#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:30:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179848 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/44/7014475.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_7014475
loop_
_publ_author_name
'Girotti, Rugiada'
'Romerosa, Antonio'
'Mañas, Sonia'
'Serrano-Ruiz, Manuel'
'Perutz, Robin'
_publ_section_title
;
 Photo-aquation of cis-[RuCl2(mPTA)4](CF3SO3)4 in water (mPTA =
 N-methyl-1,3,5-triaza-7-phosphaadamantane).
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              828
_journal_page_last               836
_journal_paper_doi               10.1039/c0dt00885k
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C24 H45 Cl2 F9 N9 O11 P3 Ru S3'
_chemical_formula_weight         1167.75
_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                72.418(5)
_cell_angle_beta                 71.313(5)
_cell_angle_gamma                89.160(5)
_cell_formula_units_Z            2
_cell_length_a                   13.246(5)
_cell_length_b                   13.399(5)
_cell_length_c                   14.017(5)
_cell_measurement_reflns_used    7297
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      48.86
_cell_measurement_theta_min      3.200
_cell_volume                     2237.2(14)
_computing_cell_refinement       'Bruker APEX'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0790
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11677
_diffrn_reflns_theta_full        24.43
_diffrn_reflns_theta_max         24.43
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.816
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.075
_refine_diff_density_max         1.806
_refine_diff_density_min         -1.011
_refine_diff_density_rms         0.228
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         7297
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0590
_refine_ls_shift/su_max          0.095
_refine_ls_shift/su_mean         0.020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1476P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1759
_refine_ls_wR_factor_ref         0.2219
_reflns_number_gt                5423
_reflns_number_total             7297
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT00885K.TXT
_cod_data_source_block           ru3mptas
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7014475
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
Ru1 Ru 0.88240(4) 0.24886(4) 0.85891(4) 0.0183(2) Uani 1 1 d . . .
P1 P 0.72791(14) 0.21846(14) 0.82635(13) 0.0228(4) Uani 1 1 d . . .
P2 P 1.01644(14) 0.27232(14) 0.92905(13) 0.0207(4) Uani 1 1 d . . .
P3 P 0.98483(14) 0.26218(14) 0.69552(13) 0.0201(4) Uani 1 1 d . . .
S1T S 0.28773(14) 0.02566(15) 0.74766(14) 0.0296(5) Uani 1 1 d . . .
S2T S 0.24014(18) 0.60282(18) 0.62100(16) 0.0445(6) Uani 1 1 d . . .
S3T S 0.64248(16) 0.66559(17) 0.80431(15) 0.0361(5) Uani 1 1 d . . .
O1 O 0.7785(4) 0.2417(4) 1.0212(4) 0.0305(12) Uani 1 1 d . . .
C1 C 0.6155(5) 0.1484(6) 0.9448(5) 0.0313(18) Uani 1 1 d . . .
H1A H 0.6352 0.0795 0.9770 0.038 Uiso 1 1 calc R . .
H1B H 0.6024 0.1866 0.9958 0.038 Uiso 1 1 calc R . .
C2 C 0.7147(6) 0.1416(7) 0.7424(6) 0.038(2) Uani 1 1 d . . .
H2A H 0.7602 0.1764 0.6700 0.046 Uiso 1 1 calc R . .
H2B H 0.7394 0.0729 0.7661 0.046 Uiso 1 1 calc R . .
C3 C 0.6580(6) 0.3301(6) 0.7728(6) 0.0360(19) Uani 1 1 d . . .
H3A H 0.6466 0.3760 0.8164 0.043 Uiso 1 1 calc R . .
H3B H 0.7030 0.3699 0.7017 0.043 Uiso 1 1 calc R . .
C4 C 0.5296(6) 0.0726(7) 0.8505(6) 0.041(2) Uani 1 1 d . . .
H4A H 0.5559 0.0061 0.8794 0.049 Uiso 1 1 calc R . .
H4B H 0.4606 0.0576 0.8451 0.049 Uiso 1 1 calc R . .
C5 C 0.5668(7) 0.2244(7) 0.7002(6) 0.046(2) Uani 1 1 d . . .
H5A H 0.4990 0.2102 0.6919 0.055 Uiso 1 1 calc R . .
H5B H 0.6172 0.2601 0.6303 0.055 Uiso 1 1 calc R . .
C6 C 0.4787(6) 0.2315(7) 0.8823(6) 0.041(2) Uani 1 1 d . . .
H6A H 0.4726 0.2728 0.9297 0.050 Uiso 1 1 calc R . .
H6B H 0.4076 0.2182 0.8805 0.050 Uiso 1 1 calc R . .
