#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:38:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180271 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/57/7115786.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_7115786
loop_
_publ_author_name
'Thomas B. Faust'
'Pavel M. Usov'
'Deanna M. D'Alessandro'
'Cameron J. Kepert'
_publ_section_title
;
 Highly unusual interpenetration isomers of electroactive nickel
 bis(dithiolene) coordination frameworks
;
_journal_name_full               Chem.Commun.
_journal_page_first              12772
_journal_paper_doi               10.1039/C4cc05438E
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C28 H20 N4 Ni2 O2 S8 Zn'
_chemical_formula_sum            'C28 H20 N4 Ni2 O2 S8 Zn'
_chemical_formula_weight         883.75
_chemical_melting_point          ?
_chemical_name_common            '[Zn(Ni(pedt)2)2(O)2]'
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      trigonal
_space_group_IT_number           159
_space_group_name_Hall           'P 3 -2c'
_space_group_name_H-M_alt        'P 3 1 c'
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   27.525(4)
_cell_length_b                   27.525(4)
_cell_length_c                   24.215(5)
_cell_measurement_temperature    100(2)
_cell_volume                     15888(5)
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_collection       'BluIce (McPhillips, 2002)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'ADSC Quantum 315r'
_diffrn_measurement_method       'Phi Scan'
_diffrn_radiation_monochromator  'Silicon Double Crystal'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.71085
_diffrn_reflns_av_R_equivalents  0.1082
_diffrn_reflns_av_unetI/netI     0.0475
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            230737
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.246
_diffrn_reflns_theta_max         26.376
_diffrn_reflns_theta_min         3.473
_diffrn_source                   'MX2 Beamline Australian Synchrotron'
_exptl_absorpt_coefficient_mu    0.745
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.5590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker, 2012)
;
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    0.554
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2676
_exptl_crystal_recrystallization_method 'Direct from synthesis'
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.379
_refine_diff_density_min         -0.434
_refine_diff_density_rms         0.102
_refine_ls_abs_structure_details
;
 Flack x determined using 4698 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.117(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.695
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         21594
_refine_ls_number_restraints     585
_refine_ls_restrained_S_all      2.774
_refine_ls_R_factor_all          0.1734
_refine_ls_R_factor_gt           0.1182
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0496P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2825
_refine_ls_wR_factor_ref         0.2922
_reflns_Friedel_coverage         0.997
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                11612
_reflns_number_total             21594
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4cc05438e2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        15889(5)
_cod_database_code               7115786
#BEGIN Tags that were not found in dictionaries:
_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.
;
_shelx_estimated_absorpt_t_min   0.929
_shelx_estimated_absorpt_t_max   0.982
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, z+1/2'
'x-y, -y, z+1/2'
'-x, -x+y, z+1/2'
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
Zn1 Zn 0.55943(10) 0.07315(7) 0.21311(7) 0.1329(7) Uani 1 1 d . .
Ni1 Ni 0.49676(8) 0.29730(8) 0.45614(7) 0.1108(6) Uani 1 1 d . .
Ni2 Ni 0.53483(12) -0.17943(10) 0.48189(9) 0.1500(9) Uani 1 1 d . .
