#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/38/2223811.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_2223811
loop_
_publ_author_name
'Arman, Hadi D.'
'Poplaukhin, Pavel'
'Tiekink, Edward R. T.'
_publ_section_title
(μ-trans-1,2-Di-4-pyridylethylene-κ²N:N')bis[bis(N,N-diisopropyldithiocarbamato-κ²S,S')zinc(II)]
_journal_coeditor_code           HB5178
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1475
_journal_paper_doi               10.1107/S1600536809044250
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Zn2 (C7 H14 N S2)4 (C12 H10 N2)]'
_chemical_formula_moiety         'C40 H66 N6 S8 Zn2'
_chemical_formula_sum            'C40 H66 N6 S8 Zn2'
_chemical_formula_weight         1018.21
_chemical_name_systematic
;
(μ-trans-1,2-Di-4-pyridylethylene-
κ²N:N')bis[bis(N,N-diisopropyldithiocarbamato-
κ²S,S')zinc(II)]
;
_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           SHELXL-97
_cell_angle_alpha                80.806(10)
_cell_angle_beta                 84.878(9)
_cell_angle_gamma                72.566(5)
_cell_formula_units_Z            1
_cell_length_a                   8.2690(14)
_cell_length_b                   11.1640(18)
_cell_length_c                   14.156(2)
_cell_measurement_reflns_used    4206
_cell_measurement_temperature    98(2)
_cell_measurement_theta_max      40.2
_cell_measurement_theta_min      2.6
_cell_volume                     1229.6(3)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2005)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      98(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku AFC12Κ/SATURN724'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_av_sigmaI/netI    0.035
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9453
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.3
_diffrn_standards_decay_%        '< 1'
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.350
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.73
_refine_diff_density_min         -0.93
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         5613
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.08
_refine_ls_R_factor_all          0.040
_refine_ls_R_factor_gt           0.038
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0536P)²+0.8556P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.101
_refine_ls_wR_factor_ref         0.103
_reflns_number_gt                5323
_reflns_number_total             5613
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb5178.cif
_cod_data_source_block           I
_cod_database_code               2223811
_cod_database_fobs_code          2223811
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_disorder_assembly
_atom_site_disorder_group
Zn Zn 0.26250(3) 0.37511(2) 0.262741(17) 0.01954(9) Uani d . 1 . .
S S1 0.50382(7) 0.25806(5) 0.35054(4) 0.02363(13) Uani d . 1 . .
S S2 0.31926(7) 0.14535(5) 0.24038(4) 0.02353(13) Uani d . 1 . .
S S3 0.18968(7) 0.47710(5) 0.10606(4) 0.02045(12) Uani d . 1 . .
S S4 0.29663(7) 0.59904(5) 0.24745(4) 0.02168(12) Uani d . 1 . .
N N1 0.6241(2) 0.01811(18) 0.31035(14) 0.0237(4) Uani d . 1 . .
N N2 0.2671(2) 0.69764(16) 0.06127(12) 0.0191(3) Uani d . 1 . .
N N3 0.0406(2) 0.39861(17) 0.34610(13) 0.0203(3) Uani d . 1 . .
C C1 0.4978(3) 0.1269(2) 0.30131(15) 0.0193(4) Uani d . 1 . .
C C2 0.7810(3) -0.0048(2) 0.36315(18) 0.0302(5) Uani d . 1 . .
H H2 0.8458 -0.0952 0.3587 0.036 Uiso calc R 1 . .
C C3 0.7483(4) 0.0018(3) 0.46940(19) 0.0377(6) Uani d . 1 . .
H H3A 0.7019 0.0906 0.4798 0.057 Uiso calc R 1 . .
H H3B 0.8549 -0.0362 0.5023 0.057 Uiso calc R 1 . .
H H3C 0.6668 -0.0448 0.4949 0.057 Uiso calc R 1 . .
C C4 0.8972(3) 0.0716(3) 0.3145(2) 0.0356(6) Uani d . 1 . .
H H4A 0.9121 0.0632 0.2462 0.053 Uiso calc R 1 . .
