#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/80/2018045.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_2018045
loop_
_publ_author_name
'Xu, Hui-Hua'
'Tao, Xian'
'Li, Yue-Qin'
'Shen, Ying-Zhong'
'Wei, Yan-Hong'
_publ_section_title
;
 Bis[μ-N,N'-bis(quinolin-8-yl)pyridine-2,6-dicarboxamido]dizinc(II)
 dichloromethane disolvate
;
_journal_coeditor_code           SF3146
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m93
_journal_page_last               m95
_journal_paper_doi               10.1107/S0108270111006974
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Zn2 (C25 H15 N5 O2)2] , 2C H2 Cl2'
_chemical_formula_moiety         'C50 H30 N10 O4 Zn2, 2(C H2 Cl2)'
_chemical_formula_sum            'C52 H34 Cl4 N10 O4 Zn2'
_chemical_formula_weight         1135.43
_chemical_name_systematic
;
Bis[μ-N,N'-bis(quinolin-8-yl)pyridine-2,6-
dicarboxamido]dizinc(II) dichloromethane disolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.07(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.458(5)
_cell_length_b                   13.672(3)
_cell_length_c                   16.588(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      9
_cell_volume                     4894(2)
_computing_cell_refinement       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       ω/2θ
_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  0.0227
_diffrn_reflns_av_sigmaI/netI    0.0645
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4554
_diffrn_reflns_theta_full        25.30
_diffrn_reflns_theta_max         25.30
_diffrn_reflns_theta_min         1.76
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.257
_exptl_absorpt_correction_T_max  0.778
_exptl_absorpt_correction_T_min  0.642
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(CAD-4 EXPRESS; Enraf--Nonius, 1994)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.260
_refine_diff_density_min         -0.722
_refine_ls_extinction_coef       0.0038(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         4445
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0531
_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)+(0.0627P)²+2.7530P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1154
_refine_ls_wR_factor_ref         0.1334
_reflns_number_gt                2882
_reflns_number_total             4445
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sf3146.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2018045
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_disorder_assembly
_atom_site_disorder_group
Zn Zn1 0.56600(2) 0.31851(3) 0.35422(3) 0.0404(2) Uani d . 1 . .
O O1 0.48505(16) 0.5766(2) 0.3733(2) 0.0651(10) Uani d . 1 . .
O O2 0.40496(16) 0.0851(2) 0.2802(2) 0.0589(9) Uani d . 1 . .
N N1 0.65441(17) 0.3768(3) 0.3838(2) 0.0447(9) Uani d . 1 . .
N N2 0.55081(16) 0.4600(2) 0.3626(2) 0.0406(9) Uani d . 1 . .
N N3 0.45588(15) 0.3287(3) 0.3124(2) 0.0388(8) Uani d . 1 . .
N N4 0.42696(15) 0.1824(2) 0.1846(2) 0.0370(8) Uani d . 1 . .
N N5 0.42606(16) 0.2418(2) 0.0313(2) 0.0391(8) Uani d . 1 . .
C C1 0.7051(2) 0.3303(4) 0.3951(3) 0.0608(14) Uani d . 1 . .
H H1 0.7055 0.2623 0.3962 0.073 Uiso calc R 1 . .
C C2 0.7574(3) 0.3794(5) 0.4052(4) 0.0843(19) Uani d . 1 . .
H H2 0.7921 0.3447 0.4122 0.101 Uiso calc R 1 . .
C C3 0.7575(3) 0.4785(5) 0.4048(5) 0.089(2) Uani d . 1 . .
H H3 0.7928 0.5119 0.4128 0.107 Uiso calc R 1 . .
C C4 0.7050(3) 0.5314(4) 0.3924(4) 0.0668(15) Uani d . 1 . .
C C5 0.7009(3) 0.6345(5) 0.3898(5) 0.091(2) Uani d . 1 . .
H H5 0.7344 0.6720 0.3963 0.109 Uiso calc R 1 . .
C C6 0.6486(3) 0.6781(4) 0.3781(4) 0.0870(19) Uani d . 1 . .
H H6 0.6463 0.7460 0.3756 0.104 Uiso calc R 1 . .