O1 O 0.6519(5) 0.1291(4) 0.2100(5) 0.156(4) Uani 1 1 d . U
O2 O 0.4708(6) 0.0187(4) 0.2181(4) 0.149(4) Uani 1 1 d . U
N1 N 0.5523(5) 0.1204(4) 0.2780(4) 0.115(3) Uani 1 1 d D U
C1 C 0.5878(6) 0.1431(5) 0.3182(5) 0.103(4) Uani 1 1 d D U
H1 H 0.6175 0.1361 0.3200 0.124 Uiso 1 1 calc R U
C2 C 0.5849(6) 0.1755(5) 0.3568(5) 0.103(3) Uani 1 1 d D U
H2 H 0.6124 0.1906 0.3839 0.123 Uiso 1 1 calc R U
C3 C 0.5407(6) 0.1877(5) 0.3575(5) 0.109(4) Uani 1 1 d D U
C4 C 0.5013(6) 0.1631(5) 0.3155(5) 0.106(4) Uani 1 1 d D U
H4 H 0.4711 0.1692 0.3133 0.128 Uiso 1 1 calc R U
C5 C 0.5076(6) 0.1292(6) 0.2770(5) 0.121(4) Uani 1 1 d D U
H5 H 0.4806 0.1120 0.2496 0.146 Uiso 1 1 calc R U
C6 C 0.5359(5) 0.2233(5) 0.3976(6) 0.104(3) Uani 1 1 d . U
C7 C 0.5669(6) 0.2421(6) 0.4471(5) 0.108(4) Uani 1 1 d . U
H7 H 0.5930 0.2309 0.4547 0.130 Uiso 1 1 calc R U
S1 S 0.48885(17) 0.24775(17) 0.38580(14) 0.1169(11) Uani 1 1 d . U
S2 S 0.55962(17) 0.28287(16) 0.49264(14) 0.1165(11) Uani 1 1 d . U
N2 N 0.4408(6) 0.4625(5) 0.6499(4) 0.135(4) Uani 1 1 d D U
C8 C 0.4168(8) 0.4588(7) 0.5994(5) 0.139(5) Uani 1 1 d D U
H8 H 0.3960 0.4767 0.5943 0.166 Uiso 1 1 calc R U
C9 C 0.4219(7) 0.4313(7) 0.5584(5) 0.133(5) Uani 1 1 d D U
H9 H 0.4063 0.4321 0.5246 0.160 Uiso 1 1 calc R U
C10 C 0.4504(7) 0.3996(7) 0.5627(5) 0.132(5) Uani 1 1 d D U
C11 C 0.4701(8) 0.3997(6) 0.6165(5) 0.138(5) Uani 1 1 d D U
H11 H 0.4870 0.3785 0.6245 0.166 Uiso 1 1 calc R U
C12 C 0.4640(8) 0.4312(7) 0.6568(5) 0.145(5) Uani 1 1 d D U
H12 H 0.4774 0.4305 0.6919 0.174 Uiso 1 1 calc R U
C13 C 0.4563(8) 0.3696(7) 0.5186(6) 0.132(5) Uani 1 1 d . U
C14 C 0.4311(7) 0.3587(7) 0.4684(5) 0.133(5) Uani 1 1 d . U
H14 H 0.4087 0.3742 0.4603 0.159 Uiso 1 1 calc R U
S3 S 0.5028(2) 0.34294(18) 0.52952(15) 0.1307(14) Uani 1 1 d . U
S4 S 0.43798(19) 0.31823(18) 0.41941(14) 0.1260(12) Uani 1 1 d . U
N3 N 0.5704(6) 0.0235(4) 0.2737(4) 0.127(4) Uani 1 1 d D U
C15 C 0.6084(8) 0.0082(7) 0.2696(6) 0.160(6) Uani 1 1 d D U
H15 H 0.6319 0.0198 0.2389 0.192 Uiso 1 1 calc R U
C16 C 0.6150(8) -0.0240(7) 0.3086(6) 0.157(6) Uani 1 1 d D U
H16 H 0.6460 -0.0290 0.3075 0.188 Uiso 1 1 calc R U
C17 C 0.5749(8) -0.0491(6) 0.3497(6) 0.151(5) Uani 1 1 d D U
C18 C 0.5379(7) -0.0290(6) 0.3566(5) 0.129(5) Uani 1 1 d D U
H18 H 0.5134 -0.0406 0.3864 0.155 Uiso 1 1 calc R U