H H4B 1.0078 0.0397 0.3438 0.053 Uiso calc R 1 . .
H H4C 0.8467 0.1610 0.3222 0.053 Uiso calc R 1 . .
C C5 0.6116(3) -0.0926(2) 0.26693(19) 0.0300(5) Uani d . 1 . .
H H5 0.5131 -0.0596 0.2243 0.036 Uiso calc R 1 . .
C C6 0.7657(4) -0.1476(3) 0.2036(2) 0.0455(7) Uani d . 1 . .
H H6A 0.7888 -0.0796 0.1564 0.068 Uiso calc R 1 . .
H H6B 0.7436 -0.2112 0.1703 0.068 Uiso calc R 1 . .
H H6C 0.8642 -0.1874 0.2432 0.068 Uiso calc R 1 . .
C C7 0.5682(6) -0.1896(3) 0.3430(2) 0.0585(10) Uani d . 1 . .
H H7A 0.6630 -0.2270 0.3856 0.088 Uiso calc R 1 . .
H H7B 0.5470 -0.2563 0.3129 0.088 Uiso calc R 1 . .
H H7C 0.4664 -0.1490 0.3802 0.088 Uiso calc R 1 . .
C C8 0.2528(2) 0.60365(19) 0.12971(14) 0.0173(4) Uani d . 1 . .
C C9 0.3395(3) 0.7973(2) 0.08196(16) 0.0230(4) Uani d . 1 . .
H H9 0.3809 0.7714 0.1485 0.028 Uiso calc R 1 . .
C C10 0.4919(3) 0.8049(3) 0.0156(2) 0.0356(6) Uani d . 1 . .
H H10A 0.5762 0.7213 0.0199 0.053 Uiso calc R 1 . .
H H10B 0.5422 0.8662 0.0346 0.053 Uiso calc R 1 . .
H H10C 0.4558 0.8323 -0.0504 0.053 Uiso calc R 1 . .
C C11 0.2042(3) 0.9242(2) 0.0808(2) 0.0342(6) Uani d . 1 . .
H H11A 0.1617 0.9535 0.0162 0.051 Uiso calc R 1 . .
H H11B 0.2532 0.9863 0.0996 0.051 Uiso calc R 1 . .
H H11C 0.1105 0.9147 0.1260 0.051 Uiso calc R 1 . .
C C12 0.2101(3) 0.7146(2) -0.03856(15) 0.0230(4) Uani d . 1 . .
H H12 0.2300 0.7958 -0.0707 0.028 Uiso calc R 1 . .
C C13 0.3156(3) 0.6133(2) -0.09784(17) 0.0302(5) Uani d . 1 . .
H H13A 0.4362 0.5970 -0.0873 0.045 Uiso calc R 1 . .
H H13B 0.2948 0.6428 -0.1659 0.045 Uiso calc R 1 . .
H H13C 0.2835 0.5349 -0.0785 0.045 Uiso calc R 1 . .
C C14 0.0198(3) 0.7356(2) -0.04095(18) 0.0271(5) Uani d . 1 . .
H H14A -0.0069 0.6565 -0.0153 0.041 Uiso calc R 1 . .
H H14B -0.0155 0.7621 -0.1072 0.041 Uiso calc R 1 . .
H H14C -0.0405 0.8017 -0.0019 0.041 Uiso calc R 1 . .
C C15 0.0365(3) 0.3549(2) 0.44008(17) 0.0294(5) Uani d . 1 . .
H H15 0.1404 0.3103 0.4696 0.035 Uiso calc R 1 . .
C C16 -0.1129(3) 0.3724(2) 0.49564(16) 0.0297(5) Uani d . 1 . .
H H16 -0.1101 0.3407 0.5621 0.036 Uiso calc R 1 . .
C C17 -0.2677(3) 0.4365(2) 0.45415(15) 0.0200(4) Uani d . 1 . .
C C18 -0.2633(3) 0.4766(2) 0.35583(15) 0.0224(4) Uani d . 1 . .
H H18 -0.3658 0.5165 0.3236 0.027 Uiso calc R 1 . .
