#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:02:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179167 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/28/4312855.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_4312855
loop_
_publ_author_name
'Richard Y. C. Shin'
'Martin A. Bennett'
'Lai Yoong Goh'
'Wei Chen'
'David C. R. Hockless'
'Weng Kee Leong'
'Kazushi Mashima'
'Anthony C. Willis'
_publ_section_title
;
 Arene-Ruthenium Complexes of an Acyclic Thiolate-Thioether and Tridentate
 Thioether Derivatives Resulting from Ring-Closure Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              96
_journal_page_last               106
_journal_paper_doi               10.1021/ic0203419
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C19 H31 F12 N P2 Ru S3'
_chemical_formula_weight         760.64
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.29190(10)
_cell_length_b                   9.12350(10)
_cell_length_c                   33.6347(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2851.37(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.939
_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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            18682
_diffrn_reflns_theta_full        29.30
_diffrn_reflns_theta_max         29.30
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    0.972
_exptl_absorpt_correction_T_max  0.837317
_exptl_absorpt_correction_T_min  0.654001
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.682
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         3879
_refine_ls_number_restraints     336
_refine_ls_restrained_S_all      1.252
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0510
_refine_ls_shift/su_max          0.354
_refine_ls_shift/su_mean         0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0395P)²+5.3902P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1078
_refine_ls_wR_factor_ref         0.1172
_reflns_number_gt                3165
_reflns_number_total             3879
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0203419_5.cif
_cod_data_source_block           rs1=(14)(PF6)2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4312855
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -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
Ru1 Ru 0.89314(4) 0.2500 0.353918(12) 0.02885(13) Uani 1 2 d S . .
S2 S 0.64187(17) 0.2500 0.36274(5) 0.0657(6) Uani 1 2 d S . .
C1 C 0.6288(5) 0.0928(7) 0.39562(16) 0.0700(15) Uani 1 1 d . . .
H1A H 0.5737 0.0131 0.3841 0.084 Uiso 1 1 calc R A 7
H1B H 0.5906 0.1181 0.4216 0.084 Uiso 1 1 calc R A 7
S3 S 0.8258(3) 0.0539(3) 0.39689(7) 0.0488(5) Uani 0.50 1 d P B 7
C4 C 0.8856(13) 0.1165(14) 0.4455(3) 0.072(3) Uani 0.50 1 d P B 7
H3A H 0.8392 0.0569 0.4657 0.086 Uiso 0.50 1 calc PR B 7
H3B H 0.9884 0.1001 0.4476 0.086 Uiso 0.50 1 calc PR B 7
S1 S 0.9122(2) 0.1096(3) 0.41055(6) 0.0440(5) Uani 0.50 1 d P B 8
C2 C 0.7576(11) -0.0100(11) 0.4057(3) 0.056(2) Uani 0.50 1 d P B 8
H2A H 0.7726 -0.0809 0.3846 0.067 Uiso 0.50 1 calc PR B 8
H2B H 0.7400 -0.0623 0.4303 0.067 Uiso 0.50 1 calc PR B 8
C3 C 0.8601(10) 0.2500 0.4530(2) 0.088(3) Uani 1 2 d S . .
H4A H 0.7562 0.2500 0.4502 0.106 Uiso 1 2 calc SR B 7
H4B H 0.8758 0.2500 0.4815 0.106 Uiso 1 2 calc SR B 7
C5 C 0.8989(4) 0.1714(4) 0.29023(11) 0.0382(8) Uani 1 1 d . . .
C6 C 1.0046(4) 0.0941(4) 0.31226(11) 0.0386(9) Uani 1 1 d . . .
C7 C 1.1114(4) 0.1721(5) 0.33444(12) 0.0406(9) Uani 1 1 d . . .
C8 C 0.7890(6) 0.0896(6) 0.26555(16) 0.0676(15) Uani 1 1 d . . .
H8A H 0.7260 0.1585 0.2528 0.101 Uiso 1 1 calc R B .
H8B H 0.7337 0.0262 0.2825 0.101 Uiso 1 1 calc R . .
H8C H 0.8374 0.0322 0.2457 0.101 Uiso 1 1 calc R . .
C9 C 1.0070(7) -0.0716(5) 0.31210(17) 0.0694(15) Uani 1 1 d . . .
H9A H 0.9294 -0.1076 0.2960 0.104 Uiso 1 1 calc R B .
H9B H 0.9960 -0.1072 0.3388 0.104 Uiso 1 1 calc R . .
H9C H 1.0970 -0.1052 0.3015 0.104 Uiso 1 1 calc R . .
