#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:10:05 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179778 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/74/7007463.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_7007463
loop_
_publ_author_name
'Jeffery, Stephen P.'
'Green, Kayla N.'
'Rampersad, Marilyn V.'
'Reibenspies, Joseph H.'
'Darensbourg, Marcetta Y.'
_publ_section_title
;
 NiN(2)S(2) complexes as metallodithiolate ligands to Rh(I), Rh(II) and
 Rh(III).
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4244
_journal_page_last               4252
_journal_paper_doi               10.1039/b605768c
_journal_year                    2006
_chemical_formula_sum            'C52 H84 F12 N14 Ni4 O8 Rh2 S8'
_chemical_formula_weight         1930.46
_chemical_name_systematic
;
?
;
_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                102.397(4)
_cell_angle_beta                 94.325(4)
_cell_angle_gamma                118.550(4)
_cell_formula_units_Z            1
_cell_length_a                   12.611(3)
_cell_length_b                   12.738(3)
_cell_length_c                   13.248(3)
_cell_measurement_reflns_used    935
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.72
_cell_volume                     1786.0(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0131
_diffrn_reflns_av_sigmaI/netI    0.0210
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9336
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    1.807
_exptl_absorpt_correction_T_max  0.7138
_exptl_absorpt_correction_T_min  0.6131
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             982
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.051
_refine_diff_density_min         -0.712
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         6143
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0468
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.282
_refine_ls_shift/su_mean         0.018
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0818P)²+3.4578P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1197
_reflns_number_gt                5564
_reflns_number_total             6143
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b605768c.txt
_cod_data_source_block           rh
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1786.0(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7007463
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Rh1 Rh 0.03524(2) 0.41301(2) 0.02134(2) 0.02091(11) Uani 1 1 d . . .
Ni1 Ni 0.27323(4) 0.65580(4) -0.08513(4) 0.02455(14) Uani 1 1 d . . .
Ni2 Ni 0.14079(4) 0.69093(4) 0.25963(4) 0.02568(14) Uani 1 1 d . . .
S1 S 0.17081(9) 0.73482(9) -0.01796(8) 0.0290(2) Uani 1 1 d . . .
S2 S 0.24489(8) 0.55132(9) 0.02612(7) 0.0269(2) Uani 1 1 d . . .
S3 S -0.00689(8) 0.67919(9) 0.16008(7) 0.0245(2) Uani 1 1 d . . .
S4 S 0.06576(9) 0.49521(9) 0.20572(7) 0.0262(2) Uani 1 1 d . . .
N1 N 0.3136(3) 0.7503(3) -0.1847(3) 0.0362(8) Uani 1 1 d . . .
N2 N 0.3733(4) 0.5961(3) -0.1489(3) 0.0396(9) Uani 1 1 d . . .
N3 N 0.2146(3) 0.8673(3) 0.3187(3) 0.0375(8) Uani 1 1 d . . .
N4 N 0.2730(3) 0.7136(3) 0.3595(3) 0.0389(8) Uani 1 1 d . . .
N5 N 0.0889(3) 0.2827(3) 0.0555(2) 0.0265(7) Uani 1 1 d . . .
C1 C 0.1700(5) 0.8106(5) -0.1238(4) 0.0476(12) Uani 1 1 d . . .
H1A H 0.1013 0.7503 -0.1845 0.057 Uiso 1 1 calc R . .
H1B H 0.1584 0.8823 -0.0966 0.057 Uiso 1 1 calc R . .
C2 C 0.2876(6) 0.8529(5) -0.1571(4) 0.0536(13) Uani 1 1 d . . .
H2A H 0.3544 0.9226 -0.0993 0.064 Uiso 1 1 calc R . .
H2B H 0.2853 0.8840 -0.2191 0.064 Uiso 1 1 calc R . .
C3 C 0.2431(5) 0.6608(4) -0.2905(3) 0.0413(10) Uani 1 1 d . . .
H3A H 0.2529 0.7082 -0.3428 0.050 Uiso 1 1 calc R . .