C7 C 0.5008(7) 0.3902(7) 0.7245(9) 0.068(3) Uani 1 1 d . . .
H7A H 0.4827 0.4310 0.7724 0.102 Uiso 1 1 calc R . .
H7B H 0.4371 0.3683 0.7148 0.102 Uiso 1 1 calc R . .
H7C H 0.5498 0.4321 0.6573 0.102 Uiso 1 1 calc R . .
C8 C 1.1581(6) 0.2432(7) 0.8912(6) 0.0349(19) Uani 1 1 d . . .
H8A H 1.1615 0.1697 0.8957 0.042 Uiso 1 1 calc R . .
H8B H 1.1951 0.2850 0.8182 0.042 Uiso 1 1 calc R . .
C9 C 1.0349(6) 0.4018(6) 0.9417(6) 0.0316(17) Uani 1 1 d . . .
H9A H 1.0651 0.4523 0.8714 0.038 Uiso 1 1 calc R . .
H9B H 0.9657 0.4229 0.9755 0.038 Uiso 1 1 calc R . .
C10 C 0.9810(6) 0.1949(6) 1.0707(5) 0.0319(18) Uani 1 1 d . . .
H10A H 0.9090 0.2074 1.1081 0.038 Uiso 1 1 calc R . .
H10B H 0.9810 0.1207 1.0771 0.038 Uiso 1 1 calc R . .
C11 C 1.1702(6) 0.2011(7) 1.0660(7) 0.039(2) Uani 1 1 d . . .
H11A H 1.2158 0.2120 1.1048 0.047 Uiso 1 1 calc R . .
H11B H 1.1714 0.1284 1.0671 0.047 Uiso 1 1 calc R . .
C12 C 1.2115(6) 0.3765(6) 0.9569(6) 0.037(2) Uani 1 1 d . . .
H12A H 1.2570 0.3900 0.9945 0.045 Uiso 1 1 calc R . .
H12B H 1.2409 0.4208 0.8836 0.045 Uiso 1 1 calc R . .
C13 C 1.0587(6) 0.3378(6) 1.1125(6) 0.0310(17) Uani 1 1 d . . .
H13A H 0.9864 0.3554 1.1418 0.037 Uiso 1 1 calc R . .
H13B H 1.1002 0.3514 1.1538 0.037 Uiso 1 1 calc R . .
C14 C 1.0183(8) 0.1586(7) 1.2365(6) 0.053(3) Uani 1 1 d . . .
H14A H 0.9520 0.1820 1.2718 0.080 Uiso 1 1 calc R . .
H14B H 1.0710 0.1681 1.2675 0.080 Uiso 1 1 calc R . .
H14C H 1.0076 0.0855 1.2442 0.080 Uiso 1 1 calc R . .
C15 C 0.9590(6) 0.3663(5) 0.5869(5) 0.0248(16) Uani 1 1 d . . .
H15A H 0.8869 0.3530 0.5877 0.030 Uiso 1 1 calc R . .
H15B H 0.9641 0.4337 0.5982 0.030 Uiso 1 1 calc R . .
C16 C 0.9978(6) 0.1503(5) 0.6422(5) 0.0291(17) Uani 1 1 d . . .
H16A H 1.0286 0.0944 0.6834 0.035 Uiso 1 1 calc R . .
H16B H 0.9273 0.1233 0.6494 0.035 Uiso 1 1 calc R . .
C17 C 1.1314(5) 0.2925(5) 0.6561(5) 0.0209(15) Uani 1 1 d . . .
H17A H 1.1445 0.3551 0.6730 0.025 Uiso 1 1 calc R . .
H17B H 1.1601 0.2350 0.6978 0.025 Uiso 1 1 calc R . .
C18 C 1.0273(6) 0.2700(6) 0.4613(5) 0.0352(19) Uani 1 1 d . . .
H18A H 0.9529 0.2519 0.4724 0.042 Uiso 1 1 calc R . .
H18B H 1.0675 0.2795 0.3874 0.042 Uiso 1 1 calc R . .
C19 C 1.1749(6) 0.2096(6) 0.5144(5) 0.0299(17) Uani 1 1 d . . .
H19A H 1.2183 0.2188 0.4414 0.036 Uiso 1 1 calc R . .
H19B H 1.2004 0.1522 0.5594 0.036 Uiso 1 1 calc R . .
C20 C 1.1440(6) 0.3980(6) 0.4685(5) 0.0317(18) Uani 1 1 d . . .
H20A H 1.1485 0.4625 0.4852 0.038 Uiso 1 1 calc R . .