C10 C 1.2258(5) 0.0891(7) 0.35711(16) 0.0686(15) Uani 1 1 d . . .
H10A H 1.2883 0.1574 0.3703 0.103 Uiso 1 1 calc R B .
H10B H 1.2808 0.0304 0.3389 0.103 Uiso 1 1 calc R . .
H10C H 1.1809 0.0268 0.3765 0.103 Uiso 1 1 calc R . .
N100 N 0.9315(13) 0.2500 0.5862(3) 0.131(4) Uiso 1 2 d S . .
C100 C 0.8215(12) 0.2500 0.5719(3) 0.091(3) Uiso 1 2 d S . .
C200 C 0.6811(13) 0.2500 0.5564(4) 0.114(4) Uiso 1 2 d S . .
H20A H 0.6786 0.3078 0.5326 0.171 Uiso 0.50 1 calc PR . .
H20B H 0.6162 0.2909 0.5756 0.171 Uiso 0.50 1 calc PR . .
H20C H 0.6527 0.1513 0.5504 0.171 Uiso 0.50 1 calc PR . .
P1 P 0.3122(3) 0.2500 0.48764(6) 0.0762(6) Uani 1 2 d SD . .
F11 F 0.4613(11) 0.206(3) 0.4738(3) 0.203(17) Uani 0.500(12) 1 d PD . 1
F12 F 0.244(2) 0.1104(18) 0.4731(5) 0.216(9) Uani 0.500(12) 1 d PD . 1
F13 F 0.3443(14) 0.1856(18) 0.5286(2) 0.148(8) Uani 0.500(12) 1 d PD . 1
F23 F 0.3806(15) 0.1048(14) 0.5033(6) 0.180(8) Uani 0.500(12) 1 d PD . 2
F22 F 0.1651(9) 0.192(2) 0.5025(4) 0.204(17) Uani 0.500(12) 1 d PD . 2
F21 F 0.289(2) 0.183(2) 0.4470(3) 0.237(12) Uani 0.500(12) 1 d PD . 2
P2 P 0.51626(18) -0.2500 0.31394(5) 0.0488(4) Uani 1 2 d SD . .
F31 F 0.3945(19) -0.2500 0.2816(6) 0.135(9) Uani 0.443(10) 2 d SPD C 3
F32 F 0.6369(18) -0.2500 0.3446(6) 0.135(9) Uani 0.443(10) 2 d SPD C 3
F33 F 0.3975(19) -0.2500 0.3462(5) 0.096(5) Uani 0.443(10) 2 d SPD C 3
F34 F 0.628(2) -0.2500 0.2791(5) 0.096(5) Uani 0.443(10) 2 d SPD C 3
F41 F 0.5918(19) -0.2500 0.2725(4) 0.116(6) Uani 0.557(10) 2 d SPD C 4
F42 F 0.4523(18) -0.2500 0.3568(3) 0.116(6) Uani 0.56 2 d SPD C 4
F43 F 0.3682(12) -0.2500 0.2942(5) 0.120(6) Uani 0.557(10) 2 d SPD C 4
F44 F 0.6707(12) -0.2500 0.3329(5) 0.120(6) Uani 0.56 2 d SPD C 4
F36 F 0.5159(4) -0.0760(3) 0.31410(11) 0.0953(12) Uani 1 1 d D C .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
F F 0.0171 0.0103 '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'
Ru Ru -1.2594 0.8363 '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
C7 Ru1 C7 36.9(2) 7_565 . ?
C7 Ru1 C6 37.12(15) 7_565 7_565 ?
C7 Ru1 C6 66.60(15) . 7_565 ?
C7 Ru1 C6 66.60(15) 7_565 . ?
C7 Ru1 C6 37.12(15) . . ?
C6 Ru1 C6 78.45(19) 7_565 . ?
C7 Ru1 C5 78.63(14) 7_565 . ?
C7 Ru1 C5 66.54(15) . . ?
C6 Ru1 C5 66.39(14) 7_565 . ?
C6 Ru1 C5 36.66(14) . . ?
C7 Ru1 C5 66.54(15) 7_565 7_565 ?
C7 Ru1 C5 78.63(14) . 7_565 ?
C6 Ru1 C5 36.66(14) 7_565 7_565 ?
C6 Ru1 C5 66.39(14) . 7_565 ?
C5 Ru1 C5 37.0(2) . 7_565 ?
C7 Ru1 S1 89.76(12) 7_565 7_565 ?
C7 Ru1 S1 110.36(13) . 7_565 ?