H3B H 0.1543 0.6155 -0.2885 0.050 Uiso 1 1 calc R . .
C4 C 0.2829(5) 0.5681(5) -0.3264(4) 0.0459(11) Uani 1 1 d . . .
H4A H 0.2209 0.5027 -0.3893 0.055 Uiso 1 1 calc R . .
H4B H 0.3617 0.6111 -0.3497 0.055 Uiso 1 1 calc R . .
C5 C 0.3007(5) 0.5054(5) -0.2508(4) 0.0448(11) Uani 1 1 d . . .
H5A H 0.2193 0.4430 -0.2416 0.054 Uiso 1 1 calc R . .
H5B H 0.3436 0.4612 -0.2788 0.054 Uiso 1 1 calc R . .
C6 C 0.4521(5) 0.8008(5) -0.1841(4) 0.0562(14) Uani 1 1 d . . .
H6A H 0.5023 0.8826 -0.1300 0.067 Uiso 1 1 calc R . .
H6B H 0.4691 0.8123 -0.2539 0.067 Uiso 1 1 calc R . .
C7 C 0.4867(4) 0.7047(4) -0.1587(4) 0.0424(11) Uani 1 1 d . . .
H7A H 0.5220 0.6776 -0.2161 0.051 Uiso 1 1 calc R . .
H7B H 0.5490 0.7439 -0.0920 0.051 Uiso 1 1 calc R . .
C8 C 0.4151(5) 0.5382(5) -0.0769(4) 0.0480(12) Uani 1 1 d . . .
H8A H 0.4471 0.4885 -0.1171 0.058 Uiso 1 1 calc R . .
H8B H 0.4823 0.6049 -0.0177 0.058 Uiso 1 1 calc R . .
C9 C 0.3127(4) 0.4597(4) -0.0364(4) 0.0380(10) Uani 1 1 d . . .
H9A H 0.3408 0.4288 0.0162 0.046 Uiso 1 1 calc R . .
H9B H 0.2499 0.3869 -0.0946 0.046 Uiso 1 1 calc R . .
C10 C 0.0604(4) 0.8492(4) 0.1838(3) 0.0323(9) Uani 1 1 d . . .
H10A H 0.1180 0.8790 0.1361 0.039 Uiso 1 1 calc R . .
H10B H -0.0057 0.8683 0.1697 0.039 Uiso 1 1 calc R . .
C11 C 0.1272(5) 0.9120(4) 0.2955(4) 0.0422(10) Uani 1 1 d . . .
H11A H 0.0676 0.8924 0.3429 0.051 Uiso 1 1 calc R . .
H11B H 0.1737 1.0035 0.3078 0.051 Uiso 1 1 calc R . .
C12 C 0.3274(4) 0.9250(4) 0.2757(4) 0.0415(10) Uani 1 1 d . . .
H12A H 0.3605 1.0160 0.2932 0.050 Uiso 1 1 calc R . .
H12B H 0.3055 0.8912 0.1978 0.050 Uiso 1 1 calc R . .
C13 C 0.4250(4) 0.9024(5) 0.3177(4) 0.0483(12) Uani 1 1 d . . .
H13A H 0.4627 0.9565 0.3913 0.058 Uiso 1 1 calc R . .
H13B H 0.4902 0.9295 0.2760 0.058 Uiso 1 1 calc R . .
C14 C 0.3867(4) 0.7721(5) 0.3176(4) 0.0418(11) Uani 1 1 d . . .
H14A H 0.3724 0.7216 0.2445 0.050 Uiso 1 1 calc R . .
H14B H 0.4543 0.7724 0.3611 0.050 Uiso 1 1 calc R . .
C15 C 0.2502(5) 0.8967(4) 0.4367(4) 0.0460(12) Uani 1 1 d . . .
H15A H 0.1809 0.8927 0.4696 0.055 Uiso 1 1 calc R . .
H15B H 0.3223 0.9820 0.4659 0.055 Uiso 1 1 calc R . .