C19 C 0.5379(7) 0.0086(6) 0.3184(6) 0.133(5) Uani 1 1 d D U
H19 H 0.5147 0.0237 0.3241 0.160 Uiso 1 1 calc R U
C20 C 0.5765(9) -0.0908(7) 0.3901(6) 0.149(6) Uani 1 1 d . U
C21 C 0.5997(13) -0.1238(10) 0.3826(10) 0.227(10) Uani 1 1 d . U
H21 H 0.6176 -0.1198 0.3489 0.273 Uiso 1 1 calc R U
S5 S 0.5277(3) -0.11453(18) 0.44179(16) 0.1492(16) Uani 1 1 d . U
S6 S 0.6003(4) -0.1683(4) 0.4238(4) 0.256(4) Uani 1 1 d . U
N4 N 0.4510(6) -0.4241(5) 0.6565(4) 0.131(4) Uani 1 1 d D U
C22 C 0.4176(7) -0.3997(6) 0.6627(5) 0.128(5) Uani 1 1 d D U
H22 H 0.3886 -0.4150 0.6884 0.154 Uiso 1 1 calc R U
C23 C 0.4254(7) -0.3546(6) 0.6330(5) 0.122(4) Uani 1 1 d D U
H23 H 0.4010 -0.3407 0.6378 0.147 Uiso 1 1 calc R U
C24 C 0.4711(8) -0.3278(6) 0.5943(6) 0.138(5) Uani 1 1 d D U
C25 C 0.5040(7) -0.3542(6) 0.5868(5) 0.132(5) Uani 1 1 d D U
H25 H 0.5333 -0.3406 0.5615 0.159 Uiso 1 1 calc R U
C26 C 0.4903(7) -0.4015(6) 0.6193(6) 0.136(5) Uani 1 1 d D U
H26 H 0.5116 -0.4187 0.6137 0.164 Uiso 1 1 calc R U
C27 C 0.4830(8) -0.2778(7) 0.5636(6) 0.137(5) Uani 1 1 d . U
C28 C 0.4545(10) -0.2503(7) 0.5694(8) 0.165(7) Uani 1 1 d . U
H28 H 0.4237 -0.2654 0.5930 0.197 Uiso 1 1 calc R U
S7 S 0.5372(3) -0.2510(2) 0.5159(2) 0.177(2) Uani 1 1 d . U
S8 S 0.4708(3) -0.1901(2) 0.5366(2) 0.172(2) Uani 1 1 d . U
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N2 Zn1 N4 91.5(4) 6_654 6_664
N2 Zn1 N1 175.2(5) 6_654 .
N4 Zn1 N1 88.9(4) 6_664 .
N2 Zn1 N3 91.4(4) 6_654 .
N4 Zn1 N3 177.1(4) 6_664 .
N1 Zn1 N3 88.3(4) . .
N2 Zn1 O2 87.2(5) 6_654 .
N4 Zn1 O2 91.0(5) 6_664 .
N1 Zn1 O2 88.0(4) . .
N3 Zn1 O2 89.4(5) . .
N2 Zn1 O1 93.4(5) 6_654 .
N4 Zn1 O1 90.3(5) 6_664 .
N1 Zn1 O1 91.4(5) . .
N3 Zn1 O1 89.3(5) . .
O2 Zn1 O1 178.6(4) . .
S1 Ni1 S3 176.8(2) . .
S1 Ni1 S2 92.55(15) . .
S3 Ni1 S2 86.21(15) . .
S1 Ni1 S4 89.50(15) . .
S3 Ni1 S4 91.92(15) . .
S2 Ni1 S4 175.8(2) . .
S8 Ni2 S5 88.9(2) . .
S8 Ni2 S7 92.2(2) . .
S5 Ni2 S7 174.2(3) . .
S8 Ni2 S6 178.8(3) . .
S5 Ni2 S6 90.3(2) . .
S7 Ni2 S6 88.5(2) . .
C1 N1 C5 117.2(10) . .
C1 N1 Zn1 125.1(9) . .
C5 N1 Zn1 117.6(8) . .
N1 C1 C2 124.8(12) . .
C1 C2 C3 121.3(11) . .
C4 C3 C2 115.4(10) . .
C4 C3 C6 120.9(12) . .
C2 C3 C6 123.8(11) . .
C3 C4 C5 119.3(11) . .
N1 C5 C4 122.0(12) . .
C7 C6 C3 125.6(12) . .
C7 C6 S1 115.0(10) . .
C3 C6 S1 119.4(10) . .
C6 C7 S2 124.0(11) . .
C6 S1 Ni1 104.9(5) . .
C7 S2 Ni1 103.5(5) . .