C6 Ru1 S1 97.36(11) 7_565 7_565 ?
C6 Ru1 S1 146.29(13) . 7_565 ?
C5 Ru1 S1 163.57(11) . 7_565 ?
C5 Ru1 S1 127.29(12) 7_565 7_565 ?
C7 Ru1 S1 110.36(13) 7_565 . ?
C7 Ru1 S1 89.76(12) . . ?
C6 Ru1 S1 146.29(13) 7_565 . ?
C6 Ru1 S1 97.36(11) . . ?
C5 Ru1 S1 127.29(12) . . ?
C5 Ru1 S1 163.57(11) 7_565 . ?
S1 Ru1 S1 67.61(12) 7_565 . ?
C7 Ru1 S2 158.79(11) 7_565 . ?
C7 Ru1 S2 158.79(11) . . ?
C6 Ru1 S2 122.37(11) 7_565 . ?
C6 Ru1 S2 122.37(11) . . ?
C5 Ru1 S2 98.22(11) . . ?
C5 Ru1 S2 98.22(11) 7_565 . ?
S1 Ru1 S2 88.39(7) 7_565 . ?
S1 Ru1 S2 88.39(7) . . ?
C7 Ru1 S3 100.15(12) 7_565 7_565 ?
C7 Ru1 S3 130.64(13) . 7_565 ?
C6 Ru1 S3 91.37(11) 7_565 7_565 ?
C6 Ru1 S3 166.72(12) . 7_565 ?
C5 Ru1 S3 145.02(12) . 7_565 ?
C5 Ru1 S3 110.04(12) 7_565 7_565 ?
S1 Ru1 S3 25.95(8) 7_565 7_565 ?
S1 Ru1 S3 86.34(9) . 7_565 ?
S2 Ru1 S3 70.32(7) . 7_565 ?
C7 Ru1 S3 130.64(13) 7_565 . ?
C7 Ru1 S3 100.15(12) . . ?
C6 Ru1 S3 166.72(12) 7_565 . ?
C6 Ru1 S3 91.37(11) . . ?
C5 Ru1 S3 110.04(12) . . ?
C5 Ru1 S3 145.02(13) 7_565 . ?
S1 Ru1 S3 86.34(9) 7_565 . ?
S1 Ru1 S3 25.95(8) . . ?
S2 Ru1 S3 70.32(7) . . ?
S3 Ru1 S3 97.29(12) 7_565 . ?
C1 S2 C1 104.4(4) 7_565 . ?
C1 S2 Ru1 98.22(17) 7_565 . ?
C1 S2 Ru1 98.22(17) . . ?
C2 C1 S2 123.9(5) . . ?
C2 C1 S3 29.1(4) . . ?
S2 C1 S3 95.7(3) . . ?
C4 S3 C1 105.1(4) . . ?
C4 S3 Ru1 103.3(4) . . ?
C1 S3 Ru1 95.8(2) . . ?
C3 C4 S3 115.0(8) . . ?
C2 S1 C3 105.1(4) . . ?
C2 S1 Ru1 101.5(3) . . ?
C3 S1 Ru1 102.58(18) . . ?
C1 C2 S1 105.4(6) . . ?
C4 C3 C4 148.4(13) 7_565 . ?
C4 C3 S1 115.8(7) 7_565 . ?
C4 C3 S1 35.8(5) . . ?
C4 C3 S1 35.8(5) 7_565 7_565 ?
C4 C3 S1 115.8(7) . 7_565 ?
S1 C3 S1 80.7(3) . 7_565 ?
C6 C5 C5 119.8(2) . 7_565 ?
C6 C5 C8 120.6(4) . . ?
C5 C5 C8 119.5(3) 7_565 . ?
C6 C5 Ru1 71.3(2) . . ?
C5 C5 Ru1 71.49(10) 7_565 . ?
C8 C5 Ru1 131.4(3) . . ?
C5 C6 C7 120.4(3) . . ?
C5 C6 C9 120.4(4) . . ?
C7 C6 C9 119.3(4) . . ?
C5 C6 Ru1 72.1(2) . . ?
C7 C6 Ru1 71.3(2) . . ?
C9 C6 Ru1 129.9(3) . . ?
C7 C7 C6 119.8(2) 7_565 . ?
C7 C7 C10 120.1(3) 7_565 . ?
C6 C7 C10 120.1(4) . . ?
C7 C7 Ru1 71.55(11) 7_565 . ?
C6 C7 Ru1 71.5(2) . . ?
C10 C7 Ru1 130.3(3) . . ?