C16 C 0.2825(4) 0.8001(5) 0.4619(3) 0.0433(11) Uani 1 1 d . . .
H16A H 0.3673 0.8439 0.5049 0.052 Uiso 1 1 calc R . .
H16B H 0.2247 0.7516 0.5029 0.052 Uiso 1 1 calc R . .
C17 C 0.2470(5) 0.5923(5) 0.3782(4) 0.0426(11) Uani 1 1 d . . .
H17A H 0.3237 0.6012 0.4144 0.051 Uiso 1 1 calc R . .
H17B H 0.1857 0.5681 0.4238 0.051 Uiso 1 1 calc R . .
C18 C 0.1984(4) 0.4949(4) 0.2749(3) 0.0344(9) Uani 1 1 d . . .
H18A H 0.1719 0.4122 0.2859 0.041 Uiso 1 1 calc R . .
H18B H 0.2631 0.5133 0.2325 0.041 Uiso 1 1 calc R . .
C19 C 0.1153(3) 0.2177(4) 0.0775(3) 0.0250(8) Uani 1 1 d . . .
C20 C 0.1468(4) 0.1296(4) 0.1090(3) 0.0329(9) Uani 1 1 d . . .
H20A H 0.1479 0.0738 0.0458 0.049 Uiso 1 1 calc R . .
H20B H 0.0850 0.0802 0.1457 0.049 Uiso 1 1 calc R . .
H20C H 0.2284 0.1764 0.1561 0.049 Uiso 1 1 calc R . .
C21 C 0.2472(4) 0.1121(4) 0.8608(4) 0.0404(10) Uani 1 1 d . . .
O1 O 0.3351(4) 0.1419(4) 0.9305(3) 0.0730(12) Uani 1 1 d . A .
O2 O 0.1354(3) 0.0470(3) 0.8568(3) 0.0428(7) Uani 1 1 d . A .
C22A C 0.2774(5) 0.1542(5) 0.7609(5) 0.0532(13) Uani 0.58(9) 1 d PD A -1
F1A F 0.203(2) 0.191(3) 0.7280(18) 0.077(5) Uani 0.58(9) 1 d PD A -1
F2A F 0.265(3) 0.060(2) 0.6816(16) 0.055(4) Uani 0.58(9) 1 d PD A -1
F3A F 0.3902(11) 0.2495(19) 0.767(3) 0.075(5) Uani 0.58(9) 1 d PD A -1
C22B C 0.2774(5) 0.1542(5) 0.7609(5) 0.0532(13) Uani 0.42(9) 1 d PD A -2
F1B F 0.1886(17) 0.164(3) 0.708(3) 0.070(6) Uani 0.42(9) 1 d PD A -2
F2B F 0.297(4) 0.074(3) 0.693(3) 0.059(6) Uani 0.42(9) 1 d PD A -2
F3B F 0.3846(18) 0.262(2) 0.787(4) 0.083(8) Uani 0.42(9) 1 d PD A -2
C23 C 0.3993(4) 0.2533(4) 0.4199(3) 0.0331(9) Uani 1 1 d . . .
O3 O 0.4793(3) 0.2274(3) 0.4436(3) 0.0426(7) Uani 1 1 d . B .
O4 O 0.3302(3) 0.2219(3) 0.3354(2) 0.0426(7) Uani 1 1 d . B .
C24A C 0.3753(6) 0.3289(7) 0.5122(4) 0.0616(16) Uani 0.41(5) 1 d PD B -1
F4A F 0.369(3) 0.425(2) 0.4930(15) 0.072(6) Uani 0.41(5) 1 d PD B -1
F5A F 0.2722(10) 0.270(2) 0.5505(13) 0.070(6) Uani 0.41(5) 1 d PD B -1
F6A F 0.460(2) 0.372(3) 0.5998(12) 0.117(10) Uani 0.41(5) 1 d PD B -1
C24B C 0.3753(6) 0.3289(7) 0.5122(4) 0.0616(16) Uani 0.59(5) 1 d PD B -2
F4B F 0.322(2) 0.388(2) 0.4828(12) 0.105(6) Uani 0.59(5) 1 d PD B -2
F5B F 0.2799(12) 0.237(2) 0.5426(13) 0.107(6) Uani 0.59(5) 1 d PD B -2
F6B F 0.4687(8) 0.4021(15) 0.5942(9) 0.078(4) Uani 0.59(5) 1 d PD B -2
N6 N -0.0059(5) 0.3254(6) 0.4556(5) 0.0759(16) Uani 1 1 d . . .
