#------------------------------------------------------------------------------
#$Date: 2018-10-05 14:19:55 +0200 (Fri 05 de Oct de 2018) $
#$Revision: 211332 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/13/7111308.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_7111308
loop_
_publ_author_name
'Wang, Qiang'
'Marr, Andrew C.'
'Blake, Alexander J.'
'Wilson, Claire'
'Schr�der, Martin'
_publ_section_title
;
 Formation of nickel-thiolate aggregates via reaction with CH2Cl2
;
_journal_issue                   22
_journal_name_full               'Chemical Communications'
_journal_page_first              2776
_journal_paper_doi               10.1039/b309523a
_journal_year                    2003
_chemical_formula_moiety         'C73 H122 Cl2 Ni2 P4 S4, 4(C H2 Cl2)'
_chemical_formula_sum            'C77 H130 Cl10 Ni2 P4 S4'
_chemical_formula_weight         1779.85
_chemical_name_systematic
;
?
;
_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   'difference Fourier methods'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 92.151(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.971(3)
_cell_length_b                   17.011(2)
_cell_length_c                   23.878(3)
_cell_measurement_reflns_used    6274
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.15
_cell_measurement_theta_min      2.25
_cell_volume                     8918(2)
_computing_cell_refinement       'SAINT v6.02a (Bruker, 2001)'
_computing_data_collection       'SMART v5.624 (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL/PC v5.1 (Bruker, 1997)'
_computing_publication_material  'SHELXL; PLATON (Spek, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker SMART1000 CCD area detector'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_av_sigmaI/netI    0.044
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            22072
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.75
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        none
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.926
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.866
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.03 (Bruker, 2001)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lath
_exptl_crystal_F_000             3768
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.64
_refine_diff_density_min         -0.54
_refine_diff_density_rms         0.07
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         9941
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0416
_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)+(0.044P)²+18.47P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.1126
_reflns_number_gt                7147
_reflns_number_total             10528
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b309523asup1.cif
_cod_data_source_block           NIPCYS
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' 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 

The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'placed geometrically' was
changed to 'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        8918(4)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7111308
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_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
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni Ni 0.738663(16) 0.59483(2) 0.760265(14) 0.02164(9) Uani 1 1 d . . .
S1 S 0.71219(3) 0.63884(4) 0.84269(3) 0.02686(16) Uani 1 1 d . . .
S2 S 0.57015(4) 0.78028(5) 0.74948(3) 0.03831(19) Uani 1 1 d . . .
P1 P 0.71510(3) 0.47760(4) 0.78735(3) 0.02235(15) Uani 1 1 d . . .
P2 P 0.75842(3) 0.54626(4) 0.67845(3) 0.02369(15) Uani 1 1 d . . .
Cl Cl 0.76646(4) 0.70906(4) 0.72456(3) 0.03247(17) Uani 1 1 d . . .
C1 C 0.70808(13) 0.41327(16) 0.72551(11) 0.0270(6) Uani 1 1 d . . .
H1A H 0.7170 0.3584 0.7368 0.032 Uiso 1 1 calc R . .
H1B H 0.6658 0.4153 0.7098 0.032 Uiso 1 1 calc R . .
C2 C 0.75187(14) 0.43830(16) 0.68062(11) 0.0281(6) Uani 1 1 d . . .
H2A H 0.7368 0.4187 0.6436 0.034 Uiso 1 1 calc R . .
H2B H 0.7925 0.4149 0.6889 0.034 Uiso 1 1 calc R . .
C11 C 0.64243(12) 0.46645(17) 0.82179(12) 0.0281(6) Uani 1 1 d . . .
H11A H 0.6465 0.4966 0.8577 0.034 Uiso 1 1 calc R . .
C12 C 0.58929(13) 0.50379(18) 0.78821(13) 0.0327(7) Uani 1 1 d . . .
H12A H 0.6005 0.5576 0.7767 0.039 Uiso 1 1 calc R . .
H12B H 0.5801 0.4725 0.7540 0.039 Uiso 1 1 calc R . .
C13 C 0.53339(14) 0.5069(2) 0.82380(14) 0.0447(8) Uani 1 1 d . . .
H13A H 0.4991 0.5308 0.8018 0.054 Uiso 1 1 calc R . .