C C7 0.5972(3) 0.6246(4) 0.3696(4) 0.0654(15) Uani d . 1 . .
H H7 0.5620 0.6577 0.3625 0.078 Uiso calc R 1 . .
C C8 0.5981(2) 0.5233(3) 0.3715(3) 0.0452(11) Uani d . 1 . .
C C9 0.6535(2) 0.4763(3) 0.3834(3) 0.0479(11) Uani d . 1 . .
C C10 0.4991(2) 0.4925(3) 0.3632(3) 0.0471(11) Uani d . 1 . .
C C11 0.4556(2) 0.4104(3) 0.3568(3) 0.0421(11) Uani d . 1 . .
C C12 0.4184(2) 0.4206(4) 0.3984(3) 0.0604(14) Uani d . 1 . .
H H12 0.4179 0.4789 0.4269 0.072 Uiso calc R 1 . .
C C13 0.3825(3) 0.3433(4) 0.3971(4) 0.0675(15) Uani d . 1 . .
H H13 0.3578 0.3484 0.4258 0.081 Uiso calc R 1 . .
C C14 0.3830(2) 0.2579(4) 0.3532(3) 0.0563(13) Uani d . 1 . .
H H14 0.3594 0.2042 0.3526 0.068 Uiso calc R 1 . .
C C15 0.41951(19) 0.2542(3) 0.3100(3) 0.0378(10) Uani d . 1 . .
C C16 0.41766(19) 0.1636(3) 0.2563(3) 0.0404(10) Uani d . 1 . .
C C17 0.42596(18) 0.1085(3) 0.1253(3) 0.0372(10) Uani d . 1 . .
C C18 0.4263(2) 0.0090(3) 0.1375(3) 0.0503(12) Uani d . 1 . .
H H18 0.4262 -0.0157 0.1896 0.060 Uiso calc R 1 . .
C C19 0.4268(2) -0.0558(3) 0.0722(3) 0.0555(13) Uani d . 1 . .
H H19 0.4278 -0.1227 0.0829 0.067 Uiso calc R 1 . .
C C20 0.4259(2) -0.0242(3) -0.0057(3) 0.0543(13) Uani d . 1 . .
H H20 0.4259 -0.0691 -0.0478 0.065 Uiso calc R 1 . .
C C21 0.4250(2) 0.0771(3) -0.0229(3) 0.0431(11) Uani d . 1 . .
C C22 0.4247(2) 0.1169(4) -0.1011(3) 0.0550(13) Uani d . 1 . .
H H22 0.4239 0.0756 -0.1463 0.066 Uiso calc R 1 . .
C C23 0.4257(3) 0.2157(4) -0.1111(3) 0.0601(14) Uani d . 1 . .
H H23 0.4260 0.2424 -0.1625 0.072 Uiso calc R 1 . .
C C24 0.4263(2) 0.2758(3) -0.0431(3) 0.0496(12) Uani d . 1 . .
H H24 0.4269 0.3432 -0.0503 0.060 Uiso calc R 1 . .
C C25 0.42546(18) 0.1430(3) 0.0431(3) 0.0354(10) Uani d . 1 . .