C25 C 0.0143(5) 0.2488(6) 0.4178(4) 0.0506(12) Uani 1 1 d . . .
C26 C 0.0406(5) 0.1535(6) 0.3712(5) 0.0701(18) Uani 1 1 d . . .
H26A H 0.0333 0.1028 0.4194 0.105 Uiso 1 1 calc R . .
H26B H 0.1247 0.1922 0.3583 0.105 Uiso 1 1 calc R . .
H26C H -0.0183 0.1003 0.3042 0.105 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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'
Rh Rh -1.1178 0.9187 '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
_geom_angle_publ_flag
N5 Rh1 S3 88.79(9) . 2_565 ?
N5 Rh1 S1 88.31(9) . 2_565 ?
S3 Rh1 S1 89.87(3) 2_565 2_565 ?
N5 Rh1 S2 88.01(9) . . ?
S3 Rh1 S2 89.75(3) 2_565 . ?
S1 Rh1 S2 176.31(3) 2_565 . ?
N5 Rh1 S4 87.50(9) . . ?
S3 Rh1 S4 176.26(3) 2_565 . ?
S1 Rh1 S4 89.56(4) 2_565 . ?
S2 Rh1 S4 90.59(3) . . ?
N5 Rh1 Rh1 179.35(8) . 2_565 ?
S3 Rh1 Rh1 91.86(3) 2_565 2_565 ?
S1 Rh1 Rh1 91.74(3) 2_565 2_565 ?
S2 Rh1 Rh1 91.95(3) . 2_565 ?
S4 Rh1 Rh1 91.85(3) . 2_565 ?
N1 Ni1 N2 82.77(17) . . ?
N1 Ni1 S1 93.24(12) . . ?
N2 Ni1 S1 175.52(12) . . ?
N1 Ni1 S2 174.49(12) . . ?
N2 Ni1 S2 92.46(12) . . ?
S1 Ni1 S2 91.43(4) . . ?
N4 Ni2 N3 83.12(16) . . ?
N4 Ni2 S4 92.65(12) . . ?
N3 Ni2 S4 175.38(12) . . ?
N4 Ni2 S3 174.42(12) . . ?
N3 Ni2 S3 92.42(11) . . ?
S4 Ni2 S3 91.69(4) . . ?
C1 S1 Ni1 94.65(17) . . ?
C1 S1 Rh1 108.12(17) . 2_565 ?
Ni1 S1 Rh1 114.14(5) . 2_565 ?
C9 S2 Ni1 95.61(15) . . ?
C9 S2 Rh1 108.65(16) . . ?
Ni1 S2 Rh1 114.00(4) . . ?
C10 S3 Ni2 96.16(14) . . ?
C10 S3 Rh1 108.69(14) . 2_565 ?
Ni2 S3 Rh1 115.58(4) . 2_565 ?
C18 S4 Ni2 95.99(14) . . ?
C18 S4 Rh1 110.13(14) . . ?
Ni2 S4 Rh1 115.07(4) . . ?
C2 N1 C3 113.1(4) . . ?
C2 N1 C6 111.1(4) . . ?
C3 N1 C6 107.5(4) . . ?
C2 N1 Ni1 111.3(3) . . ?
C3 N1 Ni1 106.8(3) . . ?
C6 N1 Ni1 106.7(3) . . ?
C5 N2 C7 112.7(4) . . ?
C5 N2 C8 111.3(4) . . ?
C7 N2 C8 106.4(4) . . ?
