#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/03/7110306.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_7110306
loop_
_publ_author_name
'Konno, Takumi'
'Usami, Masafumi'
'Hirotsu, Masakazu'
'Yoshimura, Takashi'
'Kawamoto, Tatsuya'
_publ_section_title
;
 Novel aggregation of [Ni(thiolato)2(amine)2]-type square planes assisted
 by silver(i) ions
;
_journal_issue                   20
_journal_name_full               'Chemical Communications'
_journal_page_first              2296
_journal_page_last               2297
_journal_paper_doi               10.1039/b404512b
_journal_year                    2004
_chemical_formula_moiety         'C32 H56 B2 Ag2 F8 N8 Ni4 S8 '
_chemical_formula_sum            'C32 H56 Ag2 B2 F8 N8 Ni4 S8'
_chemical_formula_weight         1433.47
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.03(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.438(2)
_cell_length_b                   20.621(5)
_cell_length_c                   18.811(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      12.7
_cell_volume                     5205.3(17)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9901
_diffrn_measured_fraction_theta_max 0.9901
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            29276
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_standards_decay_%        -2.08
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.537
_exptl_absorpt_correction_T_max  0.281
_exptl_absorpt_correction_T_min  0.246
_exptl_absorpt_correction_type   psi-scans
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_density_meas      1.500
_exptl_crystal_description       octahedral
_exptl_crystal_F_000             2880.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.50
_refine_diff_density_max         1.25
_refine_diff_density_min         -1.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     802
_refine_ls_number_reflns         11923
_refine_ls_R_factor_gt           0.0450
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0526P)²+8.1838P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1430
_reflns_number_gt                8762
_reflns_number_total             11923
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            b404512bsup1.cif
_cod_data_source_block           '[2](BF4)2'
_cod_original_cell_volume        5205(1)
_cod_original_formula_sum        'C32 H56 B2 Ag2 F8 N8 Ni4 S8 '