C12 N2 C8 116.1(11) . .
C12 N2 Zn1 121.0(9) . 6_665
C8 N2 Zn1 122.9(8) . 6_665
C9 C8 N2 122.6(12) . .
C8 C9 C10 123.3(11) . .
C13 C10 C11 122.8(11) . .
C13 C10 C9 124.1(11) . .
C11 C10 C9 113.1(10) . .
C12 C11 C10 119.3(11) . .
N2 C12 C11 125.1(12) . .
C14 C13 C10 127.8(13) . .
C14 C13 S3 115.7(11) . .
C10 C13 S3 116.6(10) . .
C13 C14 S4 123.9(12) . .
C13 S3 Ni1 105.0(5) . .
C14 S4 Ni1 103.4(5) . .
C15 N3 C19 118.9(12) . .
C15 N3 Zn1 123.1(10) . .
C19 N3 Zn1 118.0(10) . .
N3 C15 C16 122.9(14) . .
C15 C16 C17 119.1(15) . .
C16 C17 C18 116.5(13) . .
C16 C17 C20 121.3(15) . .
C18 C17 C20 121.6(14) . .
C19 C18 C17 119.3(14) . .
N3 C19 C18 121.4(13) . .
C21 C20 C17 128.1(16) . .
C21 C20 S5 112.6(14) . .
C17 C20 S5 116.4(14) . .
C20 C21 S6 128.4(18) . .
C20 S5 Ni2 105.7(6) . .
C21 S6 Ni2 100.8(10) . .
C26 N4 C22 115.8(12) . .
C26 N4 Zn1 125.6(10) . 6_655
C22 N4 Zn1 118.1(9) . 6_655
C23 C22 N4 123.0(14) . .
C22 C23 C24 120.8(13) . .
C25 C24 C23 115.8(12) . .
C25 C24 C27 121.2(15) . .
C23 C24 C27 123.0(14) . .
C26 C25 C24 117.2(13) . .
N4 C26 C25 127.2(13) . .
C28 C27 C24 124.4(17) . .
C28 C27 S7 116.8(15) . .
C24 C27 S7 118.8(13) . .
C27 C28 S8 124.3(18) . .
C27 S7 Ni2 103.2(6) . .
C28 S8 Ni2 103.1(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N2 2.083(11) 6_654
Zn1 N4 2.097(12) 6_664
Zn1 N1 2.111(9) .
Zn1 N3 2.126(11) .
Zn1 O2 2.135(13) .
Zn1 O1 2.221(13) .
Ni1 S1 2.124(3) .
Ni1 S3 2.134(3) .
Ni1 S2 2.149(4) .
Ni1 S4 2.162(4) .
Ni2 S8 2.106(6) .
Ni2 S5 2.127(4) .
Ni2 S7 2.167(4) .
Ni2 S6 2.184(9) .
N1 C1 1.296(13) .
N1 C5 1.367(14) .
C1 C2 1.321(13) .
C2 C3 1.414(15) .
C3 C4 1.390(14) .
C3 C6 1.430(16) .
C4 C5 1.391(14) .
C6 C7 1.413(17) .
C6 S1 1.756(14) .
C7 S2 1.655(13) .
N2 C12 1.316(14) .
N2 C8 1.367(14) .
N2 Zn1 2.083(11) 6_665
C8 C9 1.298(14) .
C9 C10 1.438(15) .
C10 C13 1.407(17) .
C10 C11 1.412(14) .
C11 C12 1.373(15) .
C13 C14 1.357(19) .
C13 S3 1.785(14) .
C14 S4 1.702(15) .
N3 C15 1.312(16) .
N3 C19 1.332(14) .
C15 C16 1.367(16) .
C16 C17 1.387(17) .
C17 C18 1.392(17) .
C17 C20 1.52(2) .
C18 C19 1.387(15) .
C20 C21 1.36(3) .
C20 S5 1.710(18) .
C21 S6 1.59(2) .
N4 C26 1.303(15) .
N4 C22 1.392(14) .
N4 Zn1 2.097(12) 6_655
C22 C23 1.355(15) .
C23 C24 1.442(17) .