C5 N2 Ni1 108.0(3) . . ?
C7 N2 Ni1 108.1(3) . . ?
C8 N2 Ni1 110.4(3) . . ?
C12 N3 C11 113.0(4) . . ?
C12 N3 C15 109.3(3) . . ?
C11 N3 C15 108.4(4) . . ?
C12 N3 Ni2 106.0(3) . . ?
C11 N3 Ni2 112.1(3) . . ?
C15 N3 Ni2 107.8(3) . . ?
C14 N4 C17 112.5(4) . . ?
C14 N4 C16 110.5(3) . . ?
C17 N4 C16 108.6(4) . . ?
C14 N4 Ni2 107.0(3) . . ?
C17 N4 Ni2 111.2(3) . . ?
C16 N4 Ni2 106.9(3) . . ?
C19 N5 Rh1 176.7(3) . . ?
C2 C1 S1 108.2(4) . . ?
C1 C2 N1 110.6(4) . . ?
N1 C3 C4 113.5(4) . . ?
C5 C4 C3 118.1(4) . . ?
N2 C5 C4 110.5(4) . . ?
N1 C6 C7 108.6(4) . . ?
N2 C7 C6 108.3(4) . . ?
C9 C8 N2 109.3(4) . . ?
C8 C9 S2 108.7(3) . . ?
C11 C10 S3 108.2(3) . . ?
C10 C11 N3 108.9(3) . . ?
N3 C12 C13 112.9(4) . . ?
C12 C13 C14 117.1(4) . . ?
N4 C14 C13 112.4(4) . . ?
N3 C15 C16 109.0(3) . . ?
N4 C16 C15 108.9(3) . . ?
C18 C17 N4 108.9(4) . . ?
C17 C18 S4 107.5(3) . . ?
N5 C19 C20 178.0(4) . . ?
O2 C21 O1 129.0(5) . . ?
O2 C21 C22A 113.8(4) . . ?
O1 C21 C22A 117.1(5) . . ?
F1A C22A F3A 103.6(13) . . ?
F1A C22A F2A 107.9(12) . . ?
F3A C22A F2A 104.5(13) . . ?
F1A C22A C21 111.1(7) . . ?
F3A C22A C21 118.2(17) . . ?
F2A C22A C21 110.9(12) . . ?
O4 C23 O3 130.6(4) . . ?
O4 C23 C24A 113.8(4) . . ?
O3 C23 C24A 115.4(4) . . ?
F6A C24A F4A 107.9(13) . . ?
F6A C24A F5A 99.0(13) . . ?
F4A C24A F5A 103.0(12) . . ?
F6A C24A C23 112.2(10) . . ?
F4A C24A C23 114.2(10) . . ?
F5A C24A C23 118.9(11) . . ?
N6 C25 C26 179.5(7) . . ?
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
Rh1 N5 2.183(3) . ?
Rh1 S3 2.3540(11) 2_565 ?
Rh1 S1 2.3600(11) 2_565 ?
Rh1 S2 2.3606(11) . ?
Rh1 S4 2.3635(11) . ?
Rh1 Rh1 2.8925(8) 2_565 ?
Ni1 N1 1.910(3) . ?
Ni1 N2 1.920(4) . ?
Ni1 S1 2.1224(11) . ?
Ni1 S2 2.1302(11) . ?
Ni2 N4 1.912(4) . ?
Ni2 N3 1.913(4) . ?
Ni2 S4 2.1211(12) . ?
Ni2 S3 2.1234(11) . ?
S1 C1 1.868(5) . ?
S1 Rh1 2.3599(11) 2_565 ?
S2 C9 1.851(4) . ?
S3 C10 1.849(4) . ?
S3 Rh1 2.3540(11) 2_565 ?
S4 C18 1.848(4) . ?
N1 C2 1.473(6) . ?
N1 C3 1.488(6) . ?
N1 C6 1.545(7) . ?
N2 C5 1.458(6) . ?
N2 C7 1.480(6) . ?
