#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/98/4079802.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_4079802
loop_
_publ_author_name
'Kim, Kyoungmok'
'Kishima, Takahiro'
'Matsumoto, Takahiro'
'Nakai, Hidetaka'
'Ogo, Seiji'
_publ_section_title
;
 Selective Redox Activation of H2or O2in a [NiRu] Complex by Aromatic
 Ligand Effects
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              79
_journal_paper_doi               10.1021/om300833m
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C25 H39 F9 N3 Na Ni O9 Ru S5 '
_chemical_formula_sum            'C25 H39 F9 N3 Na Ni O9 Ru S5'
_chemical_formula_weight         1039.64
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.873(5)
_cell_angle_beta                 92.075(3)
_cell_angle_gamma                111.617(3)
_cell_formula_units_Z            2
_cell_length_a                   11.732(4)
_cell_length_b                   13.504(5)
_cell_length_c                   13.574(4)
_cell_measurement_reflns_used    5909
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1941.6(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      123.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15637
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.248
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.806
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1052.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.03
_refine_diff_density_min         -1.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     530
_refine_ls_number_reflns         8532
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0001Fo² + 1.0000σ(Fo²)]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                5999
_reflns_number_total             8532
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om300833m_si_003.cif
_cod_data_source_block           '__NiRuPMBOTf_001'
_cod_original_cell_volume        1941.5(11)
_cod_original_formula_sum        'C25 H39 F9 N3 Na Ni O9 Ru S5 '
_cod_database_code               4079802
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
Ru(1) Ru 0.26662(3) 0.02236(3) 0.24646(2) 0.01454(8) Uani 1.00 1 d .
Ni(1) Ni 0.10282(4) 0.13508(4) 0.16044(4) 0.01482(12) Uani 1.00 1 d .
S(1) S 0.05620(9) 0.00760(8) 0.24393(8) 0.0167(2) Uani 1.00 1 d .
S(2) S 0.20277(9) 0.04088(8) 0.08201(8) 0.0174(2) Uani 1.00 1 d .
S(3) S 0.83374(9) 0.40685(9) 0.53883(8) 0.0228(2) Uani 1.00 1 d .
S(4) S 0.75219(10) 0.73205(10) 0.37057(9) 0.0250(2) Uani 1.00 1 d .
S(5) S 0.69116(10) 0.32828(9) 0.13507(9) 0.0261(2) Uani 1.00 1 d .
Na(1) Na 0.86055(15) 0.52783(15) 0.35093(13) 0.0269(4) Uani 1.00 1 d .
F(1) F 0.6788(2) 0.2626(2) 0.6234(2) 0.0326(7) Uani 1.00 1 d .
F(2) F 0.5946(2) 0.3441(2) 0.5423(2) 0.0349(7) Uani 1.00 1 d .
F(3) F 0.7018(2) 0.4291(2) 0.6874(2) 0.0368(8) Uani 1.00 1 d .
F(4) F 0.5659(3) 0.6107(2) 0.2293(2) 0.0643(11) Uani 1.00 1 d .
F(5) F 0.6951(3) 0.7531(3) 0.1910(2) 0.0681(13) Uani 1.00 1 d .
F(6) F 0.5675(2) 0.7701(2) 0.2951(2) 0.0448(9) Uani 1.00 1 d .
F(7) F 0.6763(4) 0.4915(3) 0.0682(3) 0.0913(17) Uani 1.00 1 d .
F(8) F 0.7810(3) 0.4120(3) -0.0156(2) 0.0727(13) Uani 1.00 1 d .
F(9) F 0.5840(3) 0.3328(3) -0.0345(2) 0.0818(15) Uani 1.00 1 d .
O(1) O 0.8277(3) 0.5036(2) 0.5133(2) 0.0350(9) Uani 1.00 1 d .
O(2) O 0.9310(2) 0.4287(2) 0.6181(2) 0.0282(8) Uani 1.00 1 d .
O(3) O 0.8182(2) 0.3185(2) 0.4536(2) 0.0355(9) Uani 1.00 1 d .
O(4) O 0.8232(3) 0.6725(2) 0.3232(2) 0.0407(10) Uani 1.00 1 d .
O(5) O 0.8198(3) 0.8484(2) 0.4014(2) 0.0444(10) Uani 1.00 1 d .
O(6) O 0.6769(3) 0.6842(3) 0.4430(2) 0.0434(11) Uani 1.00 1 d .
O(7) O 0.5780(3) 0.3158(3) 0.1768(2) 0.0552(13) Uani 1.00 1 d .
O(8) O 0.7009(3) 0.2290(2) 0.0814(2) 0.0479(11) Uani 1.00 1 d .
O(9) O 0.7996(3) 0.4034(2) 0.2005(2) 0.0427(10) Uani 1.00 1 d .
N(1) N 0.0113(3) 0.2045(2) 0.2502(2) 0.0188(9) Uani 1.00 1 d .
N(2) N 0.1711(2) 0.2438(2) 0.0784(2) 0.0158(8) Uani 1.00 1 d .
N(3) N 0.3333(3) 0.1897(2) 0.3008(2) 0.0168(8) Uani 1.00 1 d .
C(1) C 0.0156(4) 0.0768(3) 0.3598(3) 0.0224(11) Uani 1.00 1 d .
C(2) C 0.0409(3) 0.1947(3) 0.3554(3) 0.0225(11) Uani 1.00 1 d .
C(3) C -0.1236(3) 0.1430(3) 0.2163(3) 0.0274(12) Uani 1.00 1 d .
C(4) C 0.0399(4) 0.3238(3) 0.2579(3) 0.0276(12) Uani 1.00 1 d .
C(5) C 0.0527(4) 0.3564(3) 0.1571(3) 0.0309(13) Uani 1.00 1 d .
C(6) C 0.1720(4) 0.3557(3) 0.1182(3) 0.0261(12) Uani 1.00 1 d .
C(7) C 0.0976(4) 0.1978(3) -0.0235(3) 0.0253(12) Uani 1.00 1 d .
C(8) C 0.3011(3) 0.2563(3) 0.0683(3) 0.0215(11) Uani 1.00 1 d .
C(9) C 0.3137(3) 0.1474(3) 0.0305(3) 0.0217(11) Uani 1.00 1 d .
C(10) C 0.3824(3) 0.2812(3) 0.3328(3) 0.0210(11) Uani 1.00 1 d .
C(11) C 0.4425(4) 0.3998(3) 0.3718(3) 0.0329(13) Uani 1.00 1 d .
C(12) C 0.3587(3) 0.0005(3) 0.3815(3) 0.0190(10) Uani 1.00 1 d .
C(13) C 0.4458(3) 0.0232(3) 0.3080(3) 0.0164(10) Uani 1.00 1 d .
C(14) C 0.4151(3) -0.0406(3) 0.2068(3) 0.0210(11) Uani 1.00 1 d .
C(15) C 0.2966(3) -0.1263(3) 0.1804(3) 0.0210(10) Uani 1.00 1 d .
C(16) C 0.2102(3) -0.1527(3) 0.2494(3) 0.0175(10) Uani 1.00 1 d .
C(17) C 0.2410(3) -0.0880(3) 0.3508(3) 0.0162(10) Uani 1.00 1 d .
C(18) C 0.3946(4) 0.0717(3) 0.4869(3) 0.0253(12) Uani 1.00 1 d .
C(19) C 0.5695(3) 0.1183(3) 0.3382(3) 0.0282(12) Uani 1.00 1 d .
C(20) C 0.5028(4) -0.0225(3) 0.1289(3) 0.0299(12) Uani 1.00 1 d .
C(21) C 0.0888(4) -0.2480(3) 0.2153(3) 0.0291(12) Uani 1.00 1 d .
C(22) C 0.1495(3) -0.1111(3) 0.4269(3) 0.0256(12) Uani 1.00 1 d .
C(23) C 0.6952(3) 0.3585(3) 0.6022(3) 0.0241(11) Uani 1.00 1 d .
C(24) C 0.6402(4) 0.7161(4) 0.2659(3) 0.0335(14) Uani 1.00 1 d .
C(25) C 0.6831(6) 0.3952(4) 0.0337(4) 0.0490(19) Uani 1.00 1 d .
H(1) H 0.0640 0.0763 0.4171 0.030 Uiso 1.00 1 c R
H(2) H -0.0695 0.0399 0.3650 0.030 Uiso 1.00 1 c R
H(3) H 0.1258 0.2380 0.3778 0.029 Uiso 1.00 1 c R
H(4) H -0.0083 0.2212 0.3990 0.029 Uiso 1.00 1 c R
H(5) H -0.1388 0.0686 0.1864 0.035 Uiso 1.00 1 c R
H(6) H -0.1680 0.1468 0.2732 0.035 Uiso 1.00 1 c R
H(7) H -0.1498 0.1745 0.1680 0.035 Uiso 1.00 1 c R
H(8) H 0.1154 0.3651 0.3011 0.036 Uiso 1.00 1 c R
H(9) H -0.0248 0.3411 0.2871 0.036 Uiso 1.00 1 c R
H(10) H 0.0527 0.4281 0.1658 0.044 Uiso 1.00 1 c R
H(11) H -0.0152 0.3061 0.1090 0.044 Uiso 1.00 1 c R
H(12) H 0.2371 0.3932 0.1724 0.035 Uiso 1.00 1 c R
H(13) H 0.1869 0.3933 0.0651 0.035 Uiso 1.00 1 c R
H(14) H 0.090(3) 0.116(3) -0.057(3) 0.026(11) Uiso 1.00 1 c .
