#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:09:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179315 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/12/4321282.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_4321282
loop_
_publ_author_name
'Joseph N. Coalter'
'John C. Huffman'
'William E. Streib'
'Kenneth G. Caulton'
_publ_section_title
;
 A New Class of Electron-Rich Unsaturated Molecules: Ru2HnX4-n(PiPr3)4, X
 = Anion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3757
_journal_page_last               3764
_journal_paper_doi               10.1021/ic991112y
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C36 H86 F2 P4 Ru2'
_chemical_formula_weight         883.111
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.2 BETA  output'
_cell_angle_alpha                105.631(7)
_cell_angle_beta                 110.829(7)
_cell_angle_gamma                86.145(8)
_cell_formula_units_Z            2
_cell_length_a                   13.7504(19)
_cell_length_b                   15.989(2)
_cell_length_c                   11.0235(15)
_cell_measurement_reflns_used    76
_cell_measurement_temperature    102.
_cell_measurement_theta_max      10.58
_cell_measurement_theta_min      9.59
_cell_volume                     2180.3(5)
_computing_cell_refinement       'XTEL, local package'
_computing_data_collection       'NPS, local program'
_computing_data_reduction        'XTEL, local package'
_computing_molecular_graphics    'XTEL, local package'
_computing_publication_material  'XTEL, local package'
_computing_structure_refinement  'XTEL, local package'
_computing_structure_solution    MULTAN78
_diffrn_ambient_temperature      102.
_diffrn_measured_fraction_theta_full 0
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'refurbished Picker diffractometer'
_diffrn_measurement_method       'θ/2θ scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8316
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         25.0008
_diffrn_reflns_theta_min         3.03104
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 400
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.8707
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.83
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular fragment'
_exptl_crystal_F_000             936
_exptl_crystal_size_max          .16
_exptl_crystal_size_mid          .14
_exptl_crystal_size_min          .12
_refine_diff_density_max         1.42
_refine_diff_density_min         -0.54
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       -0.00000013(5)
_refine_ls_extinction_expression
;

Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)

;
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   1.5936
_refine_ls_matrix_type           full
_refine_ls_number_parameters     742
_refine_ls_number_reflns         6514
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.0315
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w⁻¹=σ²(F)+(.03F)²
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0317
_reflns_number_gt                6514
_reflns_number_total             7654
_reflns_threshold_expression     F²>2.33σ(F²)
_cod_data_source_file            ic991112y_3.cif
_cod_data_source_block           MSC98190
_cod_database_code               4321282
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_disorder_group
_atom_site_disorder_assembly
Ru1 RU 0.896985(15) 0.733706(13) 0.17882(2) 0.01786(8) Uani 1 0 .
Ru2 RU 0.643910(15) 0.731566(14) 0.137922(19) 0.01775(8) Uani 1 0 .
F3 F 0.79487(11) 0.72241(12) 0.27893(15) 0.0372(7) Uani 1 0 .
F4 F 0.74996(11) 0.76854(12) 0.06065(17) 0.0450(7) Uani 1 0 .
P5 P 1.03029(5) 0.68227(4) 0.32373(6) 0.0160(2) Uani 1 0 .
C6 C 1.1039(2) 0.75782(17) 0.4894(3) 0.0210(10) Uani 1 0 .
C7 C 1.1923(2) 0.8083(2) 0.4854(3) 0.0286(11) Uani 1 0 .
C8 C 1.0317(2) 0.8216(2) 0.5416(3) 0.0288(12) Uani 1 0 .
C9 C 1.1398(2) 0.62408(17) 0.2761(3) 0.0202(10) Uani 1 0 .
C10 C 1.1007(3) 0.5468(2) 0.1533(3) 0.0292(12) Uani 1 0 .
C11 C 1.2261(2) 0.5940(2) 0.3867(3) 0.0284(11) Uani 1 0 .
C12 C 0.9822(2) 0.59444(18) 0.3757(3) 0.0289(11) Uani 1 0 .