C C26 0.7690(9) 0.5005(14) 0.2014(18) 0.101(8) Uani d P 0.416(19) A 1
H H26A 0.8096 0.5300 0.2368 0.122 Uiso calc PR 0.416(19) A 1
H H26B 0.7545 0.4757 0.2428 0.122 Uiso calc PR 0.416(19) A 1
C C26' 0.7687(7) 0.5169(12) 0.1361(13) 0.105(5) Uani d P 0.584(19) A 2
H H26C 0.8087 0.5462 0.1527 0.126 Uiso calc PR 0.584(19) A 2
H H26D 0.7465 0.5111 0.0700 0.126 Uiso calc PR 0.584(19) A 2
Cl Cl1 0.7713(6) 0.4105(11) 0.1325(13) 0.145(5) Uani d PU 0.416(19) A 1
Cl Cl2 0.7167(6) 0.5842(10) 0.1245(9) 0.119(3) Uani d PU 0.416(19) A 1
Cl Cl1' 0.7798(4) 0.3965(7) 0.1868(8) 0.149(3) Uani d PU 0.584(19) A 2
Cl Cl2' 0.7266(5) 0.5934(8) 0.1732(11) 0.158(3) Uani d PU 0.584(19) A 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'
Zn Zn 0.2839 1.4301 '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'
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
N2 Zn1 N4 . 2_655 166.94(13) y
N2 Zn1 N5 . 2_655 111.37(14) y
N4 Zn1 N5 2_655 2_655 80.88(13) y
N2 Zn1 N1 . . 79.79(14) y
N4 Zn1 N1 2_655 . 100.94(13) y
N5 Zn1 N1 2_655 . 109.06(14) y
N2 Zn1 N3 . . 75.39(13) y
N4 Zn1 N3 2_655 . 102.19(13) y
N5 Zn1 N3 2_655 . 84.59(12) y
N1 Zn1 N3 . . 154.75(13) y
N2 Zn1 N3 . 2_655 94.10(13) y
N4 Zn1 N3 2_655 2_655 73.09(12) y
N5 Zn1 N3 2_655 2_655 152.66(12) y
N1 Zn1 N3 . 2_655 84.39(12) y
N3 Zn1 N3 . 2_655 92.74(11) y
C1 N1 C9 . . 119.5(4) ?
C1 N1 Zn1 . . 129.2(3) ?
C9 N1 Zn1 . . 111.1(3) ?
C10 N2 C8 . . 122.0(4) ?
C10 N2 Zn1 . . 122.0(3) ?
C8 N2 Zn1 . . 116.0(3) ?
C11 N3 C15 . . 118.4(4) ?
C11 N3 Zn1 . . 100.4(3) ?
C15 N3 Zn1 . . 126.3(3) ?
C16 N4 C17 . . 122.1(3) ?
C16 N4 Zn1 . 2_655 122.8(3) ?
C17 N4 Zn1 . 2_655 114.8(2) ?
C24 N5 C25 . . 119.2(4) ?
C24 N5 Zn1 . 2_655 129.1(3) ?
C25 N5 Zn1 . 2_655 111.5(3) ?
N1 C1 C2 . . 122.4(5) ?
N1 C1 H1 . . 118.8 ?
C2 C1 H1 . . 118.8 ?
C3 C2 C1 . . 119.1(6) ?
C3 C2 H2 . . 120.4 ?
C1 C2 H2 . . 120.4 ?
C2 C3 C4 . . 120.9(6) ?
C2 C3 H3 . . 119.6 ?
C4 C3 H3 . . 119.6 ?
C3 C4 C5 . . 124.5(5) ?
C3 C4 C9 . . 116.8(5) ?
C5 C4 C9 . . 118.7(6) ?
C6 C5 C4 . . 119.9(6) ?
C6 C5 H5 . . 120.1 ?
C4 C5 H5 . . 120.1 ?
C5 C6 C7 . . 122.2(6) ?
C5 C6 H6 . . 118.9 ?
C7 C6 H6 . . 118.9 ?
C8 C7 C6 . . 120.9(6) ?
C8 C7 H7 . . 119.5 ?
C6 C7 H7 . . 119.5 ?
C7 C8 N2 . . 127.9(5) ?
C7 C8 C9 . . 117.3(5) ?
N2 C8 C9 . . 114.9(4) ?
N1 C9 C4 . . 121.3(5) ?
N1 C9 C8 . . 117.7(4) ?
C4 C9 C8 . . 121.0(5) ?
O1 C10 N2 . . 129.2(4) ?
O1 C10 C11 . . 117.9(4) ?
N2 C10 C11 . . 112.8(4) ?
N3 C11 C12 . . 122.1(4) ?
N3 C11 C10 . . 118.1(4) ?
C12 C11 C10 . . 119.7(4) ?
C13 C12 C11 . . 118.9(5) ?
C13 C12 H12 . . 120.5 ?
C11 C12 H12 . . 120.5 ?
C12 C13 C14 . . 119.8(5) ?
C12 C13 H13 . . 120.1 ?
C14 C13 H13 . . 120.1 ?
C13 C14 C15 . . 118.2(5) ?
C13 C14 H14 . . 120.9 ?