H(15) H 0.0187 0.2019 -0.0191 0.033 Uiso 1.00 1 c R
H(16) H 0.1391 0.2387 -0.0697 0.033 Uiso 1.00 1 c R
H(17) H 0.3489 0.2913 0.1327 0.026 Uiso 1.00 1 c R
H(18) H 0.3317 0.3007 0.0216 0.026 Uiso 1.00 1 c R
H(19) H 0.3951 0.1547 0.0515 0.030 Uiso 1.00 1 c R
H(20) H 0.2986 0.1270 -0.0415 0.030 Uiso 1.00 1 c R
H(21) H 0.4497 0.4168 0.4439 0.038 Uiso 1.00 1 c R
H(22) H 0.3946 0.4345 0.3464 0.038 Uiso 1.00 1 c R
H(23) H 0.5224 0.4250 0.3506 0.038 Uiso 1.00 1 c R
H(24) H 0.2744 -0.1686 0.1124 0.027 Uiso 1.00 1 c R
H(25) H 0.6152 0.1073 0.3911 0.034 Uiso 1.00 1 c R
H(26) H 0.5566 0.1844 0.3609 0.034 Uiso 1.00 1 c R
H(27) H 0.6142 0.1232 0.2812 0.034 Uiso 1.00 1 c R
H(28) H 0.5203 0.0480 0.1163 0.037 Uiso 1.00 1 c R
H(29) H 0.5773 -0.0271 0.1531 0.037 Uiso 1.00 1 c R
H(30) H 0.4666 -0.0769 0.0678 0.037 Uiso 1.00 1 c R
H(31) H 0.0408 -0.2543 0.2703 0.036 Uiso 1.00 1 c R
H(32) H 0.0456 -0.2367 0.1609 0.036 Uiso 1.00 1 c R
H(33) H 0.1031 -0.3135 0.1933 0.036 Uiso 1.00 1 c R
H(34) H 0.1849 -0.0607 0.4904 0.035 Uiso 1.00 1 c R
H(35) H 0.0766 -0.1035 0.4036 0.035 Uiso 1.00 1 c R
H(36) H 0.1297 -0.1837 0.4346 0.035 Uiso 1.00 1 c R
H(37) H 0.4759 0.1251 0.4924 0.034 Uiso 1.00 1 c R
H(38) H 0.3386 0.1072 0.5012 0.034 Uiso 1.00 1 c R
H(39) H 0.3918 0.0278 0.5339 0.034 Uiso 1.00 1 c R
H(40) H 0.2552 -0.2026 0.1515 0.028 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 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)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 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)
;
Ni Ni 0.339 1.112
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.259 0.836
;
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)
;
Na Na 0.036 0.025
;
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
S(1) Ru(1) S(2) 72.38(3) yes . .
S(1) Ru(1) N(3) 92.11(10) yes . .
S(1) Ru(1) C(12) 119.45(11) yes . .
S(1) Ru(1) C(13) 157.49(11) yes . .
S(1) Ru(1) C(14) 153.96(9) yes . .
S(1) Ru(1) C(15) 116.87(10) yes . .
S(1) Ru(1) C(16) 91.15(11) yes . .
S(1) Ru(1) C(17) 92.28(11) yes . .
S(2) Ru(1) N(3) 90.37(10) yes . .
S(2) Ru(1) C(12) 167.77(12) yes . .
S(2) Ru(1) C(13) 130.10(11) yes . .
S(2) Ru(1) C(14) 100.07(12) yes . .
S(2) Ru(1) C(15) 92.40(12) yes . .
S(2) Ru(1) C(16) 110.92(10) yes . .
S(2) Ru(1) C(17) 146.05(8) yes . .
N(3) Ru(1) C(12) 92.16(14) yes . .
N(3) Ru(1) C(13) 89.22(14) yes . .
N(3) Ru(1) C(14) 113.14(13) yes . .
N(3) Ru(1) C(15) 150.30(14) yes . .
N(3) Ru(1) C(16) 158.43(14) yes . .
N(3) Ru(1) C(17) 121.00(13) yes . .
C(12) Ru(1) C(13) 38.04(15) yes . .
C(12) Ru(1) C(14) 67.96(16) yes . .
C(12) Ru(1) C(15) 79.56(16) yes . .
C(12) Ru(1) C(16) 67.80(14) yes . .
C(12) Ru(1) C(17) 37.68(12) yes . .
C(13) Ru(1) C(14) 36.96(14) yes . .
C(13) Ru(1) C(15) 66.68(14) yes . .
C(13) Ru(1) C(16) 79.82(15) yes . .
C(13) Ru(1) C(17) 68.02(14) yes . .
C(14) Ru(1) C(15) 37.37(13) yes . .
C(14) Ru(1) C(16) 67.83(15) yes . .
C(14) Ru(1) C(17) 80.37(17) yes . .
C(15) Ru(1) C(16) 37.22(15) yes . .
C(15) Ru(1) C(17) 67.24(16) yes . .
C(16) Ru(1) C(17) 37.52(14) yes . .
S(1) Ni(1) S(2) 81.74(4) yes . .
S(1) Ni(1) N(1) 88.07(11) yes . .
S(1) Ni(1) N(2) 169.57(12) yes . .
S(2) Ni(1) N(1) 169.44(12) yes . .
S(2) Ni(1) N(2) 88.58(11) yes . .
N(1) Ni(1) N(2) 101.38(15) yes . .
Ru(1) S(1) Ni(1) 87.98(3) yes . .
Ru(1) S(1) C(1) 116.52(14) yes . .
Ni(1) S(1) C(1) 100.29(16) yes . .
Ru(1) S(2) Ni(1) 87.20(4) yes . .
Ru(1) S(2) C(9) 116.91(13) yes . .
Ni(1) S(2) C(9) 99.24(16) yes . .
O(1) S(3) O(2) 114.44(18) yes . .
O(1) S(3) O(3) 114.8(2) yes . .
O(1) S(3) C(23) 102.4(2) yes . .
O(2) S(3) O(3) 115.6(2) yes . .
O(2) S(3) C(23) 102.0(2) yes . .
O(3) S(3) C(23) 105.12(18) yes . .
O(4) S(4) O(5) 113.9(2) yes . .
O(4) S(4) O(6) 115.3(2) yes . .
O(4) S(4) C(24) 102.8(2) yes . .
O(5) S(4) O(6) 115.3(2) yes . .
O(5) S(4) C(24) 103.6(2) yes . .
O(6) S(4) C(24) 103.8(2) yes . .
O(7) S(5) O(8) 115.8(2) yes . .
O(7) S(5) O(9) 114.8(2) yes . .
O(7) S(5) C(25) 103.1(3) yes . .
O(8) S(5) O(9) 114.5(2) yes . .
O(8) S(5) C(25) 102.1(2) yes . .
O(9) S(5) C(25) 104.0(2) yes . .
O(1) Na(1) O(2) 92.77(13) yes . 2_766
O(1) Na(1) O(4) 112.02(15) yes . .
O(1) Na(1) O(9) 129.70(14) yes . .
O(2) Na(1) O(4) 110.74(13) yes 2_766 .
O(2) Na(1) O(9) 104.99(14) yes 2_766 .
O(4) Na(1) O(9) 104.91(16) yes . .
S(3) O(1) Na(1) 118.6(2) yes . .
S(3) O(2) Na(1) 142.8(2) yes . 2_766
S(4) O(4) Na(1) 133.3(2) yes . .
S(5) O(9) Na(1) 141.6(2) yes . .
Ni(1) N(1) C(2) 107.1(3) yes . .
Ni(1) N(1) C(3) 108.4(2) yes . .
Ni(1) N(1) C(4) 117.5(2) yes . .
C(2) N(1) C(3) 109.5(3) yes . .
C(2) N(1) C(4) 106.1(3) yes . .
C(3) N(1) C(4) 108.0(3) yes . .
Ni(1) N(2) C(6) 117.0(2) yes . .
Ni(1) N(2) C(7) 107.2(2) yes . .
Ni(1) N(2) C(8) 107.7(2) yes . .
C(6) N(2) C(7) 108.3(3) yes . .
C(6) N(2) C(8) 107.3(2) yes . .
C(7) N(2) C(8) 109.2(3) yes . .
Ru(1) N(3) C(10) 172.4(3) yes . .
S(1) C(1) C(2) 109.0(3) yes . .
N(1) C(2) C(1) 112.3(3) yes . .
N(1) C(4) C(5) 114.2(3) yes . .
C(4) C(5) C(6) 110.8(4) yes . .
N(2) C(6) C(5) 114.2(3) yes . .
N(2) C(8) C(9) 112.7(2) yes . .
S(2) C(9) C(8) 110.4(3) yes . .
N(3) C(10) C(11) 177.9(5) yes . .
Ru(1) C(12) C(13) 71.3(2) yes . .
Ru(1) C(12) C(17) 70.8(2) yes . .
Ru(1) C(12) C(18) 129.2(3) yes . .