H20B H 1.1870 0.4106 0.3947 0.038 Uiso 1 1 calc R . .
C21 C 1.3058(6) 0.3387(6) 0.5157(6) 0.0341(18) Uani 1 1 d . . .
H21A H 1.3145 0.4053 0.5260 0.051 Uiso 1 1 calc R . .
H21B H 1.3441 0.3437 0.4433 0.051 Uiso 1 1 calc R . .
H21C H 1.3335 0.2859 0.5619 0.051 Uiso 1 1 calc R . .
Cl1 Cl 0.88909(15) 0.06169(13) 0.91943(14) 0.0320(4) Uani 1 1 d . . .
Cl2 Cl 0.86566(14) 0.43606(13) 0.80823(13) 0.0271(4) Uani 1 1 d . . .
N1 N 0.5517(5) 0.2963(5) 0.7691(5) 0.0400(17) Uani 1 1 d . . .
N2 N 0.5168(5) 0.1358(5) 0.9226(5) 0.0332(15) Uani 1 1 d . . .
N3 N 0.6048(5) 0.1282(6) 0.7442(5) 0.0399(17) Uani 1 1 d . . .
N4 N 1.1903(4) 0.3097(5) 0.5403(4) 0.0276(14) Uani 1 1 d . . .
N5 N 1.0360(5) 0.3708(5) 0.4824(4) 0.0278(14) Uani 1 1 d . . .
N6 N 1.0666(5) 0.1815(5) 0.5281(4) 0.0332(15) Uani 1 1 d . . .
N7 N 1.0557(5) 0.2203(4) 1.1230(5) 0.0285(14) Uani 1 1 d . . .
N8 N 1.2128(5) 0.2661(5) 0.9605(5) 0.0337(15) Uani 1 1 d . . .
N9 N 1.1049(5) 0.4048(5) 1.0032(5) 0.0277(14) Uani 1 1 d . . .
C1T C 0.3845(8) -0.0001(8) 0.6349(7) 0.052(2) Uani 1 1 d . . .
C2T C 0.3771(8) 0.6457(8) 0.6058(8) 0.056(3) Uani 1 1 d . . .
C3T C 0.5819(8) 0.7850(9) 0.7695(7) 0.056(3) Uani 1 1 d . . .
O1T O 0.3201(4) 0.1333(4) 0.7298(5) 0.0434(14) Uani 1 1 d . . .
O2T O 0.1855(5) 0.0106(5) 0.7388(5) 0.0578(18) Uani 1 1 d . . .
O3T O 0.3110(4) -0.0489(4) 0.8357(4) 0.0434(15) Uani 1 1 d . . .
O4T O 0.2474(5) 0.6115(5) 0.5139(4) 0.0498(16) Uani 1 1 d . . .
O5T O 0.2287(7) 0.4958(5) 0.6891(5) 0.076(2) Uani 1 1 d . . .
O6T O 0.1772(7) 0.6754(7) 0.6672(6) 0.089(3) Uani 1 1 d . . .
O7T O 0.6137(6) 0.6042(5) 0.7495(5) 0.0646(19) Uani 1 1 d . . .
O8T O 0.7531(5) 0.7022(5) 0.7654(4) 0.0492(15) Uani 1 1 d . . .
O9T O 0.5977(5) 0.6244(6) 0.9188(5) 0.0644(19) Uani 1 1 d . . .
F1T F 0.4840(4) 0.0160(5) 0.6326(4) 0.0753(18) Uani 1 1 d . . .
F2T F 0.3726(7) -0.0971(6) 0.6361(6) 0.099(2) Uani 1 1 d . . .
F3T F 0.3746(6) 0.0618(6) 0.5446(4) 0.099(3) Uani 1 1 d . . .
F4T F 0.4058(6) 0.7414(5) 0.5444(5) 0.088(2) Uani 1 1 d . . .
F5T F 0.4436(5) 0.5843(6) 0.5619(6) 0.090(2) Uani 1 1 d . . .
F6T F 0.3843(6) 0.6346(6) 0.7001(5) 0.105(3) Uani 1 1 d . . .
F7T F 0.4746(5) 0.7688(6) 0.8041(5) 0.090(2) Uani 1 1 d . . .
F8T F 0.6111(5) 0.8301(5) 0.6677(4) 0.101(3) Uani 1 1 d . . .
F9T F 0.6056(7) 0.8498(5) 0.8159(7) 0.109(3) Uani 1 1 d . . .
O1W O 0.3590(6) 0.6080(6) 0.0017(6) 0.087(3) Uani 1 1 d . . .