C13 C 0.8963(3) 0.5364(2) 0.2580(4) 0.0408(13) Uani 1 0 .
C14 C 0.9468(2) 0.6247(2) 0.4961(3) 0.0362(13) Uani 1 0 .
P15 P 0.96555(5) 0.80104(4) 0.07407(6) 0.0179(2) Uani 1 0 .
C16 C 1.1031(2) 0.78784(19) 0.0771(3) 0.0291(11) Uani 1 0 .
C17 C 1.1546(2) 0.8601(3) 0.0520(4) 0.0432(15) Uani 1 0 .
C18 C 1.1150(2) 0.7010(2) -0.0157(3) 0.0329(12) Uani 1 0 .
C19 C 0.8791(2) 0.78080(17) -0.1069(3) 0.0228(10) Uani 1 0 .
C20 C 0.8573(2) 0.6856(2) -0.1826(3) 0.0284(11) Uani 1 0 .
C21 C 0.9080(2) 0.8310(2) -0.1905(3) 0.0354(12) Uani 1 0 .
C22 C 0.9592(2) 0.92201(17) 0.1299(3) 0.0241(10) Uani 1 0 .
C23 C 1.0299(3) 0.9568(2) 0.2752(3) 0.0348(13) Uani 1 0 .
C24 C 0.8480(2) 0.9530(2) 0.1121(3) 0.0315(13) Uani 1 0 .
P25 P 0.58625(5) 0.79264(4) 0.30137(6) 0.0167(2) Uani 1 0 .
C26 C 0.6466(2) 0.74376(18) 0.4471(3) 0.0234(10) Uani 1 0 .
C27 C 0.6390(2) 0.64492(19) 0.4116(3) 0.0297(11) Uani 1 0 .
C28 C 0.6169(2) 0.7848(2) 0.5712(3) 0.0288(12) Uani 1 0 .
C29 C 0.4438(2) 0.80022(19) 0.2728(3) 0.0251(11) Uani 1 0 .
C30 C 0.4081(2) 0.8729(2) 0.3693(3) 0.0333(13) Uani 1 0 .
C31 C 0.3963(2) 0.7137(2) 0.2599(3) 0.0284(11) Uani 1 0 .
C32 C 0.6346(2) 0.90811(17) 0.3844(3) 0.0255(10) Uani 1 0 .
C33 C 0.5918(3) 0.9650(2) 0.2881(3) 0.0335(12) Uani 1 0 .
C34 C 0.7536(3) 0.9155(2) 0.4391(4) 0.0441(13) Uani 1 0 .
P35 P 0.51032(5) 0.71965(4) -0.05598(6) 0.0167(2) Uani 1 0 .
C36 C 0.5668(2) 0.65104(17) -0.1811(3) 0.0221(10) Uani 1 0 .
C37 C 0.4951(2) 0.6195(2) -0.3273(3) 0.0288(12) Uani 1 0 .
C38 C 0.6278(2) 0.57552(19) -0.1325(3) 0.0278(12) Uani 1 0 .
C39 C 0.38215(19) 0.66835(17) -0.0887(3) 0.0205(10) Uani 1 0 .
C40 C 0.2937(2) 0.6692(2) -0.2210(3) 0.0300(11) Uani 1 0 .
C41 C 0.3926(2) 0.57645(19) -0.0715(3) 0.0284(11) Uani 1 0 .
C42 C 0.46978(19) 0.81573(16) -0.1269(3) 0.0207(10) Uani 1 0 .
C43 C 0.5659(2) 0.86811(19) -0.1077(3) 0.0276(11) Uani 1 0 .
C44 C 0.3984(2) 0.8747(2) -0.0637(3) 0.0285(12) Uani 1 0 .
Ha H 0.921(2) 0.6595(19) 0.087(3) 0.041(9) Uiso 1 0 .
Hb H 0.590(2) 0.652(2) 0.148(3) 0.042(9) Uiso 1 0 .