N100 C100 C200 176.6(13) . . ?
F12 P1 F12 115.5(16) . 7_565 ?
F12 P1 F21 45.9(7) . . ?
F12 P1 F21 89.4(12) 7_565 . ?
F12 P1 F21 89.4(12) . 7_565 ?
F12 P1 F21 45.9(7) 7_565 7_565 ?
F21 P1 F21 47.8(15) . 7_565 ?
F12 P1 F11 120.5(15) . 7_565 ?
F12 P1 F11 93.7(10) 7_565 7_565 ?
F21 P1 F11 87.6(10) . 7_565 ?
F21 P1 F11 75.2(9) 7_565 7_565 ?
F12 P1 F11 93.7(10) . . ?
F12 P1 F11 120.5(15) 7_565 . ?
F21 P1 F11 75.2(9) . . ?
F21 P1 F11 87.6(10) 7_565 . ?
F11 P1 F11 30(2) 7_565 . ?
F12 P1 F13 134.6(11) . 7_565 ?
F12 P1 F13 92.9(7) 7_565 7_565 ?
F21 P1 F13 176.8(10) . 7_565 ?
F21 P1 F13 133.3(7) 7_565 7_565 ?
F11 P1 F13 89.9(7) 7_565 7_565 ?
F11 P1 F13 101.6(7) . 7_565 ?
F12 P1 F13 92.9(7) . . ?
F12 P1 F13 134.6(11) 7_565 . ?
F21 P1 F13 133.3(7) . . ?
F21 P1 F13 176.8(10) 7_565 . ?
F11 P1 F13 101.6(7) 7_565 . ?
F11 P1 F13 89.9(7) . . ?
F13 P1 F13 45.3(13) 7_565 . ?
F12 P1 F22 56.1(9) . . ?
F12 P1 F22 91.3(11) 7_565 . ?
F21 P1 F22 91.6(8) . . ?
F21 P1 F22 107.8(9) 7_565 . ?
F11 P1 F22 174.9(13) 7_565 . ?
F11 P1 F22 144.7(13) . . ?
F13 P1 F22 90.8(7) 7_565 . ?
F13 P1 F22 75.4(7) . . ?
F12 P1 F22 91.3(11) . 7_565 ?
F12 P1 F22 56.1(9) 7_565 7_565 ?
F21 P1 F22 107.8(9) . 7_565 ?
F21 P1 F22 91.6(7) 7_565 7_565 ?
F11 P1 F22 144.7(13) 7_565 7_565 ?
F11 P1 F22 174.9(13) . 7_565 ?
F13 P1 F22 75.4(7) 7_565 7_565 ?
F13 P1 F22 90.8(7) . 7_565 ?
F22 P1 F22 40.2(15) . 7_565 ?
F12 P1 F23 178.8(11) . 7_565 ?
F12 P1 F23 64.1(10) 7_565 7_565 ?
F21 P1 F23 135.0(11) . 7_565 ?
F21 P1 F23 91.1(7) 7_565 7_565 ?
F11 P1 F23 60.6(11) 7_565 7_565 ?
F11 P1 F23 87.4(12) . 7_565 ?
F13 P1 F23 44.6(6) 7_565 7_565 ?
F13 P1 F23 86.7(12) . 7_565 ?
F22 P1 F23 122.8(10) . 7_565 ?
F22 P1 F23 87.6(7) 7_565 7_565 ?
F12 P1 F23 64.1(9) . . ?
F12 P1 F23 178.8(11) 7_565 . ?
F21 P1 F23 91.1(7) . . ?
F21 P1 F23 135.0(11) 7_565 . ?
F11 P1 F23 87.4(12) 7_565 . ?
F11 P1 F23 60.6(11) . . ?
F13 P1 F23 86.7(12) 7_565 . ?
F13 P1 F23 44.6(6) . . ?
F22 P1 F23 87.6(7) . . ?
F22 P1 F23 122.8(10) 7_565 . ?
F23 P1 F23 116.1(14) 7_565 . ?
F11 F11 P1 74.8(11) 7_565 . ?
F13 F13 P1 67.3(6) 7_565 . ?
F22 F22 P1 69.9(8) 7_565 . ?
F21 F21 P1 66.1(7) 7_565 . ?
F32 P2 F43 163.1(13) . . ?
F32 P2 F33 92.8(6) . . ?
F43 P2 F33 70.3(12) . . ?
F32 P2 F42 69.8(12) . . ?
F43 P2 F42 93.3(6) . . ?
F33 P2 F42 23.0(11) . . ?
