#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:21:59 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185224 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/49/7224936.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_7224936
loop_
_publ_author_name
'Slabbert, C.'
'Rademeyer, M.'
_publ_section_title
;
 Structures and trends of neutral MXxsolvent4−xtetrahedra and
 anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and
 mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or
 cations
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              4555
_journal_paper_doi               10.1039/C6CE00568C
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety
;
C12 H9 N2, C12 H8 N2, Br3 H2 O Zn, C2 H6 O, H2 O
;
_chemical_formula_sum            'C26 H27 Br3 N4 O3 Zn'
_chemical_formula_weight         748.61
_chemical_name_common
;
phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate
;
_chemical_name_systematic
;
phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     'intrinsic phasing'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2016-03-09 deposited with the CCDC.
2016-04-14 downloaded from the CCDC.
;
_cell_angle_alpha                93.9740(10)
_cell_angle_beta                 99.5510(10)
_cell_angle_gamma                104.5440(10)
_cell_formula_units_Z            2
_cell_length_a                   7.7519(3)
_cell_length_b                   10.0771(4)
_cell_length_c                   18.7817(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1390.97(9)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
;
 ORTEP-3 for Windows (Farrugia, 1997),
 Mercury (Macrae et al., 2008)
;
_computing_publication_material  'SHELXL-2014, PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXTL, SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXTS (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.24
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker kappa, Photon 100 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1050
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            62920
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.259
_exptl_absorpt_coefficient_mu    5.227
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.239
_exptl_crystal_size_mid          0.167
_exptl_crystal_size_min          0.116
_refine_diff_density_max         0.744
_refine_diff_density_min         -0.503
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         5694
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0237
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0333P)²+0.5944P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0634
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5277
_reflns_number_total             5694
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6ce00568c2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7224924--7224939.cif.'
_cod_database_code               7224936
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.4619(3) 0.1442(2) 0.41921(10) 0.0189(4) Uani 1 1 d . .
C2 C 0.6021(3) 0.2613(2) 0.41431(11) 0.0243(4) Uani 1 1 d . .
H2 H 0.6562 0.2679 0.3736 0.029 Uiso 1 1 calc R U
C3 C 0.6563(3) 0.3642(2) 0.47015(12) 0.0279(5) Uani 1 1 d . .
H3 H 0.7492 0.4415 0.4674 0.034 Uiso 1 1 calc R U
C4 C 0.5756(3) 0.3573(2) 0.53272(11) 0.0262(4) Uani 1 1 d . .
H4 H 0.6150 0.4303 0.5698 0.031 Uiso 1 1 calc R U
C5 C 0.4414(3) 0.2450(2) 0.53903(10) 0.0230(4) Uani 1 1 d . .
H5 H 0.3901 0.2413 0.5805 0.028 Uiso 1 1 calc R U
C6 C 0.3790(3) 0.1333(2) 0.48255(10) 0.0183(4) Uani 1 1 d . .
C7 C 0.1909(3) -0.0805(2) 0.43414(10) 0.0188(4) Uani 1 1 d . .
C8 C 0.0515(3) -0.1990(2) 0.43941(11) 0.0250(4) Uani 1 1 d . .
H8 H -0.0020 -0.2047 0.4803 0.030 Uiso 1 1 calc R U
C9 C -0.0040(3) -0.3048(2) 0.38421(12) 0.0292(5) Uani 1 1 d . .
H9 H -0.0959 -0.3823 0.3877 0.035 Uiso 1 1 calc R U
C10 C 0.0771(3) -0.2979(2) 0.32145(12) 0.0288(5) Uani 1 1 d . .
H10 H 0.0386 -0.3718 0.2849 0.035 Uiso 1 1 calc R U
C11 C 0.2097(3) -0.1856(2) 0.31394(11) 0.0244(4) Uani 1 1 d . .
H11 H 0.2608 -0.1818 0.2724 0.029 Uiso 1 1 calc R U
C12 C 0.2687(3) -0.0748(2) 0.37015(10) 0.0183(4) Uani 1 1 d . .
C13 C -0.0793(3) 0.3717(2) 0.01482(10) 0.0178(4) Uani 1 1 d . .
C14 C -0.1659(3) 0.2347(2) 0.02660(11) 0.0236(4) Uani 1 1 d . .
H14 H -0.1391 0.2041 0.0717 0.028 Uiso 1 1 calc R U
C15 C -0.2877(3) 0.1493(2) -0.02832(12) 0.0272(4) Uani 1 1 d . .
H15 H -0.3438 0.0599 -0.0205 0.033 Uiso 1 1 calc R U
C16 C 0.1227(3) 0.5836(2) 0.05511(10) 0.0178(4) Uani 1 1 d . .