C15 C14 H14 . . 120.9 ?
N3 C15 C14 . . 122.5(4) ?
N3 C15 C16 . . 118.4(4) ?
C14 C15 C16 . . 119.1(4) ?
O2 C16 N4 . . 128.9(4) ?
O2 C16 C15 . . 117.8(4) ?
N4 C16 C15 . . 113.2(3) ?
C18 C17 N4 . . 127.8(4) ?
C18 C17 C25 . . 117.5(4) ?
N4 C17 C25 . . 114.7(3) ?
C17 C18 C19 . . 120.9(4) ?
C17 C18 H18 . . 119.6 ?
C19 C18 H18 . . 119.6 ?
C20 C19 C18 . . 122.2(4) ?
C20 C19 H19 . . 118.9 ?
C18 C19 H19 . . 118.9 ?
C19 C20 C21 . . 119.9(4) ?
C19 C20 H20 . . 120.1 ?
C21 C20 H20 . . 120.1 ?
C22 C21 C20 . . 124.0(4) ?
C22 C21 C25 . . 117.6(4) ?
C20 C21 C25 . . 118.3(4) ?
C23 C22 C21 . . 120.3(4) ?
C23 C22 H22 . . 119.9 ?
C21 C22 H22 . . 119.9 ?
C22 C23 C24 . . 118.8(5) ?
C22 C23 H23 . . 120.6 ?
C24 C23 H23 . . 120.6 ?
N5 C24 C23 . . 123.1(4) ?
N5 C24 H24 . . 118.5 ?
C23 C24 H24 . . 118.5 ?
N5 C25 C21 . . 121.0(4) ?
N5 C25 C17 . . 117.7(4) ?
C21 C25 C17 . . 121.2(4) ?
Cl1 C26 Cl2 . . 103(2) ?
Cl1 C26 H26A . . 111.1 ?
Cl2 C26 H26A . . 111.1 ?
Cl1 C26 H26B . . 111.1 ?
Cl2 C26 H26B . . 111.1 ?
H26A C26 H26B . . 109.1 ?
Cl2' C26' Cl1' . . 111.1(14) ?
Cl2' C26' H26C . . 109.4 ?
Cl1' C26' H26C . . 109.4 ?
Cl2' C26' H26D . . 109.4 ?
Cl1' C26' H26D . . 109.4 ?
H26C C26' H26D . . 108.0 ?
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
Zn1 N2 . 1.987(3) y
Zn1 N4 2_655 2.003(3) y
Zn1 N5 2_655 2.097(3) y
Zn1 N1 . 2.134(4) y
Zn1 N3 . 2.449(3) y
Zn1 N3 2_655 2.560(3) y
O1 C10 . 1.235(5) ?
O2 C16 . 1.233(5) ?
N1 C1 . 1.325(6) ?
N1 C9 . 1.361(6) ?
N2 C10 . 1.344(5) ?
N2 C8 . 1.396(5) ?
N3 C11 . 1.340(5) ?
N3 C15 . 1.340(5) ?
N4 C16 . 1.338(5) ?
N4 C17 . 1.403(5) ?
N4 Zn1 2_655 2.003(3) ?
N5 C24 . 1.321(5) ?
N5 C25 . 1.366(5) ?
N5 Zn1 2_655 2.097(3) ?
C1 C2 . 1.384(7) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.355(8) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.402(8) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.413(8) ?
C4 C9 . 1.414(6) ?
C5 C6 . 1.339(8) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.402(7) ?
C6 H6 . 0.9300 ?
C7 C8 . 1.386(6) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.426(6) ?
C10 C11 . 1.515(6) ?
C11 C12 . 1.384(6) ?
C12 C13 . 1.368(7) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.380(7) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.385(6) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.513(6) ?
C17 C18 . 1.375(6) ?
C17 C25 . 1.437(5) ?
C18 C19 . 1.403(6) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.353(6) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.412(6) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.403(6) ?
C21 C25 . 1.415(6) ?
C22 C23 . 1.362(7) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.391(6) ?
C23 H23 . 0.9300 ?
C24 H24 . 0.9300 ?
C26 Cl1 . 1.70(3) ?