C(13) C(12) C(17) 119.1(3) yes . .
C(13) C(12) C(18) 118.7(3) yes . .
C(17) C(12) C(18) 122.2(3) yes . .
Ru(1) C(13) C(12) 70.6(2) yes . .
Ru(1) C(13) C(14) 71.9(2) yes . .
Ru(1) C(13) C(19) 128.7(3) yes . .
C(12) C(13) C(14) 120.8(3) yes . .
C(12) C(13) C(19) 120.0(3) yes . .
C(14) C(13) C(19) 119.2(3) yes . .
Ru(1) C(14) C(13) 71.1(2) yes . .
Ru(1) C(14) C(15) 69.1(2) yes . .
Ru(1) C(14) C(20) 132.2(3) yes . .
C(13) C(14) C(15) 117.6(3) yes . .
C(13) C(14) C(20) 122.9(3) yes . .
C(15) C(14) C(20) 119.5(3) yes . .
Ru(1) C(15) C(14) 73.5(2) yes . .
Ru(1) C(15) C(16) 72.8(2) yes . .
C(14) C(15) C(16) 123.6(3) yes . .
Ru(1) C(16) C(15) 70.0(2) yes . .
Ru(1) C(16) C(17) 71.0(2) yes . .
Ru(1) C(16) C(21) 131.1(3) yes . .
C(15) C(16) C(17) 118.6(3) yes . .
C(15) C(16) C(21) 119.8(3) yes . .
C(17) C(16) C(21) 121.6(3) yes . .
Ru(1) C(17) C(12) 71.5(2) yes . .
Ru(1) C(17) C(16) 71.5(2) yes . .
Ru(1) C(17) C(22) 129.0(3) yes . .
C(12) C(17) C(16) 120.2(3) yes . .
C(12) C(17) C(22) 119.3(3) yes . .
C(16) C(17) C(22) 120.5(3) yes . .
S(3) C(23) F(1) 111.0(3) yes . .
S(3) C(23) F(2) 110.5(3) yes . .
S(3) C(23) F(3) 111.6(2) yes . .
F(1) C(23) F(2) 107.3(2) yes . .
F(1) C(23) F(3) 108.4(3) yes . .
F(2) C(23) F(3) 107.8(4) yes . .
S(4) C(24) F(4) 111.5(4) yes . .
S(4) C(24) F(5) 111.3(3) yes . .
S(4) C(24) F(6) 111.5(3) yes . .
F(4) C(24) F(5) 107.8(3) yes . .
F(4) C(24) F(6) 106.8(3) yes . .
F(5) C(24) F(6) 107.8(5) yes . .
S(5) C(25) F(7) 111.8(4) yes . .
S(5) C(25) F(8) 111.7(5) yes . .
S(5) C(25) F(9) 110.6(4) yes . .
F(7) C(25) F(8) 107.3(4) yes . .
F(7) C(25) F(9) 108.3(6) yes . .
F(8) C(25) F(9) 107.0(4) yes . .
S(1) C(1) H(1) 109.6 no . .
S(1) C(1) H(2) 109.6 no . .
C(2) C(1) H(1) 109.6 no . .
C(2) C(1) H(2) 109.6 no . .
H(1) C(1) H(2) 109.5 no . .
N(1) C(2) H(3) 108.8 no . .
N(1) C(2) H(4) 108.8 no . .
C(1) C(2) H(3) 108.8 no . .
C(1) C(2) H(4) 108.8 no . .
H(3) C(2) H(4) 109.5 no . .
N(1) C(3) H(5) 109.5 no . .
N(1) C(3) H(6) 109.4 no . .
N(1) C(3) H(7) 109.5 no . .
H(5) C(3) H(6) 109.5 no . .
H(5) C(3) H(7) 109.5 no . .
H(6) C(3) H(7) 109.5 no . .
N(1) C(4) H(8) 108.2 no . .
N(1) C(4) H(9) 108.3 no . .
C(5) C(4) H(8) 108.4 no . .
C(5) C(4) H(9) 108.3 no . .
H(8) C(4) H(9) 109.5 no . .
C(4) C(5) H(10) 109.1 no . .
C(4) C(5) H(11) 109.2 no . .
C(6) C(5) H(10) 109.1 no . .
C(6) C(5) H(11) 109.2 no . .
H(10) C(5) H(11) 109.5 no . .
N(2) C(6) H(12) 108.2 no . .
N(2) C(6) H(13) 108.3 no . .
C(5) C(6) H(12) 108.3 no . .
C(5) C(6) H(13) 108.3 no . .
H(12) C(6) H(13) 109.5 no . .
N(2) C(7) H(14) 113(2) no . .
N(2) C(7) H(15) 109.3 no . .
N(2) C(7) H(16) 109.6 no . .
H(14) C(7) H(15) 111.9 no . .
H(14) C(7) H(16) 103.2 no . .
H(15) C(7) H(16) 109.5 no . .
N(2) C(8) H(17) 108.6 no . .
N(2) C(8) H(18) 108.7 no . .
C(9) C(8) H(17) 108.7 no . .
C(9) C(8) H(18) 108.6 no . .
H(17) C(8) H(18) 109.5 no . .
S(2) C(9) H(19) 109.2 no . .
S(2) C(9) H(20) 109.2 no . .
C(8) C(9) H(19) 109.2 no . .
C(8) C(9) H(20) 109.2 no . .
H(19) C(9) H(20) 109.5 no . .
C(10) C(11) H(21) 109.5 no . .
C(10) C(11) H(22) 109.6 no . .
C(10) C(11) H(23) 109.4 no . .
H(21) C(11) H(22) 109.5 no . .
H(21) C(11) H(23) 109.5 no . .
H(22) C(11) H(23) 109.5 no . .
Ru(1) C(15) H(24) 128.2 no . .
Ru(1) C(15) H(40) 143.3 no . .
C(14) C(15) H(24) 118.3 no . .
C(14) C(15) H(40) 143.2 no . .
C(16) C(15) H(24) 118.0 no . .
C(16) C(15) H(40) 80.7 no . .
H(24) C(15) H(40) 47.1 no . .
C(12) C(18) H(37) 109.5 no . .
C(12) C(18) H(38) 109.4 no . .
C(12) C(18) H(39) 109.4 no . .
H(37) C(18) H(38) 109.5 no . .
H(37) C(18) H(39) 109.5 no . .
H(38) C(18) H(39) 109.5 no . .
C(13) C(19) H(25) 109.6 no . .
C(13) C(19) H(26) 109.4 no . .
C(13) C(19) H(27) 109.4 no . .
H(25) C(19) H(26) 109.5 no . .
H(25) C(19) H(27) 109.5 no . .
H(26) C(19) H(27) 109.5 no . .
C(14) C(20) H(28) 109.5 no . .
C(14) C(20) H(29) 109.4 no . .
C(14) C(20) H(30) 109.5 no . .
H(28) C(20) H(29) 109.5 no . .
H(28) C(20) H(30) 109.5 no . .
H(29) C(20) H(30) 109.5 no . .
C(16) C(21) H(31) 109.4 no . .
C(16) C(21) H(32) 109.5 no . .
C(16) C(21) H(33) 109.5 no . .
H(31) C(21) H(32) 109.5 no . .
H(31) C(21) H(33) 109.5 no . .
H(32) C(21) H(33) 109.5 no . .
C(17) C(22) H(34) 109.5 no . .
C(17) C(22) H(35) 109.5 no . .
C(17) C(22) H(36) 109.5 no . .
H(34) C(22) H(35) 109.5 no . .
H(34) C(22) H(36) 109.5 no . .
H(35) C(22) H(36) 109.5 no . .
C(15) H(24) H(40) 66.5 no . .
C(15) H(40) H(24) 66.5 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Ru(1) S(1) 2.4007(11) yes .
Ru(1) S(2) 2.4193(11) yes .
Ru(1) N(3) 2.057(3) yes .
Ru(1) C(12) 2.220(4) yes .
Ru(1) C(13) 2.229(4) yes .
Ru(1) C(14) 2.239(5) yes .
Ru(1) C(15) 2.181(4) yes .
Ru(1) C(16) 2.217(4) yes .
Ru(1) C(17) 2.210(4) yes .
Ni(1) S(1) 2.1681(12) yes .
Ni(1) S(2) 2.1814(13) yes .
Ni(1) N(1) 1.970(3) yes .
Ni(1) N(2) 1.977(3) yes .
S(1) C(1) 1.830(4) yes .
S(2) C(9) 1.831(4) yes .
S(3) O(1) 1.444(4) yes .
S(3) O(2) 1.442(3) yes .
S(3) O(3) 1.432(3) yes .
S(3) C(23) 1.832(4) yes .
S(4) O(4) 1.441(4) yes .
S(4) O(5) 1.435(3) yes .
S(4) O(6) 1.438(3) yes .
S(4) C(24) 1.822(5) yes .
S(5) O(7) 1.428(3) yes .
S(5) O(8) 1.434(4) yes .
S(5) O(9) 1.426(3) yes .
S(5) C(25) 1.812(7) yes .
Na(1) O(1) 2.319(3) yes .
Na(1) O(2) 2.295(3) yes 2_766
Na(1) O(4) 2.252(4) yes .
Na(1) O(9) 2.259(3) yes .
F(1) C(23) 1.331(5) yes .