F32 P2 F41 105.9(14) . . ?
F43 P2 F41 91.0(6) . . ?
F33 P2 F41 161.3(13) . . ?
F42 P2 F41 175.7(6) . . ?
F32 P2 F34 91.1(7) . . ?
F43 P2 F34 105.8(13) . . ?
F33 P2 F34 176.1(7) . . ?
F42 P2 F34 160.9(12) . . ?
F41 P2 F34 14.8(14) . . ?
F32 P2 F31 178.8(7) . . ?
F43 P2 F31 18.1(13) . . ?
F33 P2 F31 88.4(6) . . ?
F42 P2 F31 111.4(12) . . ?
F41 P2 F31 72.9(14) . . ?
F34 P2 F31 87.7(6) . . ?
F32 P2 F44 18.7(13) . . ?
F43 P2 F44 178.2(6) . . ?
F33 P2 F44 111.5(12) . . ?
F42 P2 F44 88.5(6) . . ?
F41 P2 F44 87.2(6) . . ?
F34 P2 F44 72.4(13) . . ?
F31 P2 F44 160.1(13) . . ?
F32 P2 F36 89.95(16) . 7 ?
F43 P2 F36 89.99(16) . 7 ?
F33 P2 F36 89.78(14) . 7 ?
F42 P2 F36 89.78(15) . 7 ?
F41 P2 F36 90.22(15) . 7 ?
F34 P2 F36 90.22(14) . 7 ?
F31 P2 F36 90.06(16) . 7 ?
F44 P2 F36 90.02(16) . 7 ?
F32 P2 F36 89.95(16) . . ?
F43 P2 F36 89.99(16) . . ?
F33 P2 F36 89.78(14) . . ?
F42 P2 F36 89.78(15) . . ?
F41 P2 F36 90.22(15) . . ?
F34 P2 F36 90.22(14) . . ?
F31 P2 F36 90.06(16) . . ?
F44 P2 F36 90.02(16) . . ?
F36 P2 F36 179.6(3) 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
Ru1 C7 2.247(4) 7_565 ?
Ru1 C7 2.247(4) . ?
Ru1 C6 2.249(4) 7_565 ?
Ru1 C6 2.249(4) . ?
Ru1 C5 2.260(4) . ?
Ru1 C5 2.260(4) 7_565 ?
Ru1 S1 2.302(2) 7_565 ?
Ru1 S1 2.302(2) . ?
Ru1 S2 2.3536(16) . ?
Ru1 S3 2.384(2) 7_565 ?
Ru1 S3 2.384(2) . ?
S2 C1 1.815(7) 7_565 ?
S2 C1 1.815(7) . ?
C1 C2 1.558(11) . ?
C1 S3 1.865(6) . ?
S3 C4 1.820(12) . ?
C4 C3 1.266(13) . ?
S1 C2 1.812(10) . ?
S1 C3 1.978(6) . ?
C3 C4 1.266(14) 7_565 ?
C3 S1 1.978(6) 7_565 ?
C5 C6 1.418(6) . ?
C5 C5 1.435(8) 7_565 ?
C5 C8 1.513(6) . ?
C6 C7 1.431(6) . ?
C6 C9 1.512(5) . ?
C7 C7 1.422(8) 7_565 ?
C7 C10 1.511(6) . ?
N100 C100 1.129(13) . ?
C100 C200 1.405(15) . ?
P1 F12 1.506(10) . ?
P1 F12 1.506(10) 7_565 ?
P1 F21 1.514(9) . ?
P1 F21 1.514(9) 7_565 ?
P1 F11 1.515(11) 7_565 ?
P1 F11 1.515(11) . ?
P1 F13 1.526(8) 7_565 ?
P1 F13 1.526(8) . ?
P1 F22 1.550(9) . ?
P1 F22 1.550(9) 7_565 ?
P1 F23 1.561(9) 7_565 ?
P1 F23 1.561(9) . ?
F11 F11 0.79(6) 7_565 ?
F13 F13 1.18(3) 7_565 ?
F22 F22 1.07(4) 7_565 ?
F21 F21 1.23(4) 7_565 ?
P2 F32 1.523(10) . ?
P2 F43 1.527(8) . ?
P2 F33 1.548(9) . ?
P2 F42 1.558(8) . ?
P2 F41 1.560(9) . ?
P2 F34 1.565(9) . ?
P2 F31 1.568(10) . ?
P2 F44 1.570(8) . ?
P2 F36 1.588(3) 7 ?
P2 F36 1.588(3) . ?