H13B H 0.5421 0.5405 0.8570 0.054 Uiso 1 1 calc R . .
C14 C 0.51531(17) 0.4252(3) 0.84290(18) 0.0593(11) Uani 1 1 d . . .
H14A H 0.5013 0.3939 0.8099 0.071 Uiso 1 1 calc R . .
H14B H 0.4810 0.4295 0.8685 0.071 Uiso 1 1 calc R . .
C15 C 0.56838(17) 0.3831(2) 0.87297(17) 0.0546(10) Uani 1 1 d . . .
H15A H 0.5561 0.3284 0.8813 0.066 Uiso 1 1 calc R . .
H15B H 0.5780 0.4098 0.9091 0.066 Uiso 1 1 calc R . .
C16 C 0.62584(16) 0.38144(19) 0.83806(14) 0.0418(8) Uani 1 1 d . . .
H16A H 0.6182 0.3495 0.8038 0.050 Uiso 1 1 calc R . .
H16B H 0.6600 0.3574 0.8601 0.050 Uiso 1 1 calc R . .
C21 C 0.77088(13) 0.42883(17) 0.83579(11) 0.0273(6) Uani 1 1 d . . .
H21A H 0.7623 0.3711 0.8342 0.033 Uiso 1 1 calc R . .
C22 C 0.76481(14) 0.45486(18) 0.89699(11) 0.0317(7) Uani 1 1 d . . .
H22A H 0.7725 0.5121 0.9001 0.038 Uiso 1 1 calc R . .
H22B H 0.7228 0.4446 0.9088 0.038 Uiso 1 1 calc R . .
C23 C 0.81007(17) 0.4106(2) 0.93561(12) 0.0436(8) Uani 1 1 d . . .
H23A H 0.8063 0.4295 0.9745 0.052 Uiso 1 1 calc R . .
H23B H 0.8002 0.3538 0.9348 0.052 Uiso 1 1 calc R . .
C24 C 0.87452(17) 0.4223(3) 0.91796(14) 0.0552(11) Uani 1 1 d . . .
H24A H 0.9025 0.3908 0.9425 0.066 Uiso 1 1 calc R . .
H24B H 0.8858 0.4783 0.9224 0.066 Uiso 1 1 calc R . .
C25 C 0.88146(17) 0.3978(2) 0.85722(14) 0.0517(10) Uani 1 1 d . . .
H25A H 0.8749 0.3404 0.8537 0.062 Uiso 1 1 calc R . .
H25B H 0.9234 0.4094 0.8460 0.062 Uiso 1 1 calc R . .
C26 C 0.83610(14) 0.4408(2) 0.81790(12) 0.0361(7) Uani 1 1 d . . .
H26A H 0.8457 0.4976 0.8180 0.043 Uiso 1 1 calc R . .
H26B H 0.8400 0.4210 0.7792 0.043 Uiso 1 1 calc R . .
C31 C 0.70347(13) 0.57728(17) 0.62152(11) 0.0286(6) Uani 1 1 d . . .
H31A H 0.7016 0.5335 0.5936 0.034 Uiso 1 1 calc R . .
C32 C 0.63935(14) 0.5858(2) 0.64382(13) 0.0368(7) Uani 1 1 d . . .
H32A H 0.6392 0.6286 0.6719 0.044 Uiso 1 1 calc R . .
H32B H 0.6279 0.5364 0.6627 0.044 Uiso 1 1 calc R . .
C33 C 0.59233(15) 0.6040(2) 0.59638(14) 0.0441(8) Uani 1 1 d . . .
H33A H 0.5884 0.5579 0.5712 0.053 Uiso 1 1 calc R . .
H33B H 0.5522 0.6134 0.6126 0.053 Uiso 1 1 calc R . .
C34 C 0.61002(16) 0.6754(2) 0.56260(14) 0.0443(8) Uani 1 1 d . . .
H34A H 0.6079 0.7230 0.5864 0.053 Uiso 1 1 calc R . .
H34B H 0.5807 0.6820 0.5304 0.053 Uiso 1 1 calc R . .
C35 C 0.67405(15) 0.6673(2) 0.54113(13) 0.0411(8) Uani 1 1 d . . .