F(2) C(23) 1.338(5) yes .
F(3) C(23) 1.318(5) yes .
F(4) C(24) 1.340(5) yes .
F(5) C(24) 1.311(6) yes .
F(6) C(24) 1.335(7) yes .
F(7) C(25) 1.321(8) yes .
F(8) C(25) 1.321(8) yes .
F(9) C(25) 1.340(6) yes .
N(1) C(2) 1.500(5) yes .
N(1) C(3) 1.492(4) yes .
N(1) C(4) 1.500(6) yes .
N(2) C(6) 1.492(6) yes .
N(2) C(7) 1.486(5) yes .
N(2) C(8) 1.486(5) yes .
N(3) C(10) 1.133(5) yes .
C(1) C(2) 1.523(6) yes .
C(4) C(5) 1.518(7) yes .
C(5) C(6) 1.517(7) yes .
C(8) C(9) 1.518(6) yes .
C(10) C(11) 1.461(5) yes .
C(12) C(13) 1.450(5) yes .
C(12) C(17) 1.431(4) yes .
C(12) C(18) 1.496(5) yes .
C(13) C(14) 1.417(5) yes .
C(13) C(19) 1.514(4) yes .
C(14) C(15) 1.417(4) yes .
C(14) C(20) 1.496(6) yes .
C(15) C(16) 1.404(6) yes .
C(16) C(17) 1.424(5) yes .
C(16) C(21) 1.502(4) yes .
C(17) C(22) 1.510(6) yes .
C(1) H(1) 0.950 no .
C(1) H(2) 0.950 no .
C(2) H(3) 0.950 no .
C(2) H(4) 0.950 no .
C(3) H(5) 0.950 no .
C(3) H(6) 0.950 no .
C(3) H(7) 0.950 no .
C(4) H(8) 0.950 no .
C(4) H(9) 0.950 no .
C(5) H(10) 0.950 no .
C(5) H(11) 0.950 no .
C(6) H(12) 0.950 no .
C(6) H(13) 0.950 no .
C(7) H(14) 1.07(4) no .
C(7) H(15) 0.950 no .
C(7) H(16) 0.950 no .
C(8) H(17) 0.950 no .
C(8) H(18) 0.950 no .
C(9) H(19) 0.950 no .
C(9) H(20) 0.950 no .
C(11) H(21) 0.950 no .
C(11) H(22) 0.950 no .
C(11) H(23) 0.950 no .
C(15) H(24) 0.950 no .
C(15) H(40) 0.950 no .
C(18) H(37) 0.950 no .
C(18) H(38) 0.950 no .
C(18) H(39) 0.950 no .
C(19) H(25) 0.950 no .
C(19) H(26) 0.950 no .
C(19) H(27) 0.950 no .
C(20) H(28) 0.950 no .
C(20) H(29) 0.950 no .
C(20) H(30) 0.950 no .
C(21) H(31) 0.950 no .
C(21) H(32) 0.950 no .
C(21) H(33) 0.950 no .
C(22) H(34) 0.950 no .
C(22) H(35) 0.950 no .
C(22) H(36) 0.950 no .
H(24) H(40) 0.759 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
S(1) C(7) 3.523(3) 2_555
F(1) F(6) 3.043(4) 2_666
F(1) C(12) 3.401(5) 2_656
F(1) C(15) 3.594(5) 2_656
F(1) C(16) 3.032(5) 2_656
F(1) C(17) 2.919(5) 2_656
F(1) C(18) 3.529(4) .
F(1) C(21) 3.522(5) 2_656
F(1) C(22) 3.356(6) 2_656
F(2) F(6) 3.226(4) 2_666
F(2) O(6) 3.084(4) 2_666
F(2) C(10) 3.455(5) .
F(2) C(11) 3.242(6) .
F(2) C(18) 3.461(4) .
F(2) C(19) 3.587(5) .
F(3) F(4) 3.270(4) 2_666
F(3) F(6) 3.365(3) 2_666
F(3) C(4) 3.498(4) 2_666
F(3) C(5) 3.470(4) 2_666
F(3) C(6) 3.316(4) 2_666
F(3) C(11) 3.521(6) 2_666
F(4) F(3) 3.270(4) 2_666
F(4) F(9) 3.485(6) 2_665
F(5) F(9) 3.502(5) 2_665
F(5) C(7) 3.370(5) 2_665
F(5) C(8) 3.497(5) 2_665
F(5) C(9) 3.549(6) 2_665
F(6) F(1) 3.043(4) 2_666
F(6) F(2) 3.226(4) 2_666
F(6) F(3) 3.365(3) 2_666
F(6) C(18) 3.182(4) 2_666
F(6) C(23) 3.438(5) 2_666
F(8) C(6) 3.560(6) 2_665
F(9) F(4) 3.485(6) 2_665
F(9) F(5) 3.502(5) 2_665
F(9) C(8) 3.526(6) .
F(9) C(9) 3.517(5) .
O(1) C(4) 3.390(4) 2_666
O(2) C(4) 3.306(5) 2_666
O(3) C(19) 3.224(4) .
O(4) C(21) 3.393(5) 1_665
O(5) C(1) 3.271(5) 1_665
O(5) C(1) 3.467(5) 2_666
O(5) C(18) 3.376(6) 2_666
O(6) F(2) 3.084(4) 2_666
O(6) N(3) 3.572(4) 2_666
O(6) C(10) 3.126(5) 2_666
O(6) C(11) 3.134(6) 2_666
O(7) N(3) 3.449(4) .
O(7) C(8) 3.258(5) .
O(7) C(9) 3.351(4) .
O(7) C(10) 3.153(5) .
O(7) C(11) 3.350(6) .
O(8) C(3) 3.363(7) 1_655
O(8) C(15) 3.544(5) 2_655
O(8) C(20) 3.542(5) .
O(8) C(20) 3.600(4) 2_655
O(9) C(4) 3.483(7) 1_655
O(9) C(5) 3.305(6) 1_655
N(3) O(6) 3.572(4) 2_666
N(3) O(7) 3.449(4) .
C(1) O(5) 3.271(5) 1_445
C(1) O(5) 3.467(5) 2_666
C(1) C(22) 3.587(6) 2_556
C(3) O(8) 3.363(7) 1_455
C(4) F(3) 3.498(4) 2_666
C(4) O(1) 3.390(4) 2_666
C(4) O(2) 3.306(5) 2_666
C(4) O(9) 3.483(7) 1_455
C(5) F(3) 3.470(4) 2_666
C(5) O(9) 3.305(6) 1_455
C(6) F(3) 3.316(4) 2_666
C(6) F(8) 3.560(6) 2_665
C(7) S(1) 3.523(3) 2_555
C(7) F(5) 3.370(5) 2_665
C(8) F(5) 3.497(5) 2_665
C(8) F(9) 3.526(6) .
C(8) O(7) 3.258(5) .
C(9) F(5) 3.549(6) 2_665
C(9) F(9) 3.517(5) .
C(9) O(7) 3.351(4) .
C(10) F(2) 3.455(5) .
C(10) O(6) 3.126(5) 2_666
C(10) O(7) 3.153(5) .
C(11) F(2) 3.242(6) .
C(11) F(3) 3.521(6) 2_666
C(11) O(6) 3.134(6) 2_666
C(11) O(7) 3.350(6) .
C(12) F(1) 3.401(5) 2_656
C(15) F(1) 3.594(5) 2_656
C(15) O(8) 3.544(5) 2_655
C(16) F(1) 3.032(5) 2_656
C(17) F(1) 2.919(5) 2_656
C(18) F(1) 3.529(4) .
C(18) F(2) 3.461(4) .
C(18) F(6) 3.182(4) 2_666
C(18) O(5) 3.376(6) 2_666
C(19) F(2) 3.587(5) .
C(19) O(3) 3.224(4) .
C(20) O(8) 3.542(5) .
C(20) O(8) 3.600(4) 2_655
C(21) F(1) 3.522(5) 2_656
C(21) O(4) 3.393(5) 1_445
C(22) F(1) 3.356(6) 2_656
C(22) C(1) 3.587(6) 2_556
C(23) F(6) 3.438(5) 2_666
Ni(1) H(14) 3.28(3) 2_555
S(1) H(14) 2.83(3) 2_555
S(1) H(15) 3.537 2_555
S(1) H(16) 3.558 2_555
S(2) H(5) 3.576 2_555
S(2) H(14) 3.27(3) 2_555
S(2) H(15) 3.262 2_555
S(3) H(8) 3.219 2_666
S(3) H(9) 3.589 2_666
S(3) H(36) 3.283 2_656
S(4) H(1) 3.468 2_666
S(4) H(3) 3.540 2_666
S(4) H(35) 3.586 1_665
S(4) H(38) 3.026 2_666
S(5) H(7) 3.342 1_655
S(5) H(11) 3.590 1_655
S(5) H(19) 3.386 .
S(5) H(28) 3.519 .
Na(1) H(9) 3.257 1_655
Na(1) H(31) 3.352 1_665
F(1) H(25) 3.294 .
F(1) H(26) 3.582 .
F(1) H(31) 3.593 2_656
F(1) H(33) 3.278 2_656
F(1) H(36) 2.889 2_656
F(1) H(37) 2.712 .
