(7) ?
N3 C12 C9 . . 122.7(7) ?
C18 C13 N2 . . 109.3(6) ?
C18 C13 C14 . . 119.9(7) ?
N2 C13 C14 . . 130.8(7) ?
C15 C14 C13 . . 117.3(8) ?
C15 C14 H14 . . 121.4 ?
C13 C14 H14 . . 121.4 ?
C14 C15 C16 . . 122.5(8) ?
C14 C15 H15 . . 118.8 ?
C16 C15 H15 . . 118.8 ?
C17 C16 C15 . . 121.4(8) ?
C17 C16 H16 . . 119.3 ?
C15 C16 H16 . . 119.3 ?
C16 C17 C18 . . 116.1(8) ?
C16 C17 H17 . . 122.0 ?
C18 C17 H17 . . 122.0 ?
C13 C18 N3 . . 105.8(7) ?
C13 C18 C17 . . 122.8(7) ?
N3 C18 C17 . . 131.4(7) ?
N3 C19 C20 . . 113.7(6) ?
N3 C19 H19A . . 108.8 ?
C20 C19 H19A . . 108.8 ?
N3 C19 H19B . . 108.8 ?
C20 C19 H19B . . 108.8 ?
H19A C19 H19B . . 107.7 ?
C24 C20 C21 . . 117.7(7) ?
C24 C20 C19 . . 124.1(7) ?
C21 C20 C19 . . 118.2(7) ?
C22 C21 C20 . . 118.9(8) ?
C22 C21 H21 . . 120.6 ?
C20 C21 H21 . . 120.6 ?
C23 C22 C21 . . 118.9(9) ?
C23 C22 H22 . . 120.6 ?
C21 C22 H22 . . 120.6 ?
N4 C23 C22 . . 124.0(8) ?
N4 C23 H23 . . 118.0 ?
C22 C23 H23 . . 118.0 ?
N4 C24 C20 . . 124.1(7) ?
N4 C24 H24 . . 117.9 ?
C20 C24 H24 . . 117.9 ?
N2 Cd1 N1 . 2_665 92.7(2) y
N2 Cd1 N4 . 2_766 89.9(2) y
N1 Cd1 N4 2_665 2_766 177.4(2) y
N2 Cd1 Br1 . . 123.50(15) y
N1 Cd1 Br1 2_665 . 91.39(15) y
N4 Cd1 Br1 2_766 . 86.88(18) y
N2 Cd1 Br2 . . 108.50(15) y
N1 Cd1 Br2 2_665 . 93.21(15) y
N4 Cd1 Br2 2_766 . 86.34(16) y
Br1 Cd1 Br2 . . 127.48(4) y
C5 N1 C1 . . 117.8(7) ?
C5 N1 Cd1 . 2_665 118.4(5) ?
C1 N1 Cd1 . 2_665 123.0(5) ?
C12 N2 C13 . . 106.6(6) ?
C12 N2 Cd1 . . 127.1(5) ?
C13 N2 Cd1 . . 122.8(5) ?
C12 N3 C18 . . 107.3(6) ?
C12 N3 C19 . . 129.1(6) ?
C18 N3 C19 . . 123.4(6) ?
C23 N4 C24 . . 116.4(7) ?
C23 N4 Cd1 . 2_766 113.1(5) ?
C24 N4 Cd1 . 2_766 129.4(5) ?
H1A O1 H1B . . 107.0 ?
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 Br1 . 2.5766(12) y
Cd1 Br2 . 2.6233(10) y
C1 N1 . 1.336(10) ?
C1 C2 . 1.373(12) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.367(12) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.392(11) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.388(10) ?
C4 C6 . 1.488(10) ?
C5 N1 . 1.326(9) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.383(11) ?
C6 C11 . 1.396(10) ?
C7 C8 . 1.374(10) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.396(10) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.378(11) ?
C9 C12 . 1.470(10) ?
C10 C11 . 1.392(11) ?
C10 H10 . 0.9300 ?
C11 H11 . 0.9300 ?
C12 N2 . 1.327(9) ?
C12 N3 . 1.368(9) ?
C13 C18 . 1.384(10) ?
C13 N2 . 1.387(9) ?
C13 C14 . 1.392(10) ?
C14 C15 . 1.372(12) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.379(13) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.376(12) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.396(11) ?
C17 H17 . 0.9300 ?
C18 N3 . 1.389(9) ?
C19 N3 . 1.463(9) ?
C19 C20 . 1.500(10) ?
C19 H19A . 0.9700 ?
C19 H19B . 0.9700 ?
C20 C24 . 1.377(10) ?
C20 C21 . 1.382(11) ?
C21 C22 . 1.377(12) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.365(13) ?
C22 H22 . 0.9300 ?
C23 N4 . 1.327(11) ?
C23 H23 . 0.9300 ?
C24 N4 . 1.342(10) ?
C24 H24 . 0.9300 ?
Cd1 N2 . 2.315(6) y
Cd1 N1 2_665 2.397(6) y
Cd1 N4 2_766 2.475(7) y
N1 Cd1 2_665 2.397(6) ?