C26 Cl2 . 1.74(3) ?
C26 H26A . 0.9700 ?
C26 H26B . 0.9700 ?
C26' Cl2' . 1.77(2) ?
C26' Cl1' . 1.81(2) ?
C26' H26C . 0.9700 ?
C26' H26D . 0.9700 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N2 Zn1 N1 C1 . . . . 178.8(4) ?
N4 Zn1 N1 C1 2_655 . . . -14.5(4) ?
N5 Zn1 N1 C1 2_655 . . . 69.5(4) ?
N3 Zn1 N1 C1 . . . . -170.6(3) ?
N3 Zn1 N1 C1 2_655 . . . -86.0(4) ?
N2 Zn1 N1 C9 . . . . -6.4(3) ?
N4 Zn1 N1 C9 2_655 . . . 160.4(3) ?
N5 Zn1 N1 C9 2_655 . . . -115.6(3) ?
N3 Zn1 N1 C9 . . . . 4.3(5) ?
N3 Zn1 N1 C9 2_655 . . . 88.8(3) ?
N4 Zn1 N2 C10 2_655 . . . 95.1(7) ?
N5 Zn1 N2 C10 2_655 . . . -63.8(3) ?
N1 Zn1 N2 C10 . . . . -170.4(3) ?
N3 Zn1 N2 C10 . . . . 14.2(3) ?
N3 Zn1 N2 C10 2_655 . . . 106.0(3) ?
N4 Zn1 N2 C8 2_655 . . . -87.4(7) ?
N5 Zn1 N2 C8 2_655 . . . 113.6(3) ?
N1 Zn1 N2 C8 . . . . 7.0(3) ?
N3 Zn1 N2 C8 . . . . -168.3(3) ?
N3 Zn1 N2 C8 2_655 . . . -76.5(3) ?
N2 Zn1 N3 C11 . . . . -26.2(3) ?
N4 Zn1 N3 C11 2_655 . . . 167.0(3) ?
N5 Zn1 N3 C11 2_655 . . . 87.6(3) ?
N1 Zn1 N3 C11 . . . . -37.0(4) ?
N3 Zn1 N3 C11 2_655 . . . -119.7(2) ?
N2 Zn1 N3 C15 . . . . -163.4(3) ?
N4 Zn1 N3 C15 2_655 . . . 29.8(3) ?
N5 Zn1 N3 C15 2_655 . . . -49.7(3) ?
N1 Zn1 N3 C15 . . . . -174.3(3) ?
N3 Zn1 N3 C15 2_655 . . . 103.0(3) ?
C9 N1 C1 C2 . . . . -1.0(7) ?
Zn1 N1 C1 C2 . . . . 173.5(4) ?
N1 C1 C2 C3 . . . . 0.9(9) ?
C1 C2 C3 C4 . . . . -1.3(10) ?
C2 C3 C4 C5 . . . . -179.1(6) ?
C2 C3 C4 C9 . . . . 1.8(9) ?
C3 C4 C5 C6 . . . . -179.7(6) ?
C9 C4 C5 C6 . . . . -0.6(9) ?
C4 C5 C6 C7 . . . . 1.0(11) ?
C5 C6 C7 C8 . . . . -1.0(10) ?
C6 C7 C8 N2 . . . . -179.0(5) ?
C6 C7 C8 C9 . . . . 0.6(7) ?
C10 N2 C8 C7 . . . . -9.5(7) ?
Zn1 N2 C8 C7 . . . . 173.0(4) ?
C10 N2 C8 C9 . . . . 170.9(4) ?
Zn1 N2 C8 C9 . . . . -6.6(5) ?
C1 N1 C9 C4 . . . . 1.6(7) ?
Zn1 N1 C9 C4 . . . . -173.8(4) ?
C1 N1 C9 C8 . . . . -179.7(4) ?
Zn1 N1 C9 C8 . . . . 4.8(5) ?
C3 C4 C9 N1 . . . . -2.0(7) ?
C5 C4 C9 N1 . . . . 178.8(5) ?
C3 C4 C9 C8 . . . . 179.4(5) ?
C5 C4 C9 C8 . . . . 0.2(8) ?