C17 C 0.2533(3) 0.6765(2) 0.11062(11) 0.0240(4) Uani 1 1 d . .
H17 H 0.2852 0.6482 0.1559 0.029 Uiso 1 1 calc R U
C18 C 0.3312(3) 0.8063(2) 0.09740(12) 0.0279(5) Uani 1 1 d . .
H18 H 0.4143 0.8673 0.1342 0.034 Uiso 1 1 calc R U
C19 C 0.5936(3) 0.6316(2) -0.00389(10) 0.0179(4) Uani 1 1 d . .
C20 C 0.6982(3) 0.7692(2) -0.00431(11) 0.0229(4) Uani 1 1 d . .
H20 H 0.6844 0.8128 -0.0461 0.027 Uiso 1 1 calc R U
C21 C 0.8181(3) 0.8373(2) 0.05613(12) 0.0258(4) Uani 1 1 d . .
H21 H 0.8865 0.9271 0.0552 0.031 Uiso 1 1 calc R U
C22 C 0.8404(3) 0.7726(2) 0.12110(11) 0.0249(4) Uani 1 1 d . .
H22 H 0.9219 0.8212 0.1622 0.030 Uiso 1 1 calc R U
C23 C 0.7439(3) 0.6411(2) 0.12342(11) 0.0231(4) Uani 1 1 d . .
H23 H 0.7598 0.6002 0.1660 0.028 Uiso 1 1 calc R U
C24 C 0.6189(3) 0.5656(2) 0.06122(10) 0.0182(4) Uani 1 1 d . .
C25 C 0.7317(3) 0.0349(2) 0.24685(11) 0.0234(4) Uani 1 1 d . .
H25A H 0.8179 0.1246 0.2615 0.028 Uiso 1 1 calc R U
H25B H 0.7427 0.0022 0.1984 0.028 Uiso 1 1 calc R U
C26 C 0.7719(3) -0.0644(3) 0.29897(14) 0.0355(5) Uani 1 1 d . .
H26A H 0.8929 -0.0726 0.2995 0.053 Uiso 1 1 calc R U
H26B H 0.7618 -0.0312 0.3468 0.053 Uiso 1 1 calc R U
H26C H 0.6868 -0.1532 0.2839 0.053 Uiso 1 1 calc R U
N1 N 0.4018(2) 0.03830(17) 0.36618(9) 0.0188(3) Uani 1 1 d D .
N2 N 0.2483(2) 0.02252(17) 0.48918(8) 0.0197(3) Uani 1 1 d . .
N3 N 0.0421(2) 0.45616(17) 0.06868(8) 0.0191(3) Uani 1 1 d . .
N4 N 0.4743(2) 0.56554(17) -0.06350(9) 0.0193(3) Uani 1 1 d . .
Zn Zn 0.18957(3) 0.33693(2) 0.27035(2) 0.01775(7) Uani 1 1 d . .
Br1 Br 0.46833(3) 0.51414(2) 0.28126(2) 0.02397(6) Uani 1 1 d . .
Br2 Br 0.17597(3) 0.12990(2) 0.19685(2) 0.02345(6) Uani 1 1 d . .
Br3 Br 0.08525(3) 0.31125(2) 0.38139(2) 0.02665(7) Uani 1 1 d . .
O1 O 0.00656(19) 0.41418(14) 0.20905(7) 0.0193(3) Uani 1 1 d D .
O2 O 0.6418(2) 0.30807(15) 0.18813(8) 0.0237(3) Uani 1 1 d D .
O3 O 0.5515(2) 0.04601(16) 0.24656(7) 0.0233(3) Uani 1 1 d D .
H1O1 H 0.019(4) 0.421(3) 0.1651(10) 0.041(8) Uiso 1 1 d D .
H1O2 H 0.595(4) 0.350(3) 0.2184(13) 0.041(8) Uiso 1 1 d D .
H1O3 H 0.534(5) 0.113(3) 0.2223(16) 0.064(10) Uiso 1 1 d D .
H2O1 H -0.107(2) 0.377(3) 0.2053(14) 0.036(7) Uiso 1 1 d D .
H1N1 H 0.448(4) 0.043(3) 0.3274(12) 0.042(8) Uiso 1 1 d D .
H2O2 H 0.600(5) 0.331(4) 0.1473(13) 0.070(11) Uiso 1 1 d 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'
Zn Zn 0.2839 1.4301 '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'
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
N1 C1 C2 121.90(18) . .
N1 C1 C6 117.30(18) . .
C2 C1 C6 120.79(18) . .
C3 C2 C1 118.62(19) . .
C3 C2 H2 120.7 . .
C1 C2 H2 120.7 . .
C2 C3 C4 121.9(2) . .
C2 C3 H3 119.0 . .
C4 C3 H3 119.0 . .