_cod_database_code               7110306
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,y+1/2,-z+1/2
x,-y+1/2,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_symmetry_multiplicity
_atom_site_calc_flag
Ag(1) Ag -0.65505(4) -0.16834(3) -0.49672(3) 0.0788(2) Uani 1.00 1 d
Ag(2) Ag -0.86703(5) -0.21997(3) -0.55715(3) 0.0856(2) Uani 1.00 1 d
Ni(1) Ni -0.78847(5) -0.30216(3) -0.43692(3) 0.0497(2) Uani 1.00 1 d
Ni(2) Ni -0.72070(7) -0.21720(4) -0.66825(4) 0.0656(2) Uani 1.00 1 d
Ni(3) Ni -0.89333(6) -0.08285(4) -0.50242(4) 0.0589(2) Uani 1.00 1 d
Ni(4) Ni -0.37715(6) -0.18434(4) -0.39966(5) 0.0672(2) Uani 1.00 1 d
S(1) S -0.7118(1) -0.22262(8) -0.38392(8) 0.0711(4) Uani 1.00 1 d
S(2) S -0.9339(1) -0.2595(1) -0.43999(8) 0.0760(5) Uani 1.00 1 d
S(3) S -0.5932(1) -0.23898(9) -0.59817(9) 0.0773(5) Uani 1.00 1 d
S(4) S -0.8057(2) -0.30218(9) -0.6460(1) 0.0840(5) Uani 1.00 1 d
S(5) S -0.7492(1) -0.06388(9) -0.5424(1) 0.0801(5) Uani 1.00 1 d
S(6) S -0.9620(1) -0.1168(1) -0.60082(9) 0.0813(5) Uani 1.00 1 d
S(7) S -0.4725(1) -0.11394(9) -0.4553(1) 0.0792(5) Uani 1.00 1 d
S(8) S -0.3278(1) -0.2328(1) -0.4919(1) 0.0920(6) Uani 1.00 1 d
F(1) F -0.1930(4) -0.4071(4) -0.7033(3) 0.142(2) Uani 1.00 1 d
F(2) F -0.1808(9) -0.4327(8) -0.5935(5) 0.295(7) Uani 1.00 1 d
F(3) F -0.0512(5) -0.4367(5) -0.6503(5) 0.203(4) Uani 1.00 1 d
F(4) F -0.1200(8) -0.3479(5) -0.6198(6) 0.250(6) Uani 1.00 1 d
F(5) F -0.3836(7) -0.4737(6) -0.2401(7) 0.265(7) Uani 1.00 1 d
F(6) F -0.2764(6) -0.4411(4) -0.3103(6) 0.205(4) Uani 1.00 1 d
F(7) F -0.4074(5) -0.3810(4) -0.2960(4) 0.158(2) Uani 1.00 1 d
F(8) F -0.424(1) -0.4635(8) -0.3403(9) 0.37(1) Uani 1.00 1 d
N(1) N -0.6688(4) -0.3466(3) -0.4421(3) 0.064(1) Uani 1.00 1 d
N(2) N -0.8403(4) -0.3758(3) -0.4832(2) 0.062(1) Uani 1.00 1 d
N(3) N -0.6613(4) -0.1399(3) -0.6940(2) 0.064(1) Uani 1.00 1 d
N(4) N -0.8239(4) -0.1880(3) -0.7317(2) 0.069(1) Uani 1.00 1 d
N(5) N -0.8495(4) -0.0514(3) -0.4133(3) 0.066(1) Uani 1.00 1 d
N(6) N -1.0120(4) -0.0939(2) -0.4577(3) 0.063(1) Uani 1.00 1 d
N(7) N -0.4110(4) -0.1502(3) -0.3123(3) 0.072(1) Uani 1.00 1 d
N(8) N -0.2993(4) -0.2389(3) -0.3409(3) 0.078(2) Uani 1.00 1 d
C(1) C -0.6003(6) -0.2694(5) -0.3564(4) 0.086(2) Uani 1.00 1 d
C(2) C -0.5761(5) -0.3171(5) -0.4131(5) 0.087(2) Uani 1.00 1 d
C(3) C -0.6742(6) -0.4006(4) -0.4780(4) 0.086(2) Uani 1.00 1 d
C(4) C -0.7767(6) -0.4163(3) -0.5019(4) 0.077(2) Uani 1.00 1 d