C C19 -0.1086(3) 0.4576(2) 0.30552(16) 0.0228(4) Uani d . 1 . .
H H19 -0.1078 0.4879 0.2389 0.027 Uiso calc R 1 . .
C C20 -0.4262(3) 0.4592(2) 0.51333(15) 0.0207(4) Uani d . 1 . .
H H20 -0.4230 0.4119 0.5755 0.025 Uiso calc R 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'
S S 0.1246 0.1234 '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'
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
N3 Zn S1 . . 112.29(5) ?
N3 Zn S3 . . 107.48(5) ?
S1 Zn S3 . . 140.23(2) ?
N3 Zn S2 . . 99.44(5) ?
S1 Zn S2 . . 73.21(2) ?
S3 Zn S2 . . 100.61(2) ?
N3 Zn S4 . . 100.23(5) ?
S1 Zn S4 . . 99.98(2) ?
S3 Zn S4 . . 72.47(2) ?
S2 Zn S4 . . 160.31(2) ?
C1 S1 Zn . . 87.45(7) ?
C1 S2 Zn . . 82.55(7) ?
C8 S3 Zn . . 88.80(7) ?
C8 S4 Zn . . 82.47(7) ?
C1 N1 C2 . . 124.9(2) ?
C1 N1 C5 . . 119.88(19) ?
C2 N1 C5 . . 115.18(19) ?
C8 N2 C9 . . 120.53(17) ?
C8 N2 C12 . . 124.50(18) ?
C9 N2 C12 . . 114.95(16) ?
C15 N3 C19 . . 117.40(19) ?
C15 N3 Zn . . 123.08(15) ?
C19 N3 Zn . . 119.50(14) ?
N1 C1 S2 . . 122.16(16) ?
N1 C1 S1 . . 122.17(16) ?
S2 C1 S1 . . 115.67(12) ?
N1 C2 C3 . . 113.7(2) ?
N1 C2 C4 . . 113.0(2) ?
C3 C2 C4 . . 114.1(2) ?
N1 C2 H2 . . 104.9 ?
C3 C2 H2 . . 104.9 ?
C4 C2 H2 . . 104.9 ?
C2 C3 H3A . . 109.5 ?
C2 C3 H3B . . 109.5 ?
H3A C3 H3B . . 109.5 ?
C2 C3 H3C . . 109.5 ?
H3A C3 H3C . . 109.5 ?
H3B C3 H3C . . 109.5 ?
C2 C4 H4A . . 109.5 ?
C2 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
C2 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
N1 C5 C7 . . 110.4(2) ?
N1 C5 C6 . . 113.3(2) ?
C7 C5 C6 . . 113.4(3) ?
N1 C5 H5 . . 106.4 ?
C7 C5 H5 . . 106.4 ?
C6 C5 H5 . . 106.4 ?
C5 C6 H6A . . 109.5 ?
C5 C6 H6B . . 109.5 ?
H6A C6 H6B . . 109.5 ?
C5 C6 H6C . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
C5 C7 H7A . . 109.5 ?
C5 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C5 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
N2 C8 S4 . . 122.56(15) ?
N2 C8 S3 . . 122.09(15) ?
S4 C8 S3 . . 115.36(12) ?
N2 C9 C10 . . 111.56(18) ?
N2 C9 C11 . . 111.17(18) ?
C10 C9 C11 . . 112.7(2) ?
N2 C9 H9 . . 107.0 ?
C10 C9 H9 . . 107.0 ?
C11 C9 H9 . . 107.0 ?
C9 C10 H10A . . 109.5 ?
C9 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
C9 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C9 C11 H11A . . 109.5 ?
C9 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
C9 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
N2 C12 C14 . . 112.12(18) ?
N2 C12 C13 . . 113.96(18) ?
C14 C12 C13 . . 113.47(19) ?
N2 C12 H12 . . 105.4 ?
C14 C12 H12 . . 105.4 ?
C13 C12 H12 . . 105.4 ?
C12 C13 H13A . . 109.5 ?