F(1) H(40) 3.450 2_656
F(2) H(21) 2.691 .
F(2) H(21) 3.424 2_666
F(2) H(22) 3.013 2_666
F(2) H(23) 3.221 .
F(2) H(25) 3.522 .
F(2) H(26) 2.818 .
F(2) H(37) 2.687 .
F(2) H(38) 3.410 .
F(3) H(8) 2.785 2_666
F(3) H(10) 3.146 2_666
F(3) H(12) 2.579 2_666
F(3) H(13) 3.578 2_666
F(3) H(22) 2.593 2_666
F(4) H(22) 3.238 .
F(4) H(23) 3.173 .
F(5) H(14) 3.34(4) 2_665
F(5) H(16) 2.579 2_665
F(5) H(18) 2.804 2_665
F(5) H(20) 2.832 2_665
F(6) H(37) 3.088 2_666
F(6) H(38) 2.855 2_666
F(6) H(39) 3.069 2_666
F(7) H(13) 2.792 2_665
F(7) H(16) 3.482 2_665
F(7) H(18) 3.311 2_665
F(8) H(10) 3.410 2_665
F(8) H(13) 2.743 2_665
F(8) H(24) 3.088 2_655
F(8) H(33) 3.113 2_655
F(8) H(40) 2.914 2_655
F(9) H(17) 3.594 .
F(9) H(18) 2.980 .
F(9) H(19) 3.078 .
F(9) H(20) 3.458 .
F(9) H(24) 3.267 2_655
F(9) H(30) 3.214 2_655
F(9) H(40) 3.269 2_655
O(1) H(3) 3.328 2_666
O(1) H(4) 3.451 2_666
O(1) H(8) 2.666 2_666
O(1) H(9) 3.274 2_666
O(1) H(22) 3.526 2_666
O(2) H(8) 3.027 2_666
O(2) H(9) 2.875 2_666
O(2) H(10) 3.120 2_666
O(2) H(31) 3.155 2_656
O(2) H(33) 3.223 2_656
O(2) H(36) 3.035 2_656
O(3) H(4) 2.844 1_655
O(3) H(6) 3.061 1_655
O(3) H(9) 2.960 1_655
O(3) H(25) 2.895 .
O(3) H(26) 2.995 .
O(3) H(27) 3.251 .
O(3) H(36) 2.806 2_656
O(4) H(31) 2.564 1_665
O(4) H(32) 3.512 1_665
O(4) H(35) 3.311 1_665
O(4) H(36) 3.499 1_665
O(5) H(1) 3.303 1_665
O(5) H(1) 2.581 2_666
O(5) H(2) 2.592 1_665
O(5) H(3) 3.549 2_666
O(5) H(34) 2.961 2_666
O(5) H(35) 2.835 1_665
O(5) H(38) 2.497 2_666
O(5) H(39) 3.514 2_666
O(6) H(3) 3.021 2_666
O(6) H(21) 2.441 2_666
O(6) H(22) 3.537 2_666
O(6) H(23) 3.234 .
O(6) H(38) 2.837 2_666
O(7) H(17) 2.616 .
O(7) H(18) 3.432 .
O(7) H(19) 2.646 .
O(7) H(23) 2.749 .
O(7) H(26) 3.317 .
O(7) H(27) 3.352 .
O(7) H(28) 3.337 .
O(8) H(6) 3.540 1_655
O(8) H(7) 2.480 1_655
O(8) H(11) 3.084 1_655
O(8) H(19) 3.334 .
O(8) H(24) 2.648 2_655
O(8) H(27) 3.340 .
O(8) H(28) 2.724 .
O(8) H(29) 3.578 .
O(8) H(30) 2.685 2_655
O(8) H(40) 3.190 2_655
O(9) H(7) 3.303 1_655
O(9) H(9) 2.800 1_655
O(9) H(10) 2.930 1_655
O(9) H(11) 3.100 1_655
C(1) H(34) 3.141 2_556
C(1) H(35) 3.418 2_556
C(2) H(36) 3.539 2_556
C(3) H(27) 3.162 1_455
C(3) H(29) 3.371 1_455
C(7) H(32) 2.721 2_555
C(9) H(29) 3.253 2_655
C(9) H(30) 3.296 2_655
C(11) H(21) 2.984 2_666
C(12) H(37) 3.599 2_656
C(12) H(39) 3.285 2_656
C(13) H(39) 3.160 2_656
C(18) H(25) 3.170 2_656
C(18) H(37) 3.564 2_656
C(18) H(39) 3.246 2_656
C(19) H(6) 3.142 1_655
C(19) H(39) 3.021 2_656
C(20) H(19) 3.257 2_655
C(20) H(20) 3.281 2_655
C(20) H(28) 3.265 2_655
C(20) H(30) 3.200 2_655
C(21) H(15) 3.177 2_555
C(21) H(16) 3.322 2_555
C(22) H(1) 3.439 2_556
C(22) H(2) 3.087 2_556
C(22) H(4) 3.233 2_556
C(23) H(8) 3.501 2_666
C(23) H(22) 3.290 2_666
C(23) H(26) 3.540 .
C(23) H(37) 3.254 .
C(24) H(38) 3.486 2_666
C(25) H(13) 3.285 2_665
C(25) H(24) 3.499 2_655
C(25) H(40) 3.526 2_655
H(1) S(4) 3.468 2_666
H(1) O(5) 3.303 1_445
H(1) O(5) 2.581 2_666
H(1) C(22) 3.439 2_556
H(1) H(1) 3.382 2_556
H(1) H(34) 3.173 2_556
H(1) H(35) 3.025 2_556
H(1) H(36) 3.589 2_556
H(2) O(5) 2.592 1_445
H(2) C(22) 3.087 2_556
H(2) H(34) 2.452 2_556
H(2) H(35) 3.095 2_556
H(2) H(36) 3.263 2_556
H(3) S(4) 3.540 2_666
H(3) O(1) 3.328 2_666
H(3) O(5) 3.549 2_666
H(3) O(6) 3.021 2_666
H(4) O(1) 3.451 2_666
H(4) O(3) 2.844 1_455
H(4) C(22) 3.233 2_556
H(4) H(34) 3.082 2_556
H(4) H(35) 3.365 2_556
H(4) H(36) 2.749 2_556
H(5) S(2) 3.576 2_555
H(5) H(14) 2.991 2_555
H(5) H(20) 2.882 2_555
H(5) H(27) 3.472 1_455
H(5) H(29) 3.074 1_455
H(6) O(3) 3.061 1_455
H(6) O(8) 3.540 1_455
H(6) C(19) 3.142 1_455
H(6) H(25) 2.994 1_455
H(6) H(27) 2.465 1_455
H(6) H(29) 3.162 1_455
H(7) S(5) 3.342 1_455
H(7) O(8) 2.480 1_455
H(7) O(9) 3.303 1_455
H(7) H(27) 3.137 1_455
H(7) H(28) 3.582 1_455
H(7) H(29) 3.318 1_455
H(8) S(3) 3.219 2_666
H(8) F(3) 2.785 2_666
H(8) O(1) 2.666 2_666
H(8) O(2) 3.027 2_666
H(8) C(23) 3.501 2_666
H(9) S(3) 3.589 2_666
H(9) Na(1) 3.257 1_455
H(9) O(1) 3.274 2_666
H(9) O(2) 2.875 2_666
H(9) O(3) 2.960 1_455
H(9) O(9) 2.800 1_455
H(10) F(3) 3.146 2_666
H(10) F(8) 3.410 2_665
H(10) O(2) 3.120 2_666
H(10) O(9) 2.930 1_455
H(10) H(33) 3.256 1_565
H(11) S(5) 3.590 1_455
H(11) O(8) 3.084 1_455
H(11) O(9) 3.100 1_455
H(11) H(32) 3.560 2_555
H(12) F(3) 2.579 2_666
H(13) F(3) 3.578 2_666
H(13) F(7) 2.792 2_665
H(13) F(8) 2.743 2_665
H(13) C(25) 3.285 2_665
H(14) Ni(1) 3.28(3) 2_555
H(14) S(1) 2.83(3) 2_555
H(14) S(2) 3.27(3) 2_555
H(14) F(5) 3.34(4) 2_665
H(14) H(5) 2.991 2_555
H(14) H(32) 3.141 2_555
H(15) S(1) 3.537 2_555
H(15) S(2) 3.262 2_555
H(15) C(21) 3.177 2_555
H(15) H(24) 3.456 2_555
H(15) H(32) 2.242 2_555
H(15) H(33) 3.566 2_555
H(16) S(1) 3.558 2_555
H(16) F(5) 2.579 2_665
H(16) F(7) 3.482 2_665
H(16) C(21) 3.322 2_555
H(16) H(31) 3.472 2_555
H(16) H(32) 2.445 2_555
H(17) F(9) 3.594 .
H(17) O(7) 2.616 .
H(18) F(5) 2.804 2_665
H(18) F(7) 3.311 2_665
H(18) F(9) 2.980 .
H(18) O(7) 3.432 .
H(19) S(5) 3.386 .
H(19) F(9) 3.078 .
H(19) O(7) 2.646 .
H(19) O(8) 3.334 .
H(19) C(20) 3.257 2_655
H(19) H(29) 3.049 2_655
H(19) H(30) 2.665 2_655
H(20) F(5) 2.832 2_665
H(20) F(9) 3.458 .