H35A H 0.6852 0.7161 0.5214 0.049 Uiso 1 1 calc R . .
H35B H 0.6750 0.6234 0.5140 0.049 Uiso 1 1 calc R . .
C36 C 0.72058(15) 0.65174(18) 0.58943(12) 0.0355(7) Uani 1 1 d . . .
H36A H 0.7616 0.6453 0.5743 0.043 Uiso 1 1 calc R . .
H36B H 0.7218 0.6972 0.6153 0.043 Uiso 1 1 calc R . .
C41 C 0.83415(13) 0.56430(17) 0.65123(11) 0.0269(6) Uani 1 1 d . . .
H41A H 0.8363 0.6214 0.6415 0.032 Uiso 1 1 calc R . .
C42 C 0.88539(14) 0.5479(2) 0.69543(12) 0.0372(7) Uani 1 1 d . . .
H42A H 0.8787 0.5798 0.7293 0.045 Uiso 1 1 calc R . .
H42B H 0.8847 0.4917 0.7062 0.045 Uiso 1 1 calc R . .
C43 C 0.94705(15) 0.5680(2) 0.67227(13) 0.0448(8) Uani 1 1 d . . .
H43A H 0.9795 0.5546 0.7005 0.054 Uiso 1 1 calc R . .
H43B H 0.9490 0.6253 0.6652 0.054 Uiso 1 1 calc R . .
C44 C 0.95833(15) 0.5239(2) 0.61817(13) 0.0436(8) Uani 1 1 d . . .
H44A H 0.9977 0.5410 0.6033 0.052 Uiso 1 1 calc R . .
H44B H 0.9609 0.4669 0.6260 0.052 Uiso 1 1 calc R . .
C45 C 0.90759(14) 0.5392(2) 0.57462(12) 0.0373(7) Uani 1 1 d . . .
H45A H 0.9147 0.5076 0.5407 0.045 Uiso 1 1 calc R . .
H45B H 0.9077 0.5954 0.5639 0.045 Uiso 1 1 calc R . .
C46 C 0.84572(13) 0.51782(19) 0.59742(11) 0.0315(6) Uani 1 1 d . . .
H46A H 0.8445 0.4608 0.6055 0.038 Uiso 1 1 calc R . .
H46B H 0.8132 0.5297 0.5688 0.038 Uiso 1 1 calc R . .
C51 C 0.70039(13) 0.74577(17) 0.83698(12) 0.0297(6) Uani 1 1 d . . .
H51A H 0.7394 0.7734 0.8449 0.036 Uiso 1 1 calc R . .
H51B H 0.6860 0.7592 0.7984 0.036 Uiso 1 1 calc R . .
C52 C 0.65430(13) 0.77192(16) 0.87781(11) 0.0261(6) Uani 1 1 d . . .
C53 C 0.67387(13) 0.80450(16) 0.92891(12) 0.0275(6) Uani 1 1 d . . .
H53A H 0.7164 0.8103 0.9365 0.033 Uiso 1 1 calc R . .
C54 C 0.63391(14) 0.82888(17) 0.96929(11) 0.0292(6) Uani 1 1 d . . .
C55 C 0.57180(13) 0.81985(17) 0.95826(12) 0.0302(6) Uani 1 1 d . . .
C56 C 0.55164(13) 0.78751(18) 0.90707(12) 0.0314(6) Uani 1 1 d . . .
H56A H 0.5091 0.7817 0.8997 0.038 Uiso 1 1 calc R . .
C57 C 0.59144(13) 0.76360(17) 0.86669(11) 0.0278(6) Uani 1 1 d . . .
C58 C 0.65920(16) 0.8648(2) 1.02320(12) 0.0397(8) Uani 1 1 d . . .
H58A H 0.7038 0.8657 1.0228 0.060 Uiso 1 1 calc R . .
H58B H 0.6463 0.8334 1.0551 0.060 Uiso 1 1 calc R . .
H58C H 0.6439 0.9186 1.0267 0.060 Uiso 1 1 calc R . .
C59 C 0.52561(16) 0.8434(2) 1.00061(14) 0.0452(8) Uani 1 1 d . . .
H59A H 0.5468 0.8647 1.0341 0.068 Uiso 1 1 calc R . .