C24 C25 1.430(16) .
C24 C27 1.45(2) .
C25 C26 1.402(16) .
C27 C28 1.34(2) .
C27 S7 1.734(18) .
C28 S8 1.683(17) .
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
C5 N1 C1 C2 -3(2) .
Zn1 N1 C1 C2 175.6(10) .
N1 C1 C2 C3 1(2) .
C1 C2 C3 C4 0.4(18) .
C1 C2 C3 C6 -178.8(12) .
C2 C3 C4 C5 0.2(19) .
C6 C3 C4 C5 179.3(12) .
C1 N1 C5 C4 3(2) .
Zn1 N1 C5 C4 -175.3(10) .
C3 C4 C5 N1 -2(2) .
C4 C3 C6 C7 167.8(13) .
C2 C3 C6 C7 -13(2) .
C4 C3 C6 S1 -13.1(17) .
C2 C3 C6 S1 165.9(10) .
C3 C6 C7 S2 -179.5(10) .
S1 C6 C7 S2 1.5(15) .
C7 C6 S1 Ni1 -1.3(11) .
C3 C6 S1 Ni1 179.5(9) .
C6 C7 S2 Ni1 -0.8(12) .
C12 N2 C8 C9 -8(3) .
Zn1 N2 C8 C9 173.0(14) 6_665
N2 C8 C9 C10 4(3) .
C8 C9 C10 C13 -180.0(19) .
C8 C9 C10 C11 3(3) .
C13 C10 C11 C12 178.3(18) .
C9 C10 C11 C12 -4(3) .
C8 N2 C12 C11 6(3) .
Zn1 N2 C12 C11 -174.6(15) 6_665
C10 C11 C12 N2 0(3) .
C11 C10 C13 C14 167.8(18) .
C9 C10 C13 C14 -10(3) .
C11 C10 C13 S3 -13(2) .
C9 C10 C13 S3 170.0(15) .
C10 C13 C14 S4 -175.9(15) .
S3 C13 C14 S4 5(2) .
C14 C13 S3 Ni1 -3.3(15) .
C10 C13 S3 Ni1 177.2(13) .
C13 C14 S4 Ni1 -3.3(16) .
C19 N3 C15 C16 2(2) .
Zn1 N3 C15 C16 -179.6(13) .
N3 C15 C16 C17 10(3) .
C15 C16 C17 C18 -15(3) .
C15 C16 C17 C20 172.8(16) .
C16 C17 C18 C19 9(2) .
C20 C17 C18 C19 -179.6(15) .
C15 N3 C19 C18 -9(2) .
Zn1 N3 C19 C18 172.4(12) .
C17 C18 C19 N3 4(2) .
C16 C17 C20 C21 -26(3) .
C18 C17 C20 C21 163(2) .
C16 C17 C20 S5 175.3(14) .
C18 C17 C20 S5 4(2) .
C17 C20 C21 S6 -178(2) .
S5 C20 C21 S6 -18(4) .
C21 C20 S5 Ni2 10(2) .
C17 C20 S5 Ni2 172.0(12) .
C20 C21 S6 Ni2 16(3) .
C26 N4 C22 C23 -1(2) .
Zn1 N4 C22 C23 171.6(11) 6_655
N4 C22 C23 C24 -2(2) .
C22 C23 C24 C25 4(2) .
C22 C23 C24 C27 -176.7(14) .
C23 C24 C25 C26 -3(2) .
C27 C24 C25 C26 178.3(15) .
C22 N4 C26 C25 3(2) .
Zn1 N4 C26 C25 -169.1(12) 6_655
C24 C25 C26 N4 -1(2) .
C25 C24 C27 C28 -178.7(17) .
C23 C24 C27 C28 2(3) .
C25 C24 C27 S7 2(2) .
C23 C24 C27 S7 -177.3(12) .
C24 C27 C28 S8 176.2(14) .
S7 C27 C28 S8 -4(2) .
C28 C27 S7 Ni2 -1.1(15) .
C24 C27 S7 Ni2 178.6(11) .
C27 C28 S8 Ni2 7.0(18) .