C7 C8 C9 N1 . . . . -178.9(4) ?
N2 C8 C9 N1 . . . . 0.7(6) ?
C7 C8 C9 C4 . . . . -0.3(7) ?
N2 C8 C9 C4 . . . . 179.4(4) ?
C8 N2 C10 O1 . . . . -1.9(7) ?
Zn1 N2 C10 O1 . . . . 175.4(4) ?
C8 N2 C10 C11 . . . . -177.5(4) ?
Zn1 N2 C10 C11 . . . . -0.2(5) ?
C15 N3 C11 C12 . . . . -1.1(6) ?
Zn1 N3 C11 C12 . . . . -142.6(4) ?
C15 N3 C11 C10 . . . . 177.1(4) ?
Zn1 N3 C11 C10 . . . . 35.5(4) ?
O1 C10 C11 N3 . . . . 154.7(4) ?
N2 C10 C11 N3 . . . . -29.2(5) ?
O1 C10 C11 C12 . . . . -27.1(7) ?
N2 C10 C11 C12 . . . . 149.0(4) ?
N3 C11 C12 C13 . . . . 2.5(7) ?
C10 C11 C12 C13 . . . . -175.7(4) ?
C11 C12 C13 C14 . . . . -1.2(8) ?
C12 C13 C14 C15 . . . . -1.2(8) ?
C11 N3 C15 C14 . . . . -1.5(6) ?
Zn1 N3 C15 C14 . . . . 129.1(4) ?
C11 N3 C15 C16 . . . . 177.4(3) ?
Zn1 N3 C15 C16 . . . . -52.0(5) ?
C13 C14 C15 N3 . . . . 2.6(7) ?
C13 C14 C15 C16 . . . . -176.2(4) ?
C17 N4 C16 O2 . . . . -3.1(7) ?
Zn1 N4 C16 O2 2_655 . . . 170.0(4) ?
C17 N4 C16 C15 . . . . -178.9(3) ?
Zn1 N4 C16 C15 2_655 . . . -5.8(5) ?
N3 C15 C16 O2 . . . . 153.1(4) ?
C14 C15 C16 O2 . . . . -28.1(6) ?
N3 C15 C16 N4 . . . . -30.6(5) ?
C14 C15 C16 N4 . . . . 148.3(4) ?
C16 N4 C17 C18 . . . . -11.8(7) ?
Zn1 N4 C17 C18 2_655 . . . 174.5(4) ?
C16 N4 C17 C25 . . . . 169.2(4) ?
Zn1 N4 C17 C25 2_655 . . . -4.5(4) ?
N4 C17 C18 C19 . . . . -178.3(4) ?
C25 C17 C18 C19 . . . . 0.7(7) ?
C17 C18 C19 C20 . . . . -1.2(8) ?
C18 C19 C20 C21 . . . . 0.6(8) ?
C19 C20 C21 C22 . . . . 179.3(5) ?
C19 C20 C21 C25 . . . . 0.3(7) ?
C20 C21 C22 C23 . . . . -178.1(5) ?
C25 C21 C22 C23 . . . . 0.9(7) ?
C21 C22 C23 C24 . . . . -0.7(8) ?
C25 N5 C24 C23 . . . . 0.3(7) ?
Zn1 N5 C24 C23 2_655 . . . 174.6(4) ?
C22 C23 C24 N5 . . . . 0.1(8) ?
C24 N5 C25 C21 . . . . 0.0(6) ?
Zn1 N5 C25 C21 2_655 . . . -175.3(3) ?
C24 N5 C25 C17 . . . . 179.3(4) ?
Zn1 N5 C25 C17 2_655 . . . 4.0(5) ?
C22 C21 C25 N5 . . . . -0.5(6) ?
C20 C21 C25 N5 . . . . 178.5(4) ?
C22 C21 C25 C17 . . . . -179.8(4) ?
C20 C21 C25 C17 . . . . -0.8(6) ?
C18 C17 C25 N5 . . . . -179.0(4) ?
N4 C17 C25 N5 . . . . 0.1(5) ?
C18 C17 C25 C21 . . . . 0.3(6) ?
N4 C17 C25 C21 . . . . 179.4(4) ?