N4 Cd1 2_766 2.475(7) ?
O1 H1A . 0.8549 ?
O1 H1B . 0.8530 ?
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
O1 H1B Br2 2_655 0.85 2.62 3.459(9) 169.9
O1 H1A Br1 . 0.85 2.59 3.433(9) 170.2
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
N1 C1 C2 C3 . . -1.3(14)
C1 C2 C3 C4 . . -0.5(14)
C2 C3 C4 C5 . . 1.3(13)
C2 C3 C4 C6 . . -174.5(8)
C3 C4 C5 N1 . . -0.3(12)
C6 C4 C5 N1 . . 175.6(7)
C5 C4 C6 C7 . . -30.2(10)
C3 C4 C6 C7 . . 145.5(8)
C5 C4 C6 C11 . . 153.6(8)
C3 C4 C6 C11 . . -30.7(11)
C11 C6 C7 C8 . . 1.6(11)
C4 C6 C7 C8 . . -174.7(7)
C6 C7 C8 C9 . . 0.5(11)
C7 C8 C9 C10 . . -3.0(11)
C7 C8 C9 C12 . . 176.3(7)
C8 C9 C10 C11 . . 3.5(11)
C12 C9 C10 C11 . . -175.8(7)
C9 C10 C11 C6 . . -1.4(12)
C7 C6 C11 C10 . . -1.1(11)
C4 C6 C11 C10 . . 175.1(7)
C10 C9 C12 N2 . . -50.4(10)
C8 C9 C12 N2 . . 130.3(8)
C10 C9 C12 N3 . . 126.6(8)
C8 C9 C12 N3 . . -52.7(10)
C18 C13 C14 C15 . . -2.0(11)
N2 C13 C14 C15 . . 177.9(8)
C13 C14 C15 C16 . . 0.8(13)
C14 C15 C16 C17 . . 1.2(14)
C15 C16 C17 C18 . . -2.1(12)
N2 C13 C18 N3 . . -0.8(8)
C14 C13 C18 N3 . . 179.1(7)
N2 C13 C18 C17 . . -178.8(7)
C14 C13 C18 C17 . . 1.1(11)
C16 C17 C18 C13 . . 0.9(11)
C16 C17 C18 N3 . . -176.5(8)
N3 C19 C20 C24 . . 22.1(12)
N3 C19 C20 C21 . . -158.2(7)
C24 C20 C21 C22 . . 0.9(13)
C19 C20 C21 C22 . . -178.9(9)
C20 C21 C22 C23 . . 0.5(16)
C21 C22 C23 N4 . . -1.8(19)
C21 C20 C24 N4 . . -1.1(12)
C19 C20 C24 N4 . . 178.6(8)
H1A Br1 Cd1 N2 . . -41.4
H1A Br1 Cd1 N1 . 2_665 52.7
H1A Br1 Cd1 N4 . 2_766 -129.2
H1A Br1 Cd1 Br2 . . 147.8
C4 C5 N1 C1 . . -1.4(12)
C4 C5 N1 Cd1 . 2_665 -171.4(6)
C2 C1 N1 C5 . . 2.2(13)
C2 C1 N1 Cd1 . 2_665 171.7(7)
N3 C12 N2 C13 . . -0.4(8)
C9 C12 N2 C13 . . 176.8(7)
N3 C12 N2 Cd1 . . 158.6(5)
C9 C12 N2 Cd1 . . -24.1(10)
C18 C13 N2 C12 . . 0.8(8)
C14 C13 N2 C12 . . -179.1(8)
C18 C13 N2 Cd1 . . -159.4(5)
C14 C13 N2 Cd1 . . 20.7(11)
N1 Cd1 N2 C12 2_665 . -44.9(6)
N4 Cd1 N2 C12 2_766 . 134.7(6)
Br1 Cd1 N2 C12 . . 48.5(6)
Br2 Cd1 N2 C12 . . -139.2(5)
N1 Cd1 N2 C13 2_665 . 111.0(5)
N4 Cd1 N2 C13 2_766 . -69.4(5)
Br1 Cd1 N2 C13 . . -155.6(5)
Br2 Cd1 N2 C13 . . 16.7(6)
N2 C12 N3 C18 . . 0.0(8)
C9 C12 N3 C18 . . -177.5(6)
N2 C12 N3 C19 . . 175.7(6)
C9 C12 N3 C19 . . -1.7(11)
C13 C18 N3 C12 . . 0.5(8)
C17 C18 N3 C12 . . 178.3(8)
C13 C18 N3 C19 . . -175.5(6)
C17 C18 N3 C19 . . 2.2(12)
C20 C19 N3 C12 . . -114.9(8)
C20 C19 N3 C18 . . 60.3(10)
C22 C23 N4 C24 . . 1.6(17)
C22 C23 N4 Cd1 . 2_766 -167.4(10)
C20 C24 N4 C23 . . -0.1(13)
C20 C24 N4 Cd1 . 2_766 166.8(6)