C(5) C -0.586(2) -0.441(1) -0.493(1) 0.167(7) Uani 1.00 1 d
C(6) C -0.802(2) -0.4760(6) -0.5469(7) 0.134(5) Uani 1.00 1 d
C(7) C -0.9470(6) -0.3786(5) -0.5061(4) 0.090(2) Uani 1.00 1 d
C(8) C -1.0041(6) -0.3314(6) -0.4648(4) 0.103(3) Uani 1.00 1 d
C(9) C -0.5089(6) -0.1827(4) -0.6410(5) 0.086(2) Uani 1.00 1 d
C(10) C -0.5632(6) -0.1220(4) -0.6628(4) 0.078(2) Uani 1.00 1 d
C(11) C -0.7129(5) -0.1032(3) -0.7365(3) 0.070(2) Uani 1.00 1 d
C(12) C -0.8125(5) -0.1304(3) -0.7568(3) 0.070(2) Uani 1.00 1 d
C(13) C -0.682(1) -0.0383(5) -0.7622(6) 0.108(3) Uani 1.00 1 d
C(14) C -0.8912(9) -0.0931(5) -0.7978(5) 0.096(3) Uani 1.00 1 d
C(15) C -0.9154(6) -0.2270(4) -0.7423(4) 0.085(2) Uani 1.00 1 d
C(16) C -0.8911(8) -0.2967(4) -0.7246(4) 0.096(3) Uani 1.00 1 d
C(17) C -0.7083(7) -0.0087(4) -0.4710(5) 0.095(2) Uani 1.00 1 d
C(18) C -0.7449(6) -0.0305(4) -0.4019(5) 0.084(2) Uani 1.00 1 d
C(19) C -0.9140(6) -0.0508(3) -0.3655(3) 0.071(2) Uani 1.00 1 d
C(20) C -1.0107(5) -0.0757(3) -0.3916(3) 0.068(2) Uani 1.00 1 d
C(21) C -0.895(1) -0.0282(6) -0.2903(5) 0.107(3) Uani 1.00 1 d
C(22) C -1.0982(9) -0.0801(7) -0.3464(6) 0.108(3) Uani 1.00 1 d
C(23) C -1.0966(7) -0.1231(7) -0.4951(5) 0.101(3) Uani 1.00 1 d
C(24) C -1.0868(7) -0.1305(7) -0.5709(6) 0.105(3) Uani 1.00 1 d
C(25) C -0.4728(8) -0.0587(4) -0.3790(5) 0.094(2) Uani 1.00 1 d
C(26) C -0.4836(6) -0.0965(4) -0.3115(5) 0.086(2) Uani 1.00 1 d
C(27) C -0.3729(5) -0.1767(4) -0.2558(4) 0.080(2) Uani 1.00 1 d
C(28) C -0.3038(5) -0.2295(4) -0.2730(5) 0.083(2) Uani 1.00 1 d
C(29) C -0.395(1) -0.1586(7) -0.1809(6) 0.113(3) Uani 1.00 1 d
C(30) C -0.244(1) -0.2662(7) -0.2168(7) 0.119(4) Uani 1.00 1 d
C(31) C -0.2364(6) -0.2874(5) -0.3729(6) 0.098(3) Uani 1.00 1 d
C(32) C -0.2835(6) -0.3057(5) -0.4442(6) 0.101(3) Uani 1.00 1 d
B(1) B -0.1362(9) -0.4082(7) -0.6433(6) 0.116(4) Uani 1.00 1 d
B(2) B -0.351(1) -0.4330(7) -0.268(1) 0.19(1) Uani 1.00 1 d
H(1) H -0.612(6) -0.293(4) -0.314(4) 0.10(3) Uiso 1.00 1 c
H(2) H -0.546(6) -0.240(4) -0.348(4) 0.10(2) Uiso 1.00 1 c
H(3) H -0.542(6) -0.295(4) -0.450(4) 0.10(3) Uiso 1.00 1 c
H(4) H -0.534(6) -0.351(4) -0.393(4) 0.10(3) Uiso 1.00 1 c
H(5) H -0.61(1) -0.478(7) -0.520(8) 0.20(7) Uiso 1.00 1 c
H(6) H -0.55(1) -0.454(7) -0.449(7) 0.20(7) Uiso 1.00 1 c
H(7) H -0.54(1) -0.416(7) -0.520(8) 0.20(8) Uiso 1.00 1 c
H(8) H -0.831(9) -0.462(6) -0.592(7) 0.16(5) Uiso 1.00 1 c
H(9) H -0.848(9) -0.503(6) -0.524(6) 0.16(5) Uiso 1.00 1 c