C5 C4 C3 120.62(19) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C4 C5 C6 120.26(19) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
N2 C6 C5 120.15(17) . .
N2 C6 C1 122.04(18) . .
C5 C6 C1 117.80(19) . .
N2 C7 C8 119.77(18) . .
N2 C7 C12 121.70(19) . .
C8 C7 C12 118.53(18) . .
C9 C8 C7 119.7(2) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C8 C9 C10 120.8(2) . .
C8 C9 H9 119.6 . .
C10 C9 H9 119.6 . .
C11 C10 C9 121.3(2) . .
C11 C10 H10 119.4 . .
C9 C10 H10 119.4 . .
C10 C11 C12 118.88(19) . .
C10 C11 H11 120.6 . .
C12 C11 H11 120.6 . .
N1 C12 C11 121.48(18) . .
N1 C12 C7 117.77(17) . .
C11 C12 C7 120.74(19) . .
N3 C13 C14 119.88(17) . .
N3 C13 C16 120.97(18) . 2_565
C14 C13 C16 119.15(18) . 2_565
C15 C14 C13 119.62(19) . .
C15 C14 H14 120.2 . .
C13 C14 H14 120.2 . .
C14 C15 C18 121.3(2) . 2_565
C14 C15 H15 119.4 . .
C18 C15 H15 119.4 2_565 .
N3 C16 C17 119.98(17) . .
N3 C16 C13 120.95(18) . 2_565
C17 C16 C13 119.07(18) . 2_565
C18 C17 C16 119.91(19) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C15 121.0(2) . 2_565
C17 C18 H18 119.5 . .
C15 C18 H18 119.5 2_565 .
N4 C19 C20 119.93(17) . .
N4 C19 C24 121.19(18) . .
C20 C19 C24 118.88(18) . .
C21 C20 C19 120.27(18) . .
C21 C20 H20 119.9 . .
C19 C20 H20 119.9 . .
C20 C21 C22 120.79(19) . .
C20 C21 H21 119.6 . .
C22 C21 H21 119.6 . .
C23 C22 C21 120.63(19) . .
C23 C22 H22 119.7 . .
C21 C22 H22 119.7 . .
C22 C23 C24 120.43(18) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
N4 C24 C23 120.16(17) 2_665 .
N4 C24 C19 120.86(18) 2_665 .
C23 C24 C19 118.98(18) . .
O3 C25 C26 108.89(17) . .
O3 C25 H25A 109.9 . .
C26 C25 H25A 109.9 . .
O3 C25 H25B 109.9 . .
C26 C25 H25B 109.9 . .
H25A C25 H25B 108.3 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C1 N1 C12 122.69(17) . .
C1 N1 H1N1 119(2) . .
C12 N1 H1N1 118(2) . .
C6 N2 C7 118.48(17) . .
C13 N3 C16 118.07(16) . .
C19 N4 C24 117.94(16) . 2_665
O1 Zn Br3 104.36(4) . .
O1 Zn Br2 102.50(4) . .
Br3 Zn Br2 116.873(11) . .
O1 Zn Br1 103.17(4) . .
Br3 Zn Br1 113.373(11) . .
Br2 Zn Br1 114.262(11) . .
Zn O1 H1O1 115.8(19) . .
Zn O1 H2O1 120.0(18) . .
H1O1 O1 H2O1 103(3) . .
H1O2 O2 H2O2 103(3) . .
C25 O3 H1O3 109(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.341(3) .
C1 C2 1.409(3) .
C1 C6 1.441(3) .
C2 C3 1.354(3) .
C2 H2 0.9300 .
C3 C4 1.418(3) .
C3 H3 0.9300 .
C4 C5 1.358(3) .
C4 H4 0.9300 .
C5 C6 1.420(3) .
C5 H5 0.9300 .
C6 N2 1.334(3) .
C7 N2 1.345(3) .
C7 C8 1.417(3) .
C7 C12 1.430(3) .
C8 C9 1.366(3) .
C8 H8 0.9300 .
C9 C10 1.423(3) .
C9 H9 0.9300 .
C10 C11 1.358(3) .
C10 H10 0.9300 .
C11 C12 1.411(3) .
C11 H11 0.9300 .
C12 N1 1.347(3) .
C13 N3 1.340(3) .
C13 C14 1.425(3) .
C13 C16 1.433(3) 2_565
C14 C15 1.357(3) .
C14 H14 0.9300 .
C15 C18 1.417(3) 2_565
C15 H15 0.9300 .
C16 N3 1.341(3) .
C16 C17 1.424(3) .
C16 C13 1.433(3) 2_565
C17 C18 1.355(3) .
C17 H17 0.9300 .
C18 C15 1.417(3) 2_565
C18 H18 0.9300 .
C19 N4 1.340(3) .
C19 C20 1.421(3) .