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'
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'
Cl Cl 0.1484 0.1585 '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
P3 Ru1 O1 177.89(14) . . ?
P3 Ru1 P1 92.90(7) . . ?
O1 Ru1 P1 86.94(13) . . ?
P3 Ru1 P2 99.02(7) . . ?
O1 Ru1 P2 81.20(13) . . ?
P1 Ru1 P2 168.00(6) . . ?
P3 Ru1 Cl1 92.54(7) . . ?
O1 Ru1 Cl1 89.55(14) . . ?
P1 Ru1 Cl1 87.93(7) . . ?
P2 Ru1 Cl1 90.16(6) . . ?
P3 Ru1 Cl2 91.03(6) . . ?
O1 Ru1 Cl2 86.87(14) . . ?
P1 Ru1 Cl2 90.80(6) . . ?
P2 Ru1 Cl2 90.36(6) . . ?
Cl1 Ru1 Cl2 176.26(6) . . ?
C1 P1 C2 97.1(4) . . ?
C1 P1 C3 97.9(3) . . ?
C2 P1 C3 96.7(4) . . ?
C1 P1 Ru1 114.6(2) . . ?
C2 P1 Ru1 125.3(3) . . ?
C3 P1 Ru1 119.8(2) . . ?
C9 P2 C8 98.5(4) . . ?
C9 P2 C10 97.9(3) . . ?
C8 P2 C10 95.8(3) . . ?
C9 P2 Ru1 116.4(2) . . ?
C8 P2 Ru1 130.2(2) . . ?
C10 P2 Ru1 112.0(2) . . ?
C15 P3 C17 98.8(3) . . ?
C15 P3 C16 100.6(3) . . ?
C17 P3 C16 94.0(3) . . ?
C15 P3 Ru1 116.8(2) . . ?
C17 P3 Ru1 119.3(2) . . ?
C16 P3 Ru1 122.4(2) . . ?
O2T S1T O1T 113.6(4) . . ?
O2T S1T O3T 117.0(3) . . ?
O1T S1T O3T 114.4(3) . . ?
O2T S1T C1T 106.3(4) . . ?
O1T S1T C1T 101.3(4) . . ?
O3T S1T C1T 101.7(4) . . ?
O5T S2T O6T 116.3(5) . . ?
O5T S2T O4T 113.6(4) . . ?
O6T S2T O4T 116.8(4) . . ?
O5T S2T C2T 101.3(5) . . ?
O6T S2T C2T 102.9(5) . . ?
O4T S2T C2T 102.7(4) . . ?
O7T S3T O8T 114.5(4) . . ?
O7T S3T O9T 115.0(4) . . ?
O8T S3T O9T 114.2(4) . . ?
O7T S3T C3T 104.4(5) . . ?
O8T S3T C3T 101.8(4) . . ?
O9T S3T C3T 104.8(4) . . ?
N2 C1 P1 113.4(5) . . ?
N3 C2 P1 112.8(6) . . ?
N1 C3 P1 112.9(5) . . ?
N3 C4 N2 111.2(6) . . ?
N3 C5 N1 112.2(6) . . ?
N2 C6 N1 113.2(6) . . ?
N8 C8 P2 112.0(5) . . ?
N9 C9 P2 113.1(5) . . ?
N7 C10 P2 113.7(5) . . ?
N8 C11 N7 114.0(6) . . ?
N9 C12 N8 112.9(6) . . ?
N9 C13 N7 112.6(5) . . ?
N5 C15 P3 111.6(4) . . ?
N6 C16 P3 111.9(5) . . ?
N4 C17 P3 113.9(4) . . ?
N6 C18 N5 114.2(5) . . ?
N6 C19 N4 113.8(6) . . ?
N5 C20 N4 112.1(5) . . ?
C7 N1 C3 109.6(6) . . ?
C7 N1 C5 109.3(7) . . ?
C3 N1 C5 110.4(6) . . ?
C7 N1 C6 111.0(7) . . ?
C3 N1 C6 109.8(6) . . ?
C5 N1 C6 106.8(6) . . ?
C6 N2 C1 112.8(6) . . ?
C6 N2 C4 110.1(6) . . ?
C1 N2 C4 111.5(6) . . ?
C5 N3 C4 110.2(7) . . ?
C5 N3 C2 112.4(7) . . ?
C4 N3 C2 113.3(6) . . ?
C21 N4 C17 109.8(5) . . ?
C21 N4 C19 110.7(5) . . ?
C17 N4 C19 109.1(5) . . ?
C21 N4 C20 109.5(5) . . ?
C17 N4 C20 111.4(5) . . ?
C19 N4 C20 106.4(5) . . ?