H(10) H -0.742(9) -0.500(6) -0.554(6) 0.16(5) Uiso 1.00 1 c
H(11) H -0.970(6) -0.422(4) -0.499(4) 0.11(3) Uiso 1.00 1 c
H(12) H -0.956(6) -0.368(4) -0.556(4) 0.11(3) Uiso 1.00 1 c
H(13) H -1.063(7) -0.319(4) -0.492(5) 0.12(3) Uiso 1.00 1 c
H(14) H -1.022(6) -0.352(4) -0.422(5) 0.12(3) Uiso 1.00 1 c
H(15) H -0.485(6) -0.203(4) -0.683(5) 0.10(3) Uiso 1.00 1 c
H(16) H -0.454(6) -0.173(4) -0.608(5) 0.10(3) Uiso 1.00 1 c
H(17) H -0.571(5) -0.096(4) -0.621(4) 0.09(2) Uiso 1.00 1 c
H(18) H -0.527(5) -0.098(4) -0.696(4) 0.09(2) Uiso 1.00 1 c
H(19) H -0.624(7) -0.044(5) -0.789(5) 0.13(4) Uiso 1.00 1 c
H(20) H -0.667(7) -0.009(5) -0.723(5) 0.13(4) Uiso 1.00 1 c
H(21) H -0.736(7) -0.020(5) -0.792(5) 0.13(4) Uiso 1.00 1 c
H(22) H -0.864(7) -0.052(5) -0.810(5) 0.12(3) Uiso 1.00 1 c
H(23) H -0.948(7) -0.087(4) -0.769(5) 0.12(3) Uiso 1.00 1 c
H(24) H -0.912(6) -0.116(4) -0.840(5) 0.12(3) Uiso 1.00 1 c
H(25) H -0.942(6) -0.223(4) -0.791(5) 0.10(3) Uiso 1.00 1 c
H(26) H -0.964(6) -0.212(4) -0.711(5) 0.10(3) Uiso 1.00 1 c
H(27) H -0.951(7) -0.320(4) -0.715(5) 0.12(3) Uiso 1.00 1 c
H(28) H -0.861(6) -0.316(4) -0.765(5) 0.12(3) Uiso 1.00 1 c
H(29) H -0.735(6) 0.034(4) -0.481(5) 0.11(3) Uiso 1.00 1 c
H(30) H -0.637(7) -0.007(4) -0.469(4) 0.11(3) Uiso 1.00 1 c
H(31) H -0.705(6) -0.066(4) -0.384(4) 0.10(3) Uiso 1.00 1 c
H(32) H -0.741(6) 0.004(4) -0.368(4) 0.10(3) Uiso 1.00 1 c
H(33) H -0.843(7) -0.054(5) -0.267(5) 0.13(4) Uiso 1.00 1 c
H(34) H -0.955(7) -0.033(5) -0.265(5) 0.13(4) Uiso 1.00 1 c
H(35) H -0.876(7) 0.017(5) -0.290(5) 0.13(4) Uiso 1.00 1 c
H(36) H -1.153(8) -0.056(5) -0.368(5) 0.13(4) Uiso 1.00 1 c
H(37) H -1.081(7) -0.063(5) -0.300(6) 0.13(4) Uiso 1.00 1 c
H(38) H -1.117(7) -0.125(5) -0.343(5) 0.13(4) Uiso 1.00 1 c
H(39) H -1.155(7) -0.098(4) -0.487(5) 0.12(3) Uiso 1.00 1 c
H(40) H -1.104(7) -0.166(5) -0.476(5) 0.12(4) Uiso 1.00 1 c
H(41) H -1.106(7) -0.173(5) -0.585(5) 0.13(3) Uiso 1.00 1 c
H(42) H -1.130(7) -0.099(5) -0.594(5) 0.13(4) Uiso 1.00 1 c
H(43) H -0.527(6) -0.029(4) -0.386(5) 0.11(3) Uiso 1.00 1 c
H(44) H -0.411(7) -0.035(4) -0.375(5) 0.11(3) Uiso 1.00 1 c
H(45) H -0.471(6) -0.070(4) -0.270(5) 0.10(3) Uiso 1.00 1 c
H(46) H -0.550(6) -0.114(4) -0.311(4) 0.10(3) Uiso 1.00 1 c
H(47) H -0.377(8) -0.114(5) -0.172(5) 0.14(4) Uiso 1.00 1 c
H(48) H -0.358(8) -0.186(5) -0.149(6) 0.14(4) Uiso 1.00 1 c
H(49) H -0.465(8) -0.164(5) -0.174(5) 0.14(4) Uiso 1.00 1 c