C12 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C12 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C12 C14 H14A . . 109.5 ?
C12 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C12 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
N3 C15 C16 . . 122.7(2) ?
N3 C15 H15 . . 118.7 ?
C16 C15 H15 . . 118.7 ?
C15 C16 C17 . . 120.0(2) ?
C15 C16 H16 . . 120.0 ?
C17 C16 H16 . . 120.0 ?
C18 C17 C16 . . 117.1(2) ?
C18 C17 C20 . . 122.64(19) ?
C16 C17 C20 . . 120.3(2) ?
C19 C18 C17 . . 119.4(2) ?
C19 C18 H18 . . 120.3 ?
C17 C18 H18 . . 120.3 ?
N3 C19 C18 . . 123.3(2) ?
N3 C19 H19 . . 118.3 ?
C18 C19 H19 . . 118.3 ?
C20 C20 C17 2_466 . 125.1(3) ?
C20 C20 H20 2_466 . 117.4 ?
C17 C20 H20 . . 117.4 ?
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
Zn N3 . 2.0621(18) y
Zn S1 . 2.3655(7) y
Zn S3 . 2.3662(7) y
Zn S2 . 2.5320(7) y
Zn S4 . 2.5720(7) y
S1 C1 . 1.734(2) ?
S2 C1 . 1.719(2) ?
S3 C8 . 1.733(2) ?
S4 C8 . 1.727(2) ?
N1 C1 . 1.340(3) ?
N1 C2 . 1.490(3) ?
N1 C5 . 1.499(3) ?
N2 C8 . 1.335(3) ?
N2 C9 . 1.489(3) ?
N2 C12 . 1.495(3) ?
N3 C15 . 1.343(3) ?
N3 C19 . 1.344(3) ?
C2 C3 . 1.514(4) ?
C2 C4 . 1.520(4) ?
C2 H2 . 1.0000 ?
C3 H3A . 0.9800 ?
C3 H3B . 0.9800 ?
C3 H3C . 0.9800 ?
C4 H4A . 0.9800 ?
C4 H4B . 0.9800 ?
C4 H4C . 0.9800 ?
C5 C7 . 1.501(4) ?
C5 C6 . 1.519(4) ?
C5 H5 . 1.0000 ?
C6 H6A . 0.9800 ?
C6 H6B . 0.9800 ?
C6 H6C . 0.9800 ?
C7 H7A . 0.9800 ?
C7 H7B . 0.9800 ?
C7 H7C . 0.9800 ?
C9 C10 . 1.518(3) ?
C9 C11 . 1.519(3) ?
C9 H9 . 1.0000 ?
C10 H10A . 0.9800 ?
C10 H10B . 0.9800 ?
C10 H10C . 0.9800 ?
C11 H11A . 0.9800 ?
C11 H11B . 0.9800 ?
C11 H11C . 0.9800 ?
C12 C14 . 1.522(3) ?
C12 C13 . 1.525(3) ?
C12 H12 . 1.0000 ?
C13 H13A . 0.9800 ?
C13 H13B . 0.9800 ?
C13 H13C . 0.9800 ?
C14 H14A . 0.9800 ?
C14 H14B . 0.9800 ?
C14 H14C . 0.9800 ?
C15 C16 . 1.384(3) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.395(3) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.393(3) ?
C17 C20 . 1.469(3) ?
C18 C19 . 1.383(3) ?
C18 H18 . 0.9500 ?
C19 H19 . 0.9500 ?
C20 C20 2_466 1.330(4) ?
C20 H20 . 0.9500 ?
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
_geom_hbond_publ_flag
C20 H20 S4 2_566 0.95 2.77 3.545(2) 139 y
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
N3 Zn S1 C1 . . . . 99.95(9) ?
S3 Zn S1 C1 . . . . -80.02(8) ?
S2 Zn S1 C1 . . . . 6.43(7) ?
S4 Zn S1 C1 . . . . -154.56(7) ?
N3 Zn S2 C1 . . . . -117.11(9) ?
S1 Zn S2 C1 . . . . -6.53(7) ?