H1 H 1.131(2) 0.7281(18) 0.548(3) 0.022(7) Uiso 1 0 .
H2 H 1.242(2) 0.7711(19) 0.457(3) 0.026(8) Uiso 1 0 .
H3 H 1.171(2) 0.845(2) 0.424(3) 0.040(9) Uiso 1 0 .
H4 H 1.222(3) 0.846(2) 0.564(4) 0.045(10) Uiso 1 0 .
H5 H 1.066(2) 0.8515(18) 0.628(3) 0.025(8) Uiso 1 0 .
H6 H 1.007(2) 0.8610(19) 0.487(3) 0.031(8) Uiso 1 0 .
H7 H 0.969(2) 0.7964(19) 0.545(3) 0.030(8) Uiso 1 0 .
H8 H 1.1684(18) 0.6640(16) 0.253(2) 0.011(6) Uiso 1 0 .
H9 H 1.0839(19) 0.4975(17) 0.176(2) 0.013(6) Uiso 1 0 .
H10 H 1.044(2) 0.5588(17) 0.087(3) 0.020(7) Uiso 1 0 .
H11 H 1.150(3) 0.532(2) 0.118(3) 0.041(9) Uiso 1 0 .
H12 H 1.204(2) 0.551(2) 0.411(3) 0.030(8) Uiso 1 0 .
H13 H 1.285(2) 0.5674(17) 0.351(3) 0.025(7) Uiso 1 0 .
H14 H 1.2513(19) 0.6409(17) 0.469(3) 0.015(7) Uiso 1 0 .
H15 H 1.0433(19) 0.5584(15) 0.402(2) 0.011(6) Uiso 1 0 .
H16 H 0.833(2) 0.562(2) 0.232(3) 0.035(9) Uiso 1 0 .
H17 H 0.912(2) 0.519(2) 0.173(3) 0.037(9) Uiso 1 0 .
H18 H 0.885(2) 0.483(2) 0.275(3) 0.047(10) Uiso 1 0 .
H19 H 0.998(2) 0.6525(19) 0.575(3) 0.032(8) Uiso 1 0 .
H20 H 0.886(2) 0.6595(18) 0.475(3) 0.021(7) Uiso 1 0 .
H21 H 0.925(2) 0.575(2) 0.522(3) 0.038(9) Uiso 1 0 .
H22 H 1.137(2) 0.7848(17) 0.162(3) 0.018(7) Uiso 1 0 .
H23 H 1.224(2) 0.8415(19) 0.063(3) 0.035(8) Uiso 1 0 .
H24 H 1.117(2) 0.868(2) -0.031(3) 0.037(9) Uiso 1 0 .
H25 H 1.149(2) 0.9075(19) 0.105(3) 0.019(8) Uiso 1 0 .
H26 H 1.077(2) 0.6541(18) -0.011(3) 0.022(7) Uiso 1 0 .
H27 H 1.085(2) 0.7068(19) -0.107(3) 0.032(8) Uiso 1 0 .
H28 H 1.188(3) 0.690(2) 0.010(3) 0.039(9) Uiso 1 0 .
H29 H 0.814(2) 0.8054(16) -0.094(3) 0.018(7) Uiso 1 0 .
H30 H 0.837(2) 0.656(2) -0.143(3) 0.034(9) Uiso 1 0 .
H31 H 0.805(2) 0.6794(19) -0.269(3) 0.034(8) Uiso 1 0 .
H32 H 0.917(2) 0.656(2) -0.200(3) 0.036(9) Uiso 1 0 .
H33 H 0.975(2) 0.8128(19) -0.202(3) 0.031(8) Uiso 1 0 .
H34 H 0.856(2) 0.8257(18) -0.273(3) 0.028(8) Uiso 1 0 .
H35 H 0.918(2) 0.892(2) -0.152(3) 0.035(9) Uiso 1 0 .
H36 H 0.979(2) 0.9453(18) 0.074(3) 0.027(8) Uiso 1 0 .