H59B H 0.5018 0.7972 1.0109 0.068 Uiso 1 1 calc R . .
H59C H 0.4983 0.8834 0.9842 0.068 Uiso 1 1 calc R . .
C60 C 0.56701(15) 0.72379(18) 0.81425(12) 0.0335(7) Uani 1 1 d . . .
H60A H 0.5240 0.7093 0.8198 0.040 Uiso 1 1 calc R . .
H60B H 0.5900 0.6744 0.8094 0.040 Uiso 1 1 calc R . .
C61 C 0.5000 0.8352(3) 0.7500 0.0383(10) Uani 1 2 d SD . .
H61A H 0.4981(15) 0.8679(18) 0.7173(10) 0.046 Uiso 1 1 d D . .
C1S C 0.11972(14) 0.8823(2) 0.46967(14) 0.0413(8) Uiso 1 1 d . . .
H1SA H 0.1217 0.8257 0.4791 0.050 Uiso 1 1 calc R . .
H1SB H 0.1239 0.8875 0.4287 0.050 Uiso 1 1 calc R . .
Cl11 Cl 0.04893(5) 0.91963(8) 0.48784(5) 0.0705(3) Uani 1 1 d . . .
Cl12 Cl 0.18023(5) 0.93104(7) 0.50432(4) 0.0640(3) Uani 1 1 d . . .
C2S C 0.1354(3) 0.7334(3) 0.6617(2) 0.0362(13) Uiso 0.60 1 d PD A 1
H2SA H 0.1679 0.6972 0.6503 0.043 Uiso 0.60 1 calc PR A 1
H2SB H 0.1479 0.7561 0.6986 0.043 Uiso 0.60 1 calc PR A 1
Cl21 Cl 0.06797(9) 0.68086(15) 0.66815(8) 0.0830(7) Uani 0.60 1 d PD A 1
Cl22 Cl 0.1272(3) 0.8091(4) 0.6125(3) 0.0468(7) Uani 0.60 1 d PD A 1
C2S' C 0.1135(6) 0.7198(7) 0.6701(5) 0.067(3) Uiso 0.40 1 d PD B -2
H2SC H 0.1056 0.6694 0.6504 0.080 Uiso 0.40 1 calc PR B -2
H2SD H 0.1537 0.7157 0.6900 0.080 Uiso 0.40 1 calc PR B -2
Cl1 Cl 0.05841(14) 0.73398(17) 0.71854(14) 0.0744(8) Uani 0.40 1 d PD B -2
Cl2 Cl 0.1164(5) 0.7961(7) 0.6200(5) 0.078(3) Uani 0.40 1 d PD B -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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
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_publ_flag
P1 Ni P2 88.65(3) . yes
P1 Ni S1 88.40(3) . yes
P2 Ni S1 175.66(3) . yes
P1 Ni Cl 174.02(3) . yes
P2 Ni Cl 85.45(3) . yes
S1 Ni Cl 97.54(3) . yes
C51 S1 Ni 108.10(9) . ?
C61 S2 C60 101.99(13) . ?
C11 P1 C1 104.51(13) . ?
C11 P1 C21 103.93(13) . ?
C1 P1 C21 105.59(13) . ?
C11 P1 Ni 116.83(10) . ?
C1 P1 Ni 108.77(9) . ?
C21 P1 Ni 116.07(10) . ?
C41 P2 C2 104.44(13) . ?
C41 P2 C31 105.42(13) . ?
C2 P2 C31 104.71(13) . ?
C41 P2 Ni 117.89(9) . ?
C2 P2 Ni 109.52(9) . ?
C31 P2 Ni 113.69(10) . ?
C2 C1 P1 111.19(19) . ?
C1 C2 P2 110.45(19) . ?
C12 C11 C16 109.8(2) . ?
C12 C11 P1 112.5(2) . ?
C16 C11 P1 115.3(2) . ?
C13 C12 C11 109.8(3) . ?
C12 C13 C14 111.2(3) . ?
C13 C14 C15 111.5(3) . ?
C14 C15 C16 112.4(3) . ?
C15 C16 C11 109.0(3) . ?
C26 C21 C22 110.1(2) . ?
C26 C21 P1 111.89(19) . ?
C22 C21 P1 112.7(2) . ?
C23 C22 C21 110.7(2) . ?