S3 Zn S2 C1 . . . . 132.96(7) ?
S4 Zn S2 C1 . . . . 65.65(9) ?
N3 Zn S3 C8 . . . . 101.33(9) ?
S1 Zn S3 C8 . . . . -78.70(7) ?
S2 Zn S3 C8 . . . . -155.14(7) ?
S4 Zn S3 C8 . . . . 5.83(7) ?
N3 Zn S4 C8 . . . . -111.15(9) ?
S1 Zn S4 C8 . . . . 133.82(7) ?
S3 Zn S4 C8 . . . . -5.90(7) ?
S2 Zn S4 C8 . . . . 66.08(9) ?
S1 Zn N3 C15 . . . . 1.8(2) ?
S3 Zn N3 C15 . . . . -178.20(18) ?
S2 Zn N3 C15 . . . . 77.44(19) ?
S4 Zn N3 C15 . . . . -103.51(19) ?
S1 Zn N3 C19 . . . . -176.66(15) ?
S3 Zn N3 C19 . . . . 3.32(17) ?
S2 Zn N3 C19 . . . . -101.04(16) ?
S4 Zn N3 C19 . . . . 78.01(16) ?
C2 N1 C1 S2 . . . . -179.16(17) ?
C5 N1 C1 S2 . . . . -0.3(3) ?
C2 N1 C1 S1 . . . . 0.7(3) ?
C5 N1 C1 S1 . . . . 179.53(17) ?
Zn S2 C1 N1 . . . . -170.64(18) ?
Zn S2 C1 S1 . . . . 9.49(10) ?
Zn S1 C1 N1 . . . . 170.04(18) ?
Zn S1 C1 S2 . . . . -10.09(11) ?
C1 N1 C2 C3 . . . . 63.5(3) ?
C5 N1 C2 C3 . . . . -115.3(2) ?
C1 N1 C2 C4 . . . . -68.5(3) ?
C5 N1 C2 C4 . . . . 112.6(2) ?
C1 N1 C5 C7 . . . . -103.7(3) ?
C2 N1 C5 C7 . . . . 75.3(3) ?
C1 N1 C5 C6 . . . . 128.0(2) ?
C2 N1 C5 C6 . . . . -53.1(3) ?
C9 N2 C8 S4 . . . . 6.4(3) ?
C12 N2 C8 S4 . . . . -171.92(16) ?
C9 N2 C8 S3 . . . . -173.29(15) ?
C12 N2 C8 S3 . . . . 8.4(3) ?
Zn S4 C8 N2 . . . . -171.20(18) ?
Zn S4 C8 S3 . . . . 8.52(10) ?
Zn S3 C8 N2 . . . . 170.53(17) ?
Zn S3 C8 S4 . . . . -9.19(11) ?
C8 N2 C9 C10 . . . . 122.8(2) ?
C12 N2 C9 C10 . . . . -58.7(2) ?
C8 N2 C9 C11 . . . . -110.5(2) ?
C12 N2 C9 C11 . . . . 67.9(2) ?
C8 N2 C12 C14 . . . . 61.8(3) ?
C9 N2 C12 C14 . . . . -116.6(2) ?
C8 N2 C12 C13 . . . . -68.8(3) ?
C9 N2 C12 C13 . . . . 112.8(2) ?
C19 N3 C15 C16 . . . . -2.2(4) ?
Zn N3 C15 C16 . . . . 179.3(2) ?
N3 C15 C16 C17 . . . . 0.6(4) ?
C15 C16 C17 C18 . . . . 2.3(4) ?
C15 C16 C17 C20 . . . . -177.9(2) ?
C16 C17 C18 C19 . . . . -3.5(3) ?
C20 C17 C18 C19 . . . . 176.7(2) ?
C15 N3 C19 C18 . . . . 0.9(3) ?
Zn N3 C19 C18 . . . . 179.48(17) ?
C17 C18 C19 N3 . . . . 2.0(4) ?
C18 C17 C20 C20 . . . 2_466 -15.2(4) ?
C16 C17 C20 C20 . . . 2_466 164.9(3) ?