H37 H 1.0040(19) 0.9381(17) 0.330(3) 0.015(7) Uiso 1 0 .
H38 H 1.103(2) 0.9393(18) 0.291(3) 0.028(8) Uiso 1 0 .
H39 H 1.032(2) 1.0186(19) 0.295(3) 0.021(7) Uiso 1 0 .
H40 H 0.844(2) 1.011(2) 0.135(3) 0.033(8) Uiso 1 0 .
H41 H 0.802(2) 0.9411(17) 0.018(3) 0.021(7) Uiso 1 0 .
H42 H 0.819(2) 0.9240(19) 0.149(3) 0.027(8) Uiso 1 0 .
H43 H 0.708(2) 0.7583(17) 0.465(3) 0.017(7) Uiso 1 0 .
H44 H 0.568(2) 0.6243(19) 0.383(3) 0.034(8) Uiso 1 0 .
H45 H 0.658(2) 0.615(2) 0.340(3) 0.038(9) Uiso 1 0 .
H46 H 0.677(2) 0.6247(18) 0.488(3) 0.026(7) Uiso 1 0 .
H47 H 0.6556(19) 0.7655(16) 0.636(3) 0.011(6) Uiso 1 0 .
H48 H 0.629(2) 0.851(2) 0.601(3) 0.041(9) Uiso 1 0 .
H49 H 0.545(2) 0.7791(18) 0.555(3) 0.029(8) Uiso 1 0 .
H50 H 0.420(2) 0.8136(17) 0.197(3) 0.018(7) Uiso 1 0 .
H51 H 0.428(2) 0.8650(19) 0.457(3) 0.036(9) Uiso 1 0 .
H52 H 0.432(2) 0.937(2) 0.371(3) 0.049(10) Uiso 1 0 .
H53 H 0.333(2) 0.8672(19) 0.340(3) 0.035(8) Uiso 1 0 .
H54 H 0.324(3) 0.709(2) 0.219(3) 0.050(10) Uiso 1 0 .
H55 H 0.4205(19) 0.6673(17) 0.206(3) 0.015(7) Uiso 1 0 .
H56 H 0.419(2) 0.6988(18) 0.343(3) 0.028(8) Uiso 1 0 .
H57 H 0.6117(18) 0.9269(15) 0.457(2) 0.009(6) Uiso 1 0 .
H58 H 0.611(2) 1.022(2) 0.328(3) 0.041(9) Uiso 1 0 .
H59 H 0.616(2) 0.941(2) 0.205(3) 0.039(9) Uiso 1 0 .
H60 H 0.514(2) 0.9651(18) 0.255(3) 0.030(8) Uiso 1 0 .
H61 H 0.784(2) 0.893(2) 0.512(3) 0.040(9) Uiso 1 0 .
H62 H 0.781(3) 0.882(2) 0.356(4) 0.065(12) Uiso 1 0 .
H63 H 0.773(2) 0.969(2) 0.470(3) 0.031(9) Uiso 1 0 .
H64 H 0.614(2) 0.6897(18) -0.173(3) 0.026(8) Uiso 1 0 .
H65 H 0.453(2) 0.6654(19) -0.352(3) 0.025(8) Uiso 1 0 .
H66 H 0.531(2) 0.5979(18) -0.381(3) 0.026(8) Uiso 1 0 .
H67 H 0.445(2) 0.572(2) -0.339(3) 0.037(9) Uiso 1 0 .
H68 H 0.584(2) 0.5348(17) -0.133(2) 0.014(7) Uiso 1 0 .
H69 H 0.665(2) 0.5468(19) -0.189(3) 0.034(8) Uiso 1 0 .
H70 H 0.680(2) 0.593(2) -0.037(3) 0.039(9) Uiso 1 0 .
H71 H 0.3619(18) 0.7020(16) -0.024(2) 0.010(6) Uiso 1 0 .