N2 C8 1.527(6) . ?
N3 C12 1.481(6) . ?
N3 C11 1.502(6) . ?
N3 C15 1.506(6) . ?
N4 C14 1.481(6) . ?
N4 C17 1.500(6) . ?
N4 C16 1.509(6) . ?
N5 C19 1.111(5) . ?
C1 C2 1.457(8) . ?
C3 C4 1.496(7) . ?
C4 C5 1.474(7) . ?
C6 C7 1.571(8) . ?
C8 C9 1.434(7) . ?
C10 C11 1.483(6) . ?
C12 C13 1.487(7) . ?
C13 C14 1.490(7) . ?
C15 C16 1.558(7) . ?
C17 C18 1.485(6) . ?
C19 C20 1.482(6) . ?
C21 O2 1.237(6) . ?
C21 O1 1.232(6) . ?
C21 C22A 1.540(7) . ?
C22A F1A 1.321(11) . ?
C22A F3A 1.339(12) . ?
C22A F2A 1.349(11) . ?
C23 O4 1.226(5) . ?
C23 O3 1.240(5) . ?
C23 C24A 1.530(7) . ?
C24A F6A 1.325(12) . ?
C24A F4A 1.345(12) . ?
C24A F5A 1.357(13) . ?
N6 C25 1.147(8) . ?
C25 C26 1.434(8) . ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Ni1 S1 C1 11.0(2) . . . . ?
N2 Ni1 S1 C1 38.0(17) . . . . ?
S2 Ni1 S1 C1 -171.90(18) . . . . ?
N1 Ni1 S1 Rh1 123.26(12) . . . 2_565 ?
N2 Ni1 S1 Rh1 150.3(17) . . . 2_565 ?
S2 Ni1 S1 Rh1 -59.67(5) . . . 2_565 ?
N1 Ni1 S2 C9 -39.6(12) . . . . ?
N2 Ni1 S2 C9 -9.73(19) . . . . ?
S1 Ni1 S2 C9 172.51(15) . . . . ?
N1 Ni1 S2 Rh1 -152.9(12) . . . . ?
N2 Ni1 S2 Rh1 -123.02(13) . . . . ?
S1 Ni1 S2 Rh1 59.22(5) . . . . ?
N5 Rh1 S2 C9 38.79(17) . . . . ?
S3 Rh1 S2 C9 -50.01(15) 2_565 . . . ?
S1 Rh1 S2 C9 34.0(6) 2_565 . . . ?
S4 Rh1 S2 C9 126.27(15) . . . . ?
Rh1 Rh1 S2 C9 -141.86(15) 2_565 . . . ?
N5 Rh1 S2 Ni1 144.05(9) . . . . ?
S3 Rh1 S2 Ni1 55.25(5) 2_565 . . . ?
S1 Rh1 S2 Ni1 139.3(5) 2_565 . . . ?
S4 Rh1 S2 Ni1 -128.47(5) . . . . ?
Rh1 Rh1 S2 Ni1 -36.60(4) 2_565 . . . ?
N4 Ni2 S3 C10 47.4(13) . . . . ?
N3 Ni2 S3 C10 10.68(19) . . . . ?
S4 Ni2 S3 C10 -171.45(14) . . . . ?
N4 Ni2 S3 Rh1 161.5(13) . . . 2_565 ?
N3 Ni2 S3 Rh1 124.82(13) . . . 2_565 ?
S4 Ni2 S3 Rh1 -57.30(5) . . . 2_565 ?
N4 Ni2 S4 C18 -10.46(19) . . . . ?
N3 Ni2 S4 C18 -34.3(15) . . . . ?
S3 Ni2 S4 C18 173.03(15) . . . . ?
N4 Ni2 S4 Rh1 -126.00(13) . . . . ?
N3 Ni2 S4 Rh1 -149.8(15) . . . . ?
S3 Ni2 S4 Rh1 57.49(5) . . . . ?
N5 Rh1 S4 C18 36.46(17) . . . . ?