C24 C23 C22 111.3(3) . ?
C23 C24 C25 111.1(3) . ?
C24 C25 C26 111.5(3) . ?
C21 C26 C25 111.2(3) . ?
C32 C31 C36 110.0(2) . ?
C32 C31 P2 110.67(19) . ?
C36 C31 P2 115.8(2) . ?
C31 C32 C33 111.4(3) . ?
C34 C33 C32 112.0(3) . ?
C33 C34 C35 111.4(3) . ?
C34 C35 C36 111.1(3) . ?
C31 C36 C35 110.4(3) . ?
C46 C41 C42 109.9(2) . ?
C46 C41 P2 113.0(2) . ?
C42 C41 P2 112.11(19) . ?
C43 C42 C41 110.4(2) . ?
C42 C43 C44 111.9(3) . ?
C45 C44 C43 111.0(3) . ?
C44 C45 C46 110.8(2) . ?
C45 C46 C41 110.7(2) . ?
C52 C51 S1 109.98(19) . ?
C53 C52 C57 118.3(3) . ?
C53 C52 C51 119.6(3) . ?
C57 C52 C51 122.1(3) . ?
C54 C53 C52 122.9(3) . ?
C55 C54 C53 118.5(3) . ?
C55 C54 C58 122.2(3) . ?
C53 C54 C58 119.3(3) . ?
C54 C55 C56 119.1(3) . ?
C54 C55 C59 121.5(3) . ?
C56 C55 C59 119.3(3) . ?
C57 C56 C55 122.4(3) . ?
C56 C57 C52 118.7(3) . ?
C56 C57 C60 119.7(3) . ?
C52 C57 C60 121.4(3) . ?
C57 C60 S2 116.4(2) . ?
S2 C61 S2 117.6(3) 2_656 ?
Cl12 C1S Cl11 112.20(19) . ?
Cl21 C2S Cl22 111.7(4) . ?
Cl1 C2S' Cl2 113.3(8) . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni P1 2.1652(8) . yes
Ni P2 2.1796(8) . yes
Ni S1 2.2042(8) . yes
Ni Cl 2.2170(8) . yes
S1 C51 1.842(3) . ?
S2 C61 1.803(3) . ?
S2 C60 1.824(3) . ?
P1 C11 1.833(3) . ?
P1 C1 1.840(3) . ?
P1 C21 1.850(3) . ?
P2 C41 1.835(3) . ?
P2 C2 1.843(3) . ?
P2 C31 1.860(3) . ?
C1 C2 1.527(4) . ?
C11 C12 1.530(4) . ?
C11 C16 1.544(4) . ?
C12 C13 1.520(4) . ?
C13 C14 1.521(5) . ?
C14 C15 1.525(6) . ?
C15 C16 1.539(5) . ?
C21 C26 1.524(4) . ?
C21 C22 1.538(4) . ?
C22 C23 1.529(4) . ?
C23 C24 1.506(5) . ?
C24 C25 1.522(5) . ?
C25 C26 1.530(4) . ?
C31 C32 1.531(4) . ?
C31 C36 1.534(4) . ?
C32 C33 1.536(4) . ?
C33 C34 1.517(5) . ?
C34 C35 1.522(5) . ?
C35 C36 1.535(4) . ?
C41 C46 1.538(4) . ?
C41 C42 1.539(4) . ?
C42 C43 1.521(4) . ?
C43 C44 1.522(5) . ?
C44 C45 1.518(4) . ?
C45 C46 1.527(4) . ?
C51 C52 1.499(4) . ?
C52 C53 1.393(4) . ?
C52 C57 1.404(4) . ?
C53 C54 1.391(4) . ?
C54 C55 1.389(4) . ?
C54 C58 1.512(4) . ?
C55 C56 1.397(4) . ?
C55 C59 1.513(4) . ?
C56 C57 1.387(4) . ?
C57 C60 1.505(4) . ?
C61 S2 1.803(3) 2_656 ?
C1S Cl12 1.748(3) . ?
C1S Cl11 1.750(3) . ?
C2S Cl21 1.742(6) . ?
C2S Cl22 1.749(7) . ?
C2S' Cl1 1.723(11) . ?
C2S' Cl2 1.768(12) . ?