H(20) C(20) 3.281 2_655
H(20) H(5) 2.882 2_555
H(20) H(29) 2.647 2_655
H(20) H(30) 3.085 2_655
H(21) F(2) 2.691 .
H(21) F(2) 3.424 2_666
H(21) O(6) 2.441 2_666
H(21) C(11) 2.984 2_666
H(21) H(21) 2.296 2_666
H(21) H(22) 3.168 2_666
H(21) H(23) 3.069 2_666
H(22) F(2) 3.013 2_666
H(22) F(3) 2.593 2_666
H(22) F(4) 3.238 .
H(22) O(1) 3.526 2_666
H(22) O(6) 3.537 2_666
H(22) C(23) 3.290 2_666
H(22) H(21) 3.168 2_666
H(23) F(2) 3.221 .
H(23) F(4) 3.173 .
H(23) O(6) 3.234 .
H(23) O(7) 2.749 .
H(23) H(21) 3.069 2_666
H(24) F(8) 3.088 2_655
H(24) F(9) 3.267 2_655
H(24) O(8) 2.648 2_655
H(24) C(25) 3.499 2_655
H(24) H(15) 3.456 2_555
H(25) F(1) 3.294 .
H(25) F(2) 3.522 .
H(25) O(3) 2.895 .
H(25) C(18) 3.170 2_656
H(25) H(6) 2.994 1_655
H(25) H(34) 3.116 2_656
H(25) H(36) 3.438 2_656
H(25) H(39) 2.242 2_656
H(26) F(1) 3.582 .
H(26) F(2) 2.818 .
H(26) O(3) 2.995 .
H(26) O(7) 3.317 .
H(26) C(23) 3.540 .
H(27) O(3) 3.251 .
H(27) O(7) 3.352 .
H(27) O(8) 3.340 .
H(27) C(3) 3.162 1_655
H(27) H(5) 3.472 1_655
H(27) H(6) 2.465 1_655
H(27) H(7) 3.137 1_655
H(27) H(39) 3.532 2_656
H(28) S(5) 3.519 .
H(28) O(7) 3.337 .
H(28) O(8) 2.724 .
H(28) C(20) 3.265 2_655
H(28) H(7) 3.582 1_655
H(28) H(28) 3.104 2_655
H(28) H(30) 2.608 2_655
H(29) O(8) 3.578 .
H(29) C(3) 3.371 1_655
H(29) C(9) 3.253 2_655
H(29) H(5) 3.074 1_655
H(29) H(6) 3.162 1_655
H(29) H(7) 3.318 1_655
H(29) H(19) 3.049 2_655
H(29) H(20) 2.647 2_655
H(30) F(9) 3.214 2_655
H(30) O(8) 2.685 2_655
H(30) C(9) 3.296 2_655
H(30) C(20) 3.200 2_655
H(30) H(19) 2.665 2_655
H(30) H(20) 3.085 2_655
H(30) H(28) 2.608 2_655
H(30) H(30) 2.964 2_655
H(31) Na(1) 3.352 1_445
H(31) F(1) 3.593 2_656
H(31) O(2) 3.155 2_656
H(31) O(4) 2.564 1_445
H(31) H(16) 3.472 2_555
H(32) O(4) 3.512 1_445
H(32) C(7) 2.721 2_555
H(32) H(11) 3.560 2_555
H(32) H(14) 3.141 2_555
H(32) H(15) 2.242 2_555
H(32) H(16) 2.445 2_555
H(33) F(1) 3.278 2_656
H(33) F(8) 3.113 2_655
H(33) O(2) 3.223 2_656
H(33) H(10) 3.256 1_545
H(33) H(15) 3.566 2_555
H(34) O(5) 2.961 2_666
H(34) C(1) 3.141 2_556
H(34) H(1) 3.173 2_556
H(34) H(2) 2.452 2_556
H(34) H(4) 3.082 2_556
H(34) H(25) 3.116 2_656
H(35) S(4) 3.586 1_445
H(35) O(4) 3.311 1_445
H(35) O(5) 2.835 1_445
H(35) C(1) 3.418 2_556
H(35) H(1) 3.025 2_556
H(35) H(2) 3.095 2_556
H(35) H(4) 3.365 2_556
H(36) S(3) 3.283 2_656
H(36) F(1) 2.889 2_656
H(36) O(2) 3.035 2_656
H(36) O(3) 2.806 2_656
H(36) O(4) 3.499 1_445
H(36) C(2) 3.539 2_556
H(36) H(1) 3.589 2_556
H(36) H(2) 3.263 2_556
H(36) H(4) 2.749 2_556
H(36) H(25) 3.438 2_656
H(37) F(1) 2.712 .
H(37) F(2) 2.687 .
H(37) F(6) 3.088 2_666
H(37) C(12) 3.599 2_656
H(37) C(18) 3.564 2_656
H(37) C(23) 3.254 .
H(37) H(39) 2.983 2_656
H(38) S(4) 3.026 2_666
H(38) F(2) 3.410 .
H(38) F(6) 2.855 2_666
H(38) O(5) 2.497 2_666
H(38) O(6) 2.837 2_666
H(38) C(24) 3.486 2_666
H(39) F(6) 3.069 2_666
H(39) O(5) 3.514 2_666
H(39) C(12) 3.285 2_656
H(39) C(13) 3.160 2_656
H(39) C(18) 3.246 2_656
H(39) C(19) 3.021 2_656
H(39) H(25) 2.242 2_656
H(39) H(27) 3.532 2_656
H(39) H(37) 2.983 2_656
H(39) H(39) 3.023 2_656
H(40) F(1) 3.450 2_656
H(40) F(8) 2.914 2_655
H(40) F(9) 3.269 2_655
H(40) O(8) 3.190 2_655
H(40) C(25) 3.526 2_655
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_3
_geom_torsion_site_symmetry_4
S(1) Ru(1) S(2) Ni(1) 38.55(3) . . .
S(1) Ru(1) S(2) C(9) 137.49(18) . . .
S(2) Ru(1) S(1) Ni(1) -38.80(3) . . .
S(2) Ru(1) S(1) C(1) -139.30(18) . . .
S(1) Ru(1) N(3) C(10) 167(2) . . .
N(3) Ru(1) S(1) Ni(1) 50.92(10) . . .
N(3) Ru(1) S(1) C(1) -49.6(2) . . .
S(1) Ru(1) C(12) C(13) -179.62(18) . . .
S(1) Ru(1) C(12) C(17) 49.0(2) . . .
S(1) Ru(1) C(12) C(18) -67.4(3) . . .
C(12) Ru(1) S(1) Ni(1) 144.59(12) . . .
C(12) Ru(1) S(1) C(1) 44.1(2) . . .
S(1) Ru(1) C(13) C(12) 0.9(4) . . .
S(1) Ru(1) C(13) C(14) 134.2(2) . . .
S(1) Ru(1) C(13) C(19) -112.5(3) . . .
C(13) Ru(1) S(1) Ni(1) 144.0(2) . . .
C(13) Ru(1) S(1) C(1) 43.5(3) . . .
S(1) Ru(1) C(14) C(13) -141.3(2) . . .
S(1) Ru(1) C(14) C(15) -10.3(4) . . .
S(1) Ru(1) C(14) C(20) 101.1(3) . . .
C(14) Ru(1) S(1) Ni(1) -115.4(2) . . .
C(14) Ru(1) S(1) C(1) 144.1(3) . . .
S(1) Ru(1) C(15) C(14) 174.9(2) . . .
S(1) Ru(1) C(15) C(16) -51.0(2) . . .
C(15) Ru(1) S(1) Ni(1) -122.38(13) . . .
C(15) Ru(1) S(1) C(1) 137.1(2) . . .
S(1) Ru(1) C(16) C(15) 136.1(2) . . .
S(1) Ru(1) C(16) C(17) -92.2(2) . . .
S(1) Ru(1) C(16) C(21) 23.5(3) . . .
C(16) Ru(1) S(1) Ni(1) -150.41(10) . . .
C(16) Ru(1) S(1) C(1) 109.1(2) . . .
S(1) Ru(1) C(17) C(12) -138.9(2) . . .
S(1) Ru(1) C(17) C(16) 88.9(2) . . .
S(1) Ru(1) C(17) C(22) -25.8(2) . . .
C(17) Ru(1) S(1) Ni(1) 172.07(9) . . .
C(17) Ru(1) S(1) C(1) 71.6(2) . . .
S(2) Ru(1) N(3) C(10) -121(2) . . .
N(3) Ru(1) S(2) Ni(1) -53.55(10) . . .
N(3) Ru(1) S(2) C(9) 45.4(2) . . .
S(2) Ru(1) C(12) C(13) 15.8(6) . . .
S(2) Ru(1) C(12) C(17) -115.6(4) . . .
S(2) Ru(1) C(12) C(18) 128.1(4) . . .
C(12) Ru(1) S(2) Ni(1) -155.5(4) . . .
C(12) Ru(1) S(2) C(9) -56.6(5) . . .
S(2) Ru(1) C(13) C(12) -175.67(17) . . .
S(2) Ru(1) C(13) C(14) -42.4(2) . . .
S(2) Ru(1) C(13) C(19) 71.0(3) . . .