H72 H 0.282(2) 0.7292(19) -0.238(3) 0.025(7) Uiso 1 0 .
H73 H 0.309(2) 0.6270(18) -0.294(3) 0.023(7) Uiso 1 0 .
H74 H 0.228(2) 0.6531(19) -0.214(3) 0.034(8) Uiso 1 0 .
H75 H 0.334(2) 0.5595(18) -0.059(3) 0.026(8) Uiso 1 0 .
H76 H 0.409(2) 0.536(2) -0.143(3) 0.034(8) Uiso 1 0 .
H77 H 0.450(2) 0.5708(17) 0.004(3) 0.020(7) Uiso 1 0 .
H78 H 0.4380(18) 0.7935(15) -0.220(2) 0.008(6) Uiso 1 0 .
H79 H 0.606(2) 0.8341(19) -0.158(3) 0.029(8) Uiso 1 0 .
H80 H 0.543(2) 0.916(2) -0.152(3) 0.044(9) Uiso 1 0 .
H81 H 0.609(2) 0.8842(18) -0.010(3) 0.031(8) Uiso 1 0 .
H82 H 0.433(2) 0.8960(18) 0.030(3) 0.028(8) Uiso 1 0 .
H83 H 0.3796(19) 0.9245(17) -0.103(3) 0.017(7) Uiso 1 0 .
H84 H 0.347(2) 0.8451(19) -0.077(3) 0.025(8) Uiso 1 0 .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
RU Ru -1.42 0.836 'International Tables Vol. IV (1974) Table 2.2B'
P P 0.09 0.095 'International Tables Vol. IV (1974) Table 2.2B'
F F 0.014 0.01 'International Tables Vol. IV (1974) Table 2.2B'
C C 0.002 0.002 'International Tables Vol. IV (1974) Table 2.2B'
H H 0 0 'International Tables Vol. IV (1974) Table 2.2B'
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P5 Ru1 P15 106.58(3) . . . no
P5 Ru1 F3 92.50(5) . . . no
P5 Ru1 F4 166.40(4) . . . no
P5 Ru1 Ha 80.2(11) . . . no
P15 Ru1 F3 153.93(5) . . . no
P15 Ru1 F4 87.02(5) . . . no
P15 Ru1 Ha 80.2(12) . . . no
F3 Ru1 F4 74.58(6) . . . no
F3 Ru1 Ha 121.3(12) . . . no
F4 Ru1 Ha 102.7(11) . . . no
P25 Ru2 P35 107.36(3) . . . no
P25 Ru2 F3 90.90(5) . . . no
P25 Ru2 F4 135.23(6) . . . no
P25 Ru2 Hb 78.9(11) . . . no
P35 Ru2 F3 161.73(5) . . . no
P35 Ru2 F4 92.58(5) . . . no
P35 Ru2 Hb 84.7(11) . . . no
F3 Ru2 F4 74.20(6) . . . no
F3 Ru2 Hb 98.6(11) . . . no
F4 Ru2 Hb 144.1(11) . . . no
Ru1 P5 C6 118.48(9) . . . no
Ru1 P5 C9 122.55(8) . . . no
Ru1 P5 C12 110.13(9) . . . no
C6 P5 C9 100.88(12) . . . no
C6 P5 C12 102.13(12) . . . no
C9 P5 C12 99.37(12) . . . no
Ru1 P15 C16 123.85(9) . . . no
Ru1 P15 C19 109.38(9) . . . no
Ru1 P15 C22 112.36(9) . . . no
C16 P15 C19 106.95(12) . . . no
C16 P15 C22 101.51(13) . . . no
C19 P15 C22 100.03(12) . . . no
Ru2 P25 C26 110.65(9) . . . no
Ru2 P25 C29 121.82(9) . . . no
Ru2 P25 C32 112.44(9) . . . no
C26 P25 C29 106.91(13) . . . no
C26 P25 C32 99.97(12) . . . no
C29 P25 C32 102.61(13) . . . no
Ru2 P35 C36 101.54(9) . . . no
Ru2 P35 C39 122.09(8) . . . no
Ru2 P35 C42 120.54(9) . . . no