H(50) H -0.259(8) -0.312(6) -0.221(6) 0.14(4) Uiso 1.00 1 c
H(51) H -0.259(8) -0.252(5) -0.170(6) 0.14(4) Uiso 1.00 1 c
H(52) H -0.175(8) -0.259(5) -0.224(6) 0.14(4) Uiso 1.00 1 c
H(53) H -0.229(6) -0.325(4) -0.343(5) 0.12(3) Uiso 1.00 1 c
H(54) H -0.172(7) -0.269(4) -0.379(5) 0.12(3) Uiso 1.00 1 c
H(55) H -0.236(7) -0.327(4) -0.472(5) 0.12(3) Uiso 1.00 1 c
H(56) H -0.338(7) -0.335(4) -0.437(5) 0.12(3) Uiso 1.00 1 c
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.125 0.123
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ni Ni 0.339 1.112
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ag Ag -0.897 1.101
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.001 0.001
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, 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_publ_flag
Ag(2) Ag(1) S(1) 81.34(4) yes
Ag(2) Ag(1) S(3) 82.21(5) yes
Ag(2) Ag(1) S(5) 75.58(4) yes
Ag(2) Ag(1) S(7) 174.07(5) yes
S(1) Ag(1) S(3) 119.41(6) yes
S(1) Ag(1) S(5) 118.23(6) yes
S(1) Ag(1) S(7) 104.06(6) yes
S(3) Ag(1) S(5) 113.05(6) yes
S(3) Ag(1) S(7) 96.99(6) yes
S(5) Ag(1) S(7) 99.46(6) yes
Ni(1) Ag(2) Ni(2) 109.10(3) yes
Ni(1) Ag(2) S(2) 44.76(4) yes
Ni(1) Ag(2) S(4) 90.31(5) yes
Ni(1) Ag(2) S(6) 149.04(5) yes
Ni(1) Ag(2) Ag(1) 69.23(2) yes
Ni(2) Ag(2) S(2) 153.65(5) yes
Ni(2) Ag(2) S(4) 45.26(5) yes
Ni(2) Ag(2) S(6) 95.47(5) yes
Ni(2) Ag(2) Ag(1) 68.26(2) yes
S(2) Ag(2) S(4) 119.58(7) yes
S(2) Ag(2) S(6) 110.20(6) yes
S(2) Ag(2) Ag(1) 98.47(4) yes
S(4) Ag(2) S(6) 120.62(6) yes
S(4) Ag(2) Ag(1) 98.15(5) yes
S(6) Ag(2) Ag(1) 104.72(5) yes
S(1) Ni(1) S(2) 96.51(7) yes
S(1) Ni(1) N(1) 90.3(2) yes
S(1) Ni(1) N(2) 173.3(2) yes
S(2) Ni(1) N(1) 173.0(2) yes
S(2) Ni(1) N(2) 90.2(2) yes
N(1) Ni(1) N(2) 82.9(2) yes
N(1) Ni(1) Ag(2) 120.9(2) yes
N(2) Ni(1) Ag(2) 90.0(1) yes
Ag(2) Ni(1) S(1) 93.43(5) yes
Ag(2) Ni(1) S(2) 57.24(5) yes
S(3) Ni(2) S(4) 97.16(8) yes
S(3) Ni(2) N(3) 90.0(2) yes
S(3) Ni(2) N(4) 172.7(2) yes
S(4) Ni(2) N(3) 172.8(2) yes
S(4) Ni(2) N(4) 90.2(2) yes
N(3) Ni(2) N(4) 82.7(2) yes
N(3) Ni(2) Ag(2) 120.9(2) yes
N(4) Ni(2) Ag(2) 87.6(2) yes
Ag(2) Ni(2) S(3) 95.81(6) yes
Ag(2) Ni(2) S(4) 57.53(6) yes
S(5) Ni(3) S(6) 96.42(8) yes
S(5) Ni(3) N(5) 90.2(2) yes
S(5) Ni(3) N(6) 172.9(2) yes
S(6) Ni(3) N(5) 172.9(2) yes
S(6) Ni(3) N(6) 90.6(2) yes
N(5) Ni(3) N(6) 82.7(2) yes
S(7) Ni(4) S(8) 97.02(8) yes
S(7) Ni(4) N(7) 90.4(2) yes
S(7) Ni(4) N(8) 172.3(2) yes
S(8) Ni(4) N(7) 172.6(2) yes