C(13) Ru(1) S(2) Ni(1) -142.84(13) . . .
C(13) Ru(1) S(2) C(9) -43.9(2) . . .
S(2) Ru(1) C(14) C(13) 148.4(2) . . .
S(2) Ru(1) C(14) C(15) -80.6(2) . . .
S(2) Ru(1) C(14) C(20) 30.8(3) . . .
C(14) Ru(1) S(2) Ni(1) -167.15(9) . . .
C(14) Ru(1) S(2) C(9) -68.2(2) . . .
S(2) Ru(1) C(15) C(14) 103.5(2) . . .
S(2) Ru(1) C(15) C(16) -122.4(2) . . .
C(15) Ru(1) S(2) Ni(1) 156.03(10) . . .
C(15) Ru(1) S(2) C(9) -105.0(2) . . .
S(2) Ru(1) C(16) C(15) 64.6(2) . . .
S(2) Ru(1) C(16) C(17) -163.8(2) . . .
S(2) Ru(1) C(16) C(21) -48.0(4) . . .
C(16) Ru(1) S(2) Ni(1) 122.88(12) . . .
C(16) Ru(1) S(2) C(9) -138.2(2) . . .
S(2) Ru(1) C(17) C(12) 160.0(2) . . .
S(2) Ru(1) C(17) C(16) 27.8(3) . . .
S(2) Ru(1) C(17) C(22) -86.9(3) . . .
C(17) Ru(1) S(2) Ni(1) 105.2(2) . . .
C(17) Ru(1) S(2) C(9) -155.9(2) . . .
N(3) Ru(1) C(12) C(13) -86.0(2) . . .
N(3) Ru(1) C(12) C(17) 142.6(2) . . .
N(3) Ru(1) C(12) C(18) 26.3(3) . . .
C(12) Ru(1) N(3) C(10) 47(2) . . .
N(3) Ru(1) C(13) C(12) 94.5(2) . . .
N(3) Ru(1) C(13) C(14) -132.2(2) . . .
N(3) Ru(1) C(13) C(19) -18.9(3) . . .
C(13) Ru(1) N(3) C(10) 9(2) . . .
N(3) Ru(1) C(14) C(13) 53.7(2) . . .
N(3) Ru(1) C(14) C(15) -175.4(2) . . .
N(3) Ru(1) C(14) C(20) -64.0(3) . . .
C(14) Ru(1) N(3) C(10) -20(2) . . .
N(3) Ru(1) C(15) C(14) 8.5(4) . . .
N(3) Ru(1) C(15) C(16) 142.7(2) . . .
C(15) Ru(1) N(3) C(10) -25(2) . . .
N(3) Ru(1) C(16) C(15) -125.2(4) . . .
N(3) Ru(1) C(16) C(17) 6.5(5) . . .
N(3) Ru(1) C(16) C(21) 122.2(4) . . .
C(16) Ru(1) N(3) C(10) 68(2) . . .
N(3) Ru(1) C(17) C(12) -45.1(3) . . .
N(3) Ru(1) C(17) C(16) -177.2(2) . . .
N(3) Ru(1) C(17) C(22) 68.1(3) . . .
C(17) Ru(1) N(3) C(10) 73(2) . . .
C(12) Ru(1) C(13) C(14) 133.3(3) . . .
C(12) Ru(1) C(13) C(19) -113.4(4) . . .
C(13) Ru(1) C(12) C(17) -131.4(3) . . .
C(13) Ru(1) C(12) C(18) 112.3(4) . . .
C(12) Ru(1) C(14) C(13) -28.9(2) . . .
C(12) Ru(1) C(14) C(15) 102.0(2) . . .
C(12) Ru(1) C(14) C(20) -146.6(3) . . .
C(14) Ru(1) C(12) C(13) 28.2(2) . . .
C(14) Ru(1) C(12) C(17) -103.2(2) . . .
C(14) Ru(1) C(12) C(18) 140.4(3) . . .
C(12) Ru(1) C(15) C(14) -67.2(2) . . .
C(12) Ru(1) C(15) C(16) 66.9(2) . . .
C(15) Ru(1) C(12) C(13) 65.3(2) . . .
C(15) Ru(1) C(12) C(17) -66.1(2) . . .
C(15) Ru(1) C(12) C(18) 177.6(3) . . .
C(12) Ru(1) C(16) C(15) -102.3(2) . . .
C(12) Ru(1) C(16) C(17) 29.3(2) . . .
C(12) Ru(1) C(16) C(21) 145.1(4) . . .
C(16) Ru(1) C(12) C(13) 102.2(2) . . .
C(16) Ru(1) C(12) C(17) -29.2(2) . . .
C(16) Ru(1) C(12) C(18) -145.5(3) . . .
C(12) Ru(1) C(17) C(16) -132.2(3) . . .
C(12) Ru(1) C(17) C(22) 113.1(4) . . .
C(17) Ru(1) C(12) C(13) 131.4(3) . . .
C(17) Ru(1) C(12) C(18) -116.3(4) . . .
C(13) Ru(1) C(14) C(15) 130.9(3) . . .
C(13) Ru(1) C(14) C(20) -117.7(4) . . .
C(14) Ru(1) C(13) C(12) -133.3(3) . . .
C(14) Ru(1) C(13) C(19) 113.3(4) . . .
C(13) Ru(1) C(15) C(14) -29.7(2) . . .
C(13) Ru(1) C(15) C(16) 104.5(2) . . .
C(15) Ru(1) C(13) C(12) -103.3(2) . . .
C(15) Ru(1) C(13) C(14) 30.0(2) . . .
C(15) Ru(1) C(13) C(19) 143.3(4) . . .
C(13) Ru(1) C(16) C(15) -64.6(2) . . .
C(13) Ru(1) C(16) C(17) 67.0(2) . . .
C(13) Ru(1) C(16) C(21) -177.2(4) . . .
C(16) Ru(1) C(13) C(12) -66.8(2) . . .
C(16) Ru(1) C(13) C(14) 66.5(2) . . .
C(16) Ru(1) C(13) C(19) 179.8(3) . . .
C(13) Ru(1) C(17) C(12) 29.9(2) . . .
C(13) Ru(1) C(17) C(16) -102.3(2) . . .
C(13) Ru(1) C(17) C(22) 143.0(3) . . .
C(17) Ru(1) C(13) C(12) -29.6(2) . . .
C(17) Ru(1) C(13) C(14) 103.7(2) . . .
C(17) Ru(1) C(13) C(19) -143.0(3) . . .
C(14) Ru(1) C(15) C(16) 134.1(3) . . .
C(15) Ru(1) C(14) C(13) -130.9(3) . . .
C(15) Ru(1) C(14) C(20) 111.4(4) . . .
C(14) Ru(1) C(16) C(15) -28.1(2) . . .
C(14) Ru(1) C(16) C(17) 103.5(2) . . .
C(14) Ru(1) C(16) C(21) -140.7(4) . . .
C(16) Ru(1) C(14) C(13) -103.0(2) . . .
C(16) Ru(1) C(14) C(15) 28.0(2) . . .
C(16) Ru(1) C(14) C(20) 139.4(3) . . .
C(14) Ru(1) C(17) C(12) 66.2(2) . . .
C(14) Ru(1) C(17) C(16) -65.9(2) . . .
C(14) Ru(1) C(17) C(22) 179.4(3) . . .
C(17) Ru(1) C(14) C(13) -66.0(2) . . .
C(17) Ru(1) C(14) C(15) 64.9(2) . . .
C(17) Ru(1) C(14) C(20) 176.3(3) . . .
C(15) Ru(1) C(16) C(17) 131.6(3) . . .
C(15) Ru(1) C(16) C(21) -112.6(4) . . .
C(16) Ru(1) C(15) C(14) -134.1(3) . . .
C(15) Ru(1) C(17) C(12) 102.8(2) . . .
C(15) Ru(1) C(17) C(16) -29.4(2) . . .
C(15) Ru(1) C(17) C(22) -144.1(3) . . .
C(17) Ru(1) C(15) C(14) -104.5(2) . . .
C(17) Ru(1) C(15) C(16) 29.6(2) . . .
C(16) Ru(1) C(17) C(12) 132.2(3) . . .
C(16) Ru(1) C(17) C(22) -114.7(3) . . .
C(17) Ru(1) C(16) C(15) -131.6(3) . . .
C(17) Ru(1) C(16) C(21) 115.8(5) . . .
S(1) Ni(1) S(2) Ru(1) -41.65(3) . . .
S(1) Ni(1) S(2) C(9) -158.46(13) . . .
S(2) Ni(1) S(1) Ru(1) 42.01(3) . . .
S(2) Ni(1) S(1) C(1) 158.61(14) . . .
S(1) Ni(1) N(1) C(2) 40.4(2) . . .
S(1) Ni(1) N(1) C(3) -77.7(2) . . .
S(1) Ni(1) N(1) C(4) 159.6(2) . . .
N(1) Ni(1) S(1) Ru(1) -135.22(9) . . .
N(1) Ni(1) S(1) C(1) -18.62(16) . . .
S(1) Ni(1) N(2) C(6) -137.9(4) . . .
S(1) Ni(1) N(2) C(7) 100.3(5) . . .
S(1) Ni(1) N(2) C(8) -17.1(6) . . .