C36 P35 C39 107.54(12) . . . no
C36 P35 C42 100.41(12) . . . no
C39 P35 C42 102.07(12) . . . no
Ru1 F3 Ru2 104.20(6) . . . no
Ru1 F4 Ru2 104.74(6) . . . no
P5 C6 C7 113.23(19) . . . no
P5 C6 C8 111.00(19) . . . no
P5 C6 H1 109.1(18) . . . no
C7 C6 C8 109.1(2) . . . no
C7 C6 H1 107.7(18) . . . no
C8 C6 H1 106.5(18) . . . no
C6 C7 H2 112.6(17) . . . no
C6 C7 H3 114.5(18) . . . no
C6 C7 H4 110(2) . . . no
H2 C7 H3 104(2) . . . no
H2 C7 H4 112(3) . . . no
H3 C7 H4 103(3) . . . no
C6 C8 H5 109.9(17) . . . no
C6 C8 H6 109.6(17) . . . no
C6 C8 H7 116.6(17) . . . no
H5 C8 H6 110(2) . . . no
H5 C8 H7 104(2) . . . no
H6 C8 H7 106(2) . . . no
P5 C9 C10 111.98(19) . . . no
P5 C9 C11 116.42(18) . . . no
P5 C9 H8 103.8(15) . . . no
C10 C9 C11 108.6(2) . . . no
C10 C9 H8 108.0(16) . . . no
C11 C9 H8 107.6(15) . . . no
C9 C10 H9 111.7(15) . . . no
C9 C10 H10 112.8(17) . . . no
C9 C10 H11 109(2) . . . no
H9 C10 H10 108(2) . . . no
H9 C10 H11 108(2) . . . no
H10 C10 H11 107(3) . . . no
C9 C11 H12 112.4(18) . . . no
C9 C11 H13 109.4(15) . . . no
C9 C11 H14 111.5(15) . . . no
H12 C11 H13 105(2) . . . no
H12 C11 H14 105(2) . . . no
H13 C11 H14 113(2) . . . no
P5 C12 C13 111.9(2) . . . no
P5 C12 C14 116.1(2) . . . no
P5 C12 H15 104.2(14) . . . no
C13 C12 C14 109.3(2) . . . no
C13 C12 H15 107.6(14) . . . no
C14 C12 H15 107.1(14) . . . no
C12 C13 H16 114.8(19) . . . no
C12 C13 H17 112.9(17) . . . no
C12 C13 H18 113(2) . . . no
H16 C13 H17 103(2) . . . no
H16 C13 H18 108(3) . . . no
H17 C13 H18 105(3) . . . no
C12 C14 H19 114.9(18) . . . no
C12 C14 H20 110.1(16) . . . no
C12 C14 H21 112.5(17) . . . no
H19 C14 H20 112(2) . . . no
H19 C14 H21 101(2) . . . no
H20 C14 H21 106(2) . . . no
P15 C16 C17 118.6(2) . . . no
P15 C16 C18 111.1(2) . . . no
P15 C16 H22 101.4(16) . . . no
C17 C16 C18 109.2(3) . . . no
C17 C16 H22 108.4(17) . . . no
C18 C16 H22 107.2(17) . . . no
C16 C17 H23 104.2(18) . . . no
C16 C17 H24 109.4(19) . . . no
C16 C17 H25 108.5(19) . . . no
H23 C17 H24 115(3) . . . no
H23 C17 H25 116(3) . . . no
H24 C17 H25 104(3) . . . no
C16 C18 H26 112.4(16) . . . no
C16 C18 H27 106.9(17) . . . no
C16 C18 H28 107.4(19) . . . no
H26 C18 H27 107(2) . . . no
H26 C18 H28 111(2) . . . no
H27 C18 H28 112(2) . . . no
P15 C19 C20 114.63(19) . . . no
P15 C19 C21 116.34(19) . . . no
P15 C19 H29 98.8(15) . . . no
C20 C19 C21 110.3(2) . . . no