S(8) Ni(4) N(8) 90.6(2) yes
N(7) Ni(4) N(8) 82.0(3) yes
C(1) S(1) Ag(1) 100.9(3) yes
C(1) S(1) Ni(1) 95.4(3) yes
Ni(1) S(1) Ag(1) 96.08(6) yes
C(8) S(2) Ag(2) 104.0(3) yes
C(8) S(2) Ni(1) 97.7(3) yes
Ag(2) S(2) Ni(1) 78.00(5) yes
C(9) S(3) Ag(1) 101.5(3) yes
C(9) S(3) Ni(2) 95.1(3) yes
Ni(2) S(3) Ag(1) 93.32(7) yes
C(16) S(4) Ag(2) 106.2(3) yes
C(16) S(4) Ni(2) 96.3(3) yes
Ag(2) S(4) Ni(2) 77.21(6) yes
C(17) S(5) Ag(1) 98.6(3) yes
C(17) S(5) Ni(3) 95.6(3) yes
Ag(1) S(5) Ni(3) 99.44(7) yes
C(24) S(6) Ag(2) 102.8(4) yes
C(24) S(6) Ni(3) 98.4(3) yes
Ag(2) S(6) Ni(3) 79.16(6) yes
C(25) S(7) Ag(1) 115.7(3) yes
C(25) S(7) Ni(4) 93.6(3) yes
Ag(1) S(7) Ni(4) 110.88(8) yes
C(32) S(8) Ni(4) 95.4(3) yes
C(2) N(1) C(3) 124.9(6) yes
C(2) N(1) Ni(1) 119.8(5) yes
C(3) N(1) Ni(1) 115.1(5) yes
C(4) N(2) C(7) 123.8(6) yes
C(4) N(2) Ni(1) 115.3(5) yes
C(7) N(2) Ni(1) 120.0(5) yes
C(10) N(3) C(11) 123.4(6) yes
C(10) N(3) Ni(2) 120.1(4) yes
C(11) N(3) Ni(2) 116.4(5) yes
C(12) N(4) C(15) 124.5(6) yes
C(12) N(4) Ni(2) 115.4(5) yes
C(15) N(4) Ni(2) 119.6(5) yes
C(18) N(5) C(19) 124.8(6) yes
C(18) N(5) Ni(3) 119.1(5) yes
C(19) N(5) Ni(3) 116.1(4) yes
C(20) N(6) C(23) 124.1(6) yes
C(20) N(6) Ni(3) 115.5(4) yes
C(23) N(6) Ni(3) 120.3(5) yes
C(26) N(7) C(27) 123.2(7) yes
C(26) N(7) Ni(4) 119.0(5) yes
C(27) N(7) Ni(4) 117.8(5) yes
C(28) N(8) C(31) 124.5(7) yes
C(28) N(8) Ni(4) 116.2(5) yes
C(31) N(8) Ni(4) 119.3(6) yes
C(2) C(1) S(1) 110.4(5) yes
N(1) C(2) C(1) 109.0(6) yes
C(4) C(3) C(5) 124(1) yes
C(4) C(3) N(1) 112.1(6) yes
C(5) C(3) N(1) 123(1) yes
C(6) C(4) N(2) 124(1) yes
C(6) C(4) C(3) 121(1) yes
N(2) C(4) C(3) 114.1(6) yes
C(8) C(7) N(2) 110.1(7) yes
S(2) C(8) C(7) 113.3(6) yes
C(10) C(9) H(15) 108(5) no
C(10) C(9) H(16) 111(4) no
C(10) C(9) S(3) 110.2(6) yes
N(3) C(10) C(9) 108.5(6) yes
C(12) C(11) C(13) 121.2(7) yes
C(12) C(11) N(3) 112.9(6) yes
C(13) C(11) N(3) 125.9(8) yes
C(14) C(12) N(4) 124.7(7) yes
C(14) C(12) C(11) 123.0(7) yes
N(4) C(12) C(11) 112.2(6) yes
C(16) C(15) N(4) 108.7(7) yes
S(4) C(16) C(15) 110.9(6) yes
C(18) C(17) S(5) 110.8(6) yes
N(5) C(18) C(17) 108.6(7) yes
C(20) C(19) C(21) 122.0(8) yes
C(20) C(19) N(5) 112.6(6) yes
C(21) C(19) N(5) 125.4(8) yes
C(22) C(20) N(6) 124.0(7) yes
C(22) C(20) C(19) 123.0(7) yes
N(6) C(20) C(19) 113.0(6) yes
C(24) C(23) N(6) 114.6(8) yes
S(6) C(24) C(23) 115.0(7) yes
C(26) C(25) S(7) 110.1(6) yes
N(7) C(26) C(25) 106.6(7) yes
C(28) C(27) C(29) 123.2(8) yes