S3 Rh1 S4 C18 43.6(5) 2_565 . . . ?
S1 Rh1 S4 C18 124.79(15) 2_565 . . . ?
S2 Rh1 S4 C18 -51.52(15) . . . . ?
Rh1 Rh1 S4 C18 -143.49(15) 2_565 . . . ?
N5 Rh1 S4 Ni2 143.57(10) . . . . ?
S3 Rh1 S4 Ni2 150.7(5) 2_565 . . . ?
S1 Rh1 S4 Ni2 -128.10(5) 2_565 . . . ?
S2 Rh1 S4 Ni2 55.59(5) . . . . ?
Rh1 Rh1 S4 Ni2 -36.38(5) 2_565 . . . ?
N2 Ni1 N1 C2 -163.9(4) . . . . ?
S1 Ni1 N1 C2 14.0(3) . . . . ?
S2 Ni1 N1 C2 -133.8(11) . . . . ?
N2 Ni1 N1 C3 72.2(3) . . . . ?
S1 Ni1 N1 C3 -109.9(3) . . . . ?
S2 Ni1 N1 C3 102.3(12) . . . . ?
N2 Ni1 N1 C6 -42.5(3) . . . . ?
S1 Ni1 N1 C6 135.4(3) . . . . ?
S2 Ni1 N1 C6 -12.4(14) . . . . ?
N1 Ni1 N2 C5 -76.7(3) . . . . ?
S1 Ni1 N2 C5 -103.9(16) . . . . ?
S2 Ni1 N2 C5 106.1(3) . . . . ?
N1 Ni1 N2 C7 45.5(3) . . . . ?
S1 Ni1 N2 C7 18.3(19) . . . . ?
S2 Ni1 N2 C7 -131.7(3) . . . . ?
N1 Ni1 N2 C8 161.4(3) . . . . ?
S1 Ni1 N2 C8 134.2(15) . . . . ?
S2 Ni1 N2 C8 -15.8(3) . . . . ?
N4 Ni2 N3 C12 74.7(3) . . . . ?
S4 Ni2 N3 C12 98.7(15) . . . . ?
S3 Ni2 N3 C12 -108.6(3) . . . . ?
N4 Ni2 N3 C11 -161.5(3) . . . . ?
S4 Ni2 N3 C11 -137.5(14) . . . . ?
S3 Ni2 N3 C11 15.1(3) . . . . ?
N4 Ni2 N3 C15 -42.3(3) . . . . ?
S4 Ni2 N3 C15 -18.3(17) . . . . ?
S3 Ni2 N3 C15 134.4(3) . . . . ?
N3 Ni2 N4 C14 -74.9(3) . . . . ?
S4 Ni2 N4 C14 107.0(3) . . . . ?
S3 Ni2 N4 C14 -111.9(12) . . . . ?
N3 Ni2 N4 C17 161.9(3) . . . . ?
S4 Ni2 N4 C17 -16.2(3) . . . . ?
S3 Ni2 N4 C17 125.0(12) . . . . ?
N3 Ni2 N4 C16 43.6(3) . . . . ?
S4 Ni2 N4 C16 -134.6(3) . . . . ?
S3 Ni2 N4 C16 6.6(15) . . . . ?
S3 Rh1 N5 C19 -163(5) 2_565 . . . ?
S1 Rh1 N5 C19 -73(5) 2_565 . . . ?
S2 Rh1 N5 C19 107(5) . . . . ?
S4 Rh1 N5 C19 16(5) . . . . ?
Rh1 Rh1 N5 C19 21(12) 2_565 . . . ?
Ni1 S1 C1 C2 -35.7(4) . . . . ?
Rh1 S1 C1 C2 -153.0(3) 2_565 . . . ?
S1 C1 C2 N1 52.3(5) . . . . ?
C3 N1 C2 C1 77.7(5) . . . . ?
C6 N1 C2 C1 -161.2(4) . . . . ?
Ni1 N1 C2 C1 -42.5(5) . . . . ?