C20 C19 H29 108.2(15) . . . no
C21 C19 H29 107.4(15) . . . no
C19 C20 H30 114(2) . . . no
C19 C20 H31 110.6(18) . . . no
C19 C20 H32 114.1(18) . . . no
H30 C20 H31 107(3) . . . no
H30 C20 H32 105(3) . . . no
H31 C20 H32 105(2) . . . no
C19 C21 H33 111.8(17) . . . no
C19 C21 H34 111.4(17) . . . no
C19 C21 H35 114.4(18) . . . no
H33 C21 H34 111(2) . . . no
H33 C21 H35 104(2) . . . no
H34 C21 H35 104(2) . . . no
P15 C22 C23 110.82(19) . . . no
P15 C22 C24 112.89(19) . . . no
P15 C22 H36 108.0(18) . . . no
C23 C22 C24 110.0(3) . . . no
C23 C22 H36 110.5(18) . . . no
C24 C22 H36 104.4(17) . . . no
C22 C23 H37 109.1(16) . . . no
C22 C23 H38 113.0(16) . . . no
C22 C23 H39 107.7(16) . . . no
H37 C23 H38 110(2) . . . no
H37 C23 H39 112(2) . . . no
H38 C23 H39 105(2) . . . no
C22 C24 H40 112.8(19) . . . no
C22 C24 H41 113.1(16) . . . no
C22 C24 H42 109.2(19) . . . no
H40 C24 H41 99(2) . . . no
H40 C24 H42 117(3) . . . no
H41 C24 H42 105(2) . . . no
P25 C26 C27 115.10(19) . . . no
P25 C26 C28 115.49(19) . . . no
P25 C26 H43 97.8(18) . . . no
C27 C26 C28 111.3(2) . . . no
C27 C26 H43 107.9(18) . . . no
C28 C26 H43 107.8(18) . . . no
C26 C27 H44 111.3(18) . . . no
C26 C27 H45 116.7(19) . . . no
C26 C27 H46 110.3(17) . . . no
H44 C27 H45 102(3) . . . no
H44 C27 H46 106(2) . . . no
H45 C27 H46 109(2) . . . no
C26 C28 H47 109.0(17) . . . no
C26 C28 H48 111.4(17) . . . no
C26 C28 H49 113.5(17) . . . no
H47 C28 H48 107(2) . . . no
H47 C28 H49 114(2) . . . no
H48 C28 H49 102(2) . . . no
P25 C29 C30 118.3(2) . . . no
P25 C29 C31 111.65(19) . . . no
P25 C29 H50 101.2(17) . . . no
C30 C29 C31 109.6(2) . . . no
C30 C29 H50 104.9(18) . . . no
C31 C29 H50 110.5(18) . . . no
C29 C30 H51 113.0(18) . . . no
C29 C30 H52 112.1(17) . . . no
C29 C30 H53 107.3(18) . . . no
H51 C30 H52 112(2) . . . no
H51 C30 H53 101(2) . . . no
H52 C30 H53 111(2) . . . no
C29 C31 H54 115(2) . . . no
C29 C31 H55 111.6(15) . . . no
C29 C31 H56 111.8(17) . . . no
H54 C31 H55 104(2) . . . no
H54 C31 H56 112(3) . . . no
H55 C31 H56 101(2) . . . no
P25 C32 C33 111.23(19) . . . no
P25 C32 C34 111.8(2) . . . no
P25 C32 H57 106.4(15) . . . no
C33 C32 C34 109.3(3) . . . no
C33 C32 H57 110.1(15) . . . no
C34 C32 H57 107.9(14) . . . no
C32 C33 H58 112(2) . . . no
C32 C33 H59 108.8(16) . . . no
C32 C33 H60 111.6(16) . . . no
H58 C33 H59 111(3) . . . no
H58 C33 H60 103(2) . . . no