C20 N5 C15 114.6(6) . . ?
C20 N5 C18 109.7(6) . . ?
C15 N5 C18 110.4(5) . . ?
C19 N6 C18 108.6(6) . . ?
C19 N6 C16 111.7(6) . . ?
C18 N6 C16 112.2(6) . . ?
C14 N7 C10 109.8(6) . . ?
C14 N7 C13 108.8(6) . . ?
C10 N7 C13 110.0(5) . . ?
C14 N7 C11 112.1(6) . . ?
C10 N7 C11 110.3(6) . . ?
C13 N7 C11 105.8(6) . . ?
C11 N8 C12 109.7(6) . . ?
C11 N8 C8 112.5(6) . . ?
C12 N8 C8 112.1(6) . . ?
C12 N9 C13 109.8(6) . . ?
C12 N9 C9 112.8(6) . . ?
C13 N9 C9 111.4(6) . . ?
F2T C1T F1T 106.5(8) . . ?
F2T C1T F3T 107.1(8) . . ?
F1T C1T F3T 108.5(8) . . ?
F2T C1T S1T 112.4(7) . . ?
F1T C1T S1T 111.6(6) . . ?
F3T C1T S1T 110.5(7) . . ?
F4T C2T F6T 110.8(9) . . ?
F4T C2T F5T 107.6(9) . . ?
F6T C2T F5T 108.5(9) . . ?
F4T C2T S2T 112.1(7) . . ?
F6T C2T S2T 109.4(8) . . ?
F5T C2T S2T 108.4(7) . . ?
F8T C3T F9T 110.2(10) . . ?
F8T C3T F7T 106.4(8) . . ?
F9T C3T F7T 106.3(8) . . ?
F8T C3T S3T 112.4(7) . . ?
F9T C3T S3T 109.5(6) . . ?
F7T C3T S3T 111.8(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
Ru1 P3 2.2106(19) . ?
Ru1 O1 2.223(5) . ?
Ru1 P1 2.3015(19) . ?
Ru1 P2 2.3535(18) . ?
Ru1 Cl1 2.403(2) . ?
Ru1 Cl2 2.4194(19) . ?
P1 C1 1.836(7) . ?
P1 C2 1.829(8) . ?
P1 C3 1.840(8) . ?
P2 C9 1.824(7) . ?
P2 C8 1.849(7) . ?
P2 C10 1.847(7) . ?
P3 C15 1.849(6) . ?
P3 C17 1.854(7) . ?
P3 C16 1.850(7) . ?
S1T O2T 1.422(6) . ?
S1T O1T 1.435(6) . ?
S1T O3T 1.452(5) . ?
S1T C1T 1.810(10) . ?
S2T O5T 1.441(7) . ?
S2T O6T 1.439(7) . ?
S2T O4T 1.442(6) . ?
S2T C2T 1.837(10) . ?
S3T O7T 1.410(6) . ?
S3T O8T 1.426(6) . ?
S3T O9T 1.447(6) . ?
S3T C3T 1.784(9) . ?
C1 N2 1.461(9) . ?
C2 N3 1.460(9) . ?
C3 N1 1.507(9) . ?
C4 N3 1.472(10) . ?
C4 N2 1.473(10) . ?
C5 N3 1.412(11) . ?
C5 N1 1.528(11) . ?
C6 N2 1.395(10) . ?
C6 N1 1.555(10) . ?
C7 N1 1.482(10) . ?
C8 N8 1.484(9) . ?
C9 N9 1.462(9) . ?
C10 N7 1.501(8) . ?
C11 N8 1.402(10) . ?
C11 N7 1.530(10) . ?
C12 N9 1.450(10) . ?
C12 N8 1.464(10) . ?
C13 N9 1.454(9) . ?
C13 N7 1.536(9) . ?
C14 N7 1.475(9) . ?
C15 N5 1.477(9) . ?
C16 N6 1.495(9) . ?
C17 N4 1.506(8) . ?
C18 N6 1.476(9) . ?
C18 N5 1.481(9) . ?
C19 N6 1.425(9) . ?
C19 N4 1.525(9) . ?
C20 N5 1.418(9) . ?
C20 N4 1.563(8) . ?
C21 N4 1.486(9) . ?
C1T F2T 1.306(11) . ?
C1T F1T 1.326(11) . ?
C1T F3T 1.334(10) . ?
C2T F4T 1.291(11) . ?
C2T F6T 1.319(11) . ?
C2T F5T 1.330(12) . ?
C3T F8T 1.298(10) . ?
C3T F9T 1.324(12) . ?
C3T F7T 1.344(11) . ?