N(2) Ni(1) S(1) Ru(1) 20.0(4) . . .
N(2) Ni(1) S(1) C(1) 136.6(4) . . .
S(2) Ni(1) N(1) C(2) 25.3(5) . . .
S(2) Ni(1) N(1) C(3) -92.8(5) . . .
S(2) Ni(1) N(1) C(4) 144.5(4) . . .
N(1) Ni(1) S(2) Ru(1) -26.4(4) . . .
N(1) Ni(1) S(2) C(9) -143.2(4) . . .
S(2) Ni(1) N(2) C(6) -159.8(2) . . .
S(2) Ni(1) N(2) C(7) 78.5(2) . . .
S(2) Ni(1) N(2) C(8) -38.9(2) . . .
N(2) Ni(1) S(2) Ru(1) 134.45(8) . . .
N(2) Ni(1) S(2) C(9) 17.64(15) . . .
N(1) Ni(1) N(2) C(6) 16.7(2) . . .
N(1) Ni(1) N(2) C(7) -105.1(3) . . .
N(1) Ni(1) N(2) C(8) 137.6(2) . . .
N(2) Ni(1) N(1) C(2) -135.2(2) . . .
N(2) Ni(1) N(1) C(3) 106.8(3) . . .
N(2) Ni(1) N(1) C(4) -16.0(3) . . .
Ru(1) S(1) C(1) C(2) 88.0(3) . . .
Ni(1) S(1) C(1) C(2) -4.9(3) . . .
Ru(1) S(2) C(9) C(8) -86.7(3) . . .
Ni(1) S(2) C(9) C(8) 4.8(2) . . .
O(1) S(3) O(2) Na(1) -79.3(3) . . 2_766
O(2) S(3) O(1) Na(1) 117.0(2) . . .
O(3) S(3) O(1) Na(1) -20.1(2) . . .
O(1) S(3) C(23) F(1) 174.2(2) . . .
O(1) S(3) C(23) F(2) 55.2(3) . . .
O(1) S(3) C(23) F(3) -64.7(3) . . .
C(23) S(3) O(1) Na(1) -133.47(19) . . .
O(3) S(3) O(2) Na(1) 57.6(4) . . 2_766
O(2) S(3) C(23) F(1) -67.1(3) . . .
O(2) S(3) C(23) F(2) 173.9(3) . . .
O(2) S(3) C(23) F(3) 54.0(4) . . .
C(23) S(3) O(2) Na(1) 171.0(3) . . 2_766
O(3) S(3) C(23) F(1) 53.9(3) . . .
O(3) S(3) C(23) F(2) -65.1(3) . . .
O(3) S(3) C(23) F(3) 175.0(3) . . .
O(5) S(4) O(4) Na(1) 127.9(2) . . .
O(6) S(4) O(4) Na(1) -8.6(3) . . .
O(4) S(4) C(24) F(4) 62.9(4) . . .
O(4) S(4) C(24) F(5) -57.5(4) . . .
O(4) S(4) C(24) F(6) -177.9(3) . . .
C(24) S(4) O(4) Na(1) -120.8(2) . . .
O(5) S(4) C(24) F(4) -178.3(3) . . .
O(5) S(4) C(24) F(5) 61.3(4) . . .
O(5) S(4) C(24) F(6) -59.1(3) . . .
O(6) S(4) C(24) F(4) -57.5(4) . . .
O(6) S(4) C(24) F(5) -177.9(4) . . .
O(6) S(4) C(24) F(6) 61.7(4) . . .
O(7) S(5) O(9) Na(1) -7.3(5) . . .
O(7) S(5) C(25) F(7) 60.9(4) . . .
O(7) S(5) C(25) F(8) -178.9(3) . . .
O(7) S(5) C(25) F(9) -59.9(5) . . .
O(8) S(5) O(9) Na(1) -144.8(3) . . .
O(8) S(5) C(25) F(7) -178.6(4) . . .
O(8) S(5) C(25) F(8) -58.4(3) . . .
O(8) S(5) C(25) F(9) 60.6(5) . . .
O(9) S(5) C(25) F(7) -59.2(5) . . .
O(9) S(5) C(25) F(8) 61.0(4) . . .
O(9) S(5) C(25) F(9) 180.0(4) . . .
C(25) S(5) O(9) Na(1) 104.6(4) . . .
O(1) Na(1) O(2) S(3) -6.9(3) . 2_766 2_766
O(2) Na(1) O(1) S(3) -73.4(2) 2_766 . .
O(1) Na(1) O(4) S(4) -21.0(2) . . .
O(4) Na(1) O(1) S(3) 172.87(18) . . .
O(1) Na(1) O(9) S(5) 63.3(5) . . .
O(9) Na(1) O(1) S(3) 38.7(3) . . .
O(2) Na(1) O(4) S(4) -123.1(2) 2_766 . .
O(4) Na(1) O(2) S(3) 107.9(3) . 2_766 2_766
O(2) Na(1) O(9) S(5) 170.0(4) 2_766 . .
O(9) Na(1) O(2) S(3) -139.4(3) . 2_766 2_766
O(4) Na(1) O(9) S(5) -73.2(4) . . .
O(9) Na(1) O(4) S(4) 124.2(2) . . .
Ni(1) N(1) C(2) C(1) -54.0(3) . . .
Ni(1) N(1) C(4) C(5) 43.2(4) . . .
C(3) N(1) C(2) C(1) 63.3(4) . . .
C(2) N(1) C(4) C(5) 162.9(3) . . .
C(4) N(1) C(2) C(1) 179.7(3) . . .
C(3) N(1) C(4) C(5) -79.8(4) . . .
Ni(1) N(2) C(6) C(5) -44.8(4) . . .
Ni(1) N(2) C(8) C(9) 51.8(3) . . .
C(7) N(2) C(6) C(5) 76.4(4) . . .
C(6) N(2) C(8) C(9) 178.6(3) . . .
C(8) N(2) C(6) C(5) -165.9(3) . . .
C(7) N(2) C(8) C(9) -64.3(4) . . .
Ru(1) N(3) C(10) C(11) 151(10) . . .
S(1) C(1) C(2) N(1) 36.7(4) . . .
N(1) C(4) C(5) C(6) -72.4(4) . . .
C(4) C(5) C(6) N(2) 73.5(4) . . .
N(2) C(8) C(9) S(2) -35.6(4) . . .
Ru(1) C(12) C(13) C(14) -53.6(4) . . .
Ru(1) C(12) C(13) C(19) 124.2(4) . . .
Ru(1) C(12) C(17) C(16) 54.4(4) . . .
Ru(1) C(12) C(17) C(22) -125.0(4) . . .
C(13) C(12) C(17) Ru(1) -54.4(4) . . .
C(13) C(12) C(17) C(16) 0.0(7) . . .
C(13) C(12) C(17) C(22) -179.5(4) . . .
C(17) C(12) C(13) Ru(1) 54.2(4) . . .
C(17) C(12) C(13) C(14) 0.5(7) . . .
C(17) C(12) C(13) C(19) 178.3(4) . . .
C(18) C(12) C(13) Ru(1) -125.1(4) . . .
C(18) C(12) C(13) C(14) -178.7(4) . . .
C(18) C(12) C(13) C(19) -0.9(7) . . .
C(18) C(12) C(17) Ru(1) 124.8(4) . . .
C(18) C(12) C(17) C(16) 179.2(4) . . .
C(18) C(12) C(17) C(22) -0.2(6) . . .
Ru(1) C(13) C(14) C(15) -52.8(4) . . .
Ru(1) C(13) C(14) C(20) 128.6(5) . . .
C(12) C(13) C(14) Ru(1) 53.1(4) . . .
C(12) C(13) C(14) C(15) 0.3(6) . . .
C(12) C(13) C(14) C(20) -178.4(4) . . .
C(19) C(13) C(14) Ru(1) -124.8(4) . . .
C(19) C(13) C(14) C(15) -177.6(4) . . .
C(19) C(13) C(14) C(20) 3.8(7) . . .
Ru(1) C(14) C(15) C(16) -55.4(4) . . .
C(13) C(14) C(15) Ru(1) 53.8(4) . . .
C(13) C(14) C(15) C(16) -1.6(7) . . .
C(20) C(14) C(15) Ru(1) -127.5(4) . . .
C(20) C(14) C(15) C(16) 177.0(5) . . .
Ru(1) C(15) C(16) C(17) -53.6(4) . . .
Ru(1) C(15) C(16) C(21) 126.7(4) . . .
C(14) C(15) C(16) Ru(1) 55.8(4) . . .
C(14) C(15) C(16) C(17) 2.2(7) . . .
C(14) C(15) C(16) C(21) -177.5(4) . . .
Ru(1) C(16) C(17) C(12) -54.4(4) . . .
Ru(1) C(16) C(17) C(22) 125.0(4) . . .
C(15) C(16) C(17) Ru(1) 53.2(4) . . .
C(15) C(16) C(17) C(12) -1.3(7) . . .
C(15) C(16) C(17) C(22) 178.2(4) . . .
C(21) C(16) C(17) Ru(1) -127.2(4) . . .
C(21) C(16) C(17) C(12) 178.4(4) . . .
C(21) C(16) C(17) C(22) -2.2(7) . . .