C19 C24 1.441(3) .
C20 C21 1.359(3) .
C20 H20 0.9300 .
C21 C22 1.429(3) .
C21 H21 0.9300 .
C22 C23 1.356(3) .
C22 H22 0.9300 .
C23 C24 1.419(3) .
C23 H23 0.9300 .
C24 N4 1.344(3) 2_665
C25 O3 1.429(2) .
C25 C26 1.499(3) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
N1 H1N1 0.863(17) .
N4 C24 1.344(3) 2_665
Zn O1 2.0201(13) .
Zn Br3 2.3664(3) .
Zn Br2 2.3898(3) .
Zn Br1 2.4010(3) .
O1 H1O1 0.851(17) .
O1 H2O1 0.856(17) .
O2 H1O2 0.866(17) .
O2 H2O2 0.851(18) .
O3 H1O3 0.865(18) .
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
C8 H8 Br3 0.93 2.99 3.852(2) 155.8 2_556
C17 H17 Br1 0.93 3.11 4.006(2) 162.1 .
C25 H25A Br3 0.97 2.97 3.814(2) 146.4 1_655
N1 H1N1 O3 0.863(17) 1.830(17) 2.692(2) 177(3) .
O1 H1O1 N3 0.851(17) 1.899(18) 2.746(2) 173(3) .
O2 H1O2 Br1 0.866(17) 2.452(19) 3.2951(16) 165(2) .
O3 H1O3 Br2 0.865(18) 2.79(3) 3.2409(14) 114(3) .
O3 H1O3 O2 0.865(18) 2.12(2) 2.898(2) 149(3) .
O1 H2O1 O2 0.856(17) 1.859(18) 2.711(2) 173(3) 1_455
O2 H2O2 N4 0.851(18) 2.03(2) 2.864(2) 165(3) 2_665
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
N1 C1 C2 C3 -179.76(19) . .
C6 C1 C2 C3 -0.5(3) . .
C1 C2 C3 C4 -0.3(3) . .
C2 C3 C4 C5 0.9(3) . .
C3 C4 C5 C6 -0.5(3) . .
C4 C5 C6 N2 179.35(18) . .
C4 C5 C6 C1 -0.3(3) . .
N1 C1 C6 N2 0.5(3) . .
C2 C1 C6 N2 -178.79(18) . .
N1 C1 C6 C5 -179.88(16) . .
C2 C1 C6 C5 0.9(3) . .
N2 C7 C8 C9 -178.57(18) . .
C12 C7 C8 C9 0.6(3) . .
C7 C8 C9 C10 0.3(3) . .
C8 C9 C10 C11 -1.0(3) . .
C9 C10 C11 C12 0.8(3) . .
C10 C11 C12 N1 178.94(18) . .
C10 C11 C12 C7 0.2(3) . .
N2 C7 C12 N1 -0.5(3) . .
C8 C7 C12 N1 -179.66(17) . .
N2 C7 C12 C11 178.30(17) . .
C8 C7 C12 C11 -0.8(3) . .
N3 C13 C14 C15 -179.49(19) . .
C16 C13 C14 C15 -0.1(3) 2_565 .
C13 C14 C15 C18 -0.1(3) . 2_565
N3 C16 C17 C18 -178.34(19) . .
C13 C16 C17 C18 1.7(3) 2_565 .
C16 C17 C18 C15 -1.5(3) . 2_565
N4 C19 C20 C21 179.36(19) . .
C24 C19 C20 C21 -0.8(3) . .
C19 C20 C21 C22 -0.4(3) . .
C20 C21 C22 C23 0.9(3) . .
C21 C22 C23 C24 0.0(3) . .
C22 C23 C24 N4 178.94(19) . 2_665
C22 C23 C24 C19 -1.2(3) . .
N4 C19 C24 N4 1.3(3) . 2_665
C20 C19 C24 N4 -178.53(17) . 2_665
N4 C19 C24 C23 -178.57(18) . .
C20 C19 C24 C23 1.6(3) . .
C2 C1 N1 C12 179.59(18) . .
C6 C1 N1 C12 0.3(3) . .
C11 C12 N1 C1 -179.12(17) . .
C7 C12 N1 C1 -0.3(3) . .
C5 C6 N2 C7 179.09(17) . .
C1 C6 N2 C7 -1.3(3) . .
C8 C7 N2 C6 -179.59(17) . .
C12 C7 N2 C6 1.3(3) . .
C14 C13 N3 C16 179.02(17) . .
C16 C13 N3 C16 -0.3(3) 2_565 .
C17 C16 N3 C13 -179.65(18) . .
C13 C16 N3 C13 0.3(3) 2_565 .
C20 C19 N4 C24 178.56(17) . 2_665
C24 C19 N4 C24 -1.3(3) . 2_665