C2 N1 C3 C4 171.0(4) . . . . ?
C6 N1 C3 C4 47.9(5) . . . . ?
Ni1 N1 C3 C4 -66.2(4) . . . . ?
N1 C3 C4 C5 46.1(6) . . . . ?
C7 N2 C5 C4 -49.0(5) . . . . ?
C8 N2 C5 C4 -168.3(4) . . . . ?
Ni1 N2 C5 C4 70.3(4) . . . . ?
C3 C4 C5 N2 -47.2(6) . . . . ?
C2 N1 C6 C7 152.8(4) . . . . ?
C3 N1 C6 C7 -82.9(4) . . . . ?
Ni1 N1 C6 C7 31.3(4) . . . . ?
C5 N2 C7 C6 83.8(5) . . . . ?
C8 N2 C7 C6 -154.0(4) . . . . ?
Ni1 N2 C7 C6 -35.5(4) . . . . ?
N1 C6 C7 N2 2.5(5) . . . . ?
C5 N2 C8 C9 -75.4(5) . . . . ?
C7 N2 C8 C9 161.6(4) . . . . ?
Ni1 N2 C8 C9 44.6(5) . . . . ?
N2 C8 C9 S2 -53.7(5) . . . . ?
Ni1 S2 C9 C8 36.5(3) . . . . ?
Rh1 S2 C9 C8 154.2(3) . . . . ?
Ni2 S3 C10 C11 -35.9(3) . . . . ?
Rh1 S3 C10 C11 -155.6(3) 2_565 . . . ?
S3 C10 C11 N3 51.8(4) . . . . ?
C12 N3 C11 C10 76.9(5) . . . . ?
C15 N3 C11 C10 -161.7(4) . . . . ?
Ni2 N3 C11 C10 -42.9(4) . . . . ?
C11 N3 C12 C13 167.6(4) . . . . ?
C15 N3 C12 C13 46.8(5) . . . . ?
Ni2 N3 C12 C13 -69.1(4) . . . . ?
N3 C12 C13 C14 47.4(6) . . . . ?
C17 N4 C14 C13 -169.5(4) . . . . ?
C16 N4 C14 C13 -47.9(5) . . . . ?
Ni2 N4 C14 C13 68.1(4) . . . . ?
C12 C13 C14 N4 -46.4(6) . . . . ?
C12 N3 C15 C16 -84.3(4) . . . . ?
C11 N3 C15 C16 152.1(4) . . . . ?
Ni2 N3 C15 C16 30.6(4) . . . . ?
C14 N4 C16 C15 81.5(4) . . . . ?
C17 N4 C16 C15 -154.7(4) . . . . ?
Ni2 N4 C16 C15 -34.6(4) . . . . ?
N3 C15 C16 N4 2.7(5) . . . . ?
C14 N4 C17 C18 -75.3(5) . . . . ?
C16 N4 C17 C18 162.1(4) . . . . ?
Ni2 N4 C17 C18 44.7(4) . . . . ?
N4 C17 C18 S4 -53.5(4) . . . . ?
Ni2 S4 C18 C17 36.4(3) . . . . ?
Rh1 S4 C18 C17 155.9(3) . . . . ?
Rh1 N5 C19 C20 41(16) . . . . ?
O2 C21 C22A F1A 43.3(16) . . . . ?
O1 C21 C22A F1A -139.8(16) . . . . ?
O2 C21 C22A F3A 162.8(15) . . . . ?
O1 C21 C22A F3A -20.3(16) . . . . ?
O2 C21 C22A F2A -76.7(17) . . . . ?
O1 C21 C22A F2A 100.2(17) . . . . ?
O4 C23 C24A F6A -173.4(18) . . . . ?
O3 C23 C24A F6A 10.8(19) . . . . ?
O4 C23 C24A F4A -50.1(17) . . . . ?
O3 C23 C24A F4A 134.0(16) . . . . ?
O4 C23 C24A F5A 71.9(14) . . . . ?
O3 C23 C24A F5A -103.9(13) . . . . ?