C(28) C(27) N(7) 111.1(7) yes
C(29) C(27) N(7) 125.6(8) yes
C(30) C(28) N(8) 124.7(8) yes
C(30) C(28) C(27) 122.4(8) yes
N(8) C(28) C(27) 112.9(7) yes
C(32) C(31) N(8) 108.3(7) yes
S(8) C(32) C(31) 109.9(7) yes
F(1) B(1) F(2) 111(1) yes
F(1) B(1) F(3) 112(1) yes
F(1) B(1) F(4) 109(1) yes
F(2) B(1) F(3) 110(1) yes
F(2) B(1) F(4) 101(1) yes
F(3) B(1) F(4) 109(1) yes
F(5) B(2) F(6) 121(1) yes
F(5) B(2) F(7) 122(1) yes
F(5) B(2) F(8) 82(1) yes
F(6) B(2) F(7) 106(1) yes
F(6) B(2) F(8) 83(1) yes
F(7) B(2) F(8) 73(1) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ag(1) Ag(2) 3.1933(8) yes
Ag(1) S(1) 2.551(2) yes
Ag(1) S(3) 2.574(2) yes
Ag(1) S(5) 2.620(2) yes
Ag(1) S(7) 2.771(2) yes
Ag(2) Ni(1) 2.9747(8) yes
Ag(2) Ni(2) 2.945(1) yes
Ag(2) S(2) 2.557(2) yes
Ag(2) S(4) 2.548(2) yes
Ag(2) S(6) 2.592(2) yes
Ni(1) S(1) 2.153(2) yes
Ni(1) S(2) 2.141(2) yes
Ni(1) N(1) 1.858(5) yes
Ni(1) N(2) 1.867(5) yes
Ni(2) S(3) 2.154(2) yes
Ni(2) S(4) 2.145(2) yes
Ni(2) N(3) 1.859(5) yes
Ni(2) N(4) 1.880(5) yes
Ni(3) S(5) 2.150(2) yes
Ni(3) S(6) 2.142(2) yes
Ni(3) N(5) 1.864(5) yes
Ni(3) N(6) 1.856(5) yes
Ni(4) S(7) 2.169(2) yes
Ni(4) S(8) 2.137(2) yes
Ni(4) N(7) 1.866(6) yes
Ni(4) N(8) 1.859(6) yes
S(1) C(1) 1.833(8) yes
S(2) C(8) 1.80(1) yes
S(3) C(9) 1.837(9) yes
S(4) C(16) 1.827(9) yes
S(5) C(17) 1.82(1) yes
S(6) C(24) 1.82(1) yes
S(7) C(25) 1.83(1) yes
S(8) C(32) 1.83(1) yes
F(1) B(1) 1.33(1) yes
F(2) B(1) 1.25(2) yes
F(3) B(1) 1.30(1) yes
F(4) B(1) 1.33(2) yes
F(5) B(2) 1.09(2) yes
F(6) B(2) 1.32(2) yes
F(7) B(2) 1.40(2) yes
F(8) B(2) 1.75(3) yes
N(1) C(2) 1.466(9) yes
N(1) C(3) 1.302(9) yes
N(2) C(4) 1.260(9) yes
N(2) C(7) 1.476(9) yes
N(3) C(10) 1.462(9) yes
N(3) C(11) 1.278(8) yes
N(4) C(12) 1.291(8) yes
N(4) C(15) 1.47(1) yes
N(5) C(18) 1.475(9) yes
N(5) C(19) 1.282(9) yes
N(6) C(20) 1.297(8) yes
N(6) C(23) 1.44(1) yes
N(7) C(26) 1.48(1) yes
N(7) C(27) 1.279(9) yes
N(8) C(28) 1.30(1) yes
N(8) C(31) 1.46(1) yes
C(1) C(2) 1.50(1) yes
C(3) C(4) 1.46(1) yes
C(3) C(5) 1.49(2) yes
C(4) C(6) 1.52(1) yes
C(7) C(8) 1.48(1) yes
C(9) C(10) 1.49(1) yes
C(11) C(12) 1.48(1) yes
C(11) C(13) 1.49(1) yes
C(12) C(14) 1.49(1) yes
C(15) C(16) 1.51(1) yes
C(17) C(18) 1.48(1) yes
C(19) C(20) 1.46(1) yes
C(19) C(21) 1.50(1) yes
C(20) C(22) 1.49(1) yes
C(23) C(24) 1.45(1) yes
C(25) C(26) 1.50(1) yes
C(27) C(28) 1.48(1) yes
C(27) C(29) 1.50(1) yes
C(28) C(30) 1.50(2) yes
C(31) C(32) 1.50(1) yes