H59 C33 H60 109(2) . . . no
C32 C34 H61 114(2) . . . no
C32 C34 H62 107.7(18) . . . no
C32 C34 H63 110(2) . . . no
H61 C34 H62 110(3) . . . no
H61 C34 H63 103(3) . . . no
H62 C34 H63 112(3) . . . no
P35 C36 C37 118.19(19) . . . no
P35 C36 C38 112.17(18) . . . no
P35 C36 H64 98.2(18) . . . no
C37 C36 C38 110.4(2) . . . no
C37 C36 H64 110.5(18) . . . no
C38 C36 H64 106.1(18) . . . no
C36 C37 H65 109.1(17) . . . no
C36 C37 H66 111.2(18) . . . no
C36 C37 H67 111.1(17) . . . no
H65 C37 H66 112(2) . . . no
H65 C37 H67 105(2) . . . no
H66 C37 H67 107(2) . . . no
C36 C38 H68 111.1(16) . . . no
C36 C38 H69 111.5(17) . . . no
C36 C38 H70 114.1(17) . . . no
H68 C38 H69 107(2) . . . no
H68 C38 H70 106(2) . . . no
H69 C38 H70 107(2) . . . no
P35 C39 C40 117.71(18) . . . no
P35 C39 C41 112.43(18) . . . no
P35 C39 H71 102.7(15) . . . no
C40 C39 C41 109.3(2) . . . no
C40 C39 H71 105.7(15) . . . no
C41 C39 H71 108.1(15) . . . no
C39 C40 H72 113.6(15) . . . no
C39 C40 H73 107.8(16) . . . no
C39 C40 H74 108.2(17) . . . no
H72 C40 H73 112(2) . . . no
H72 C40 H74 105(2) . . . no
H73 C40 H74 111(2) . . . no
C39 C41 H75 110.6(17) . . . no
C39 C41 H76 112.0(18) . . . no
C39 C41 H77 113.0(16) . . . no
H75 C41 H76 113(2) . . . no
H75 C41 H77 107(2) . . . no
H76 C41 H77 101(2) . . . no
P35 C42 C43 110.15(17) . . . no
P35 C42 C44 112.35(18) . . . no
P35 C42 H78 106.4(14) . . . no
C43 C42 C44 109.8(2) . . . no
C43 C42 H78 105.3(14) . . . no
C44 C42 H78 112.5(14) . . . no
C42 C43 H79 110.7(17) . . . no
C42 C43 H80 108.9(18) . . . no
C42 C43 H81 107.9(16) . . . no
H79 C43 H80 102(2) . . . no
H79 C43 H81 109(2) . . . no
H80 C43 H81 118(2) . . . no
C42 C44 H82 110.0(17) . . . no
C42 C44 H83 109.9(15) . . . no
C42 C44 H84 107(2) . . . no
H82 C44 H83 108(2) . . . no
H82 C44 H84 109(3) . . . no
H83 C44 H84 112(2) . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 P5 2.2385(7) . . no
Ru1 P15 2.2276(7) . . no
Ru1 F3 2.1130(15) . . no
Ru1 F4 2.1121(15) . . no
Ru1 Ha 1.44(3) . . no
Ru2 P25 2.1891(7) . . no
Ru2 P35 2.2394(7) . . no
Ru2 F3 2.1292(15) . . no
Ru2 F4 2.1148(15) . . no
Ru2 Hb 1.56(3) . . no
P5 C6 1.866(3) . . no
P5 C9 1.877(3) . . no
P5 C12 1.888(3) . . no
P15 C16 1.878(3) . . no
P15 C19 1.875(3) . . no
P15 C22 1.871(3) . . no
P25 C26 1.877(3) . . no
P25 C29 1.871(3) . . no
P25 C32 1.873(3) . . no
P35 C36 1.882(3) . . no
P35 C39 1.869(3) . . no
P35 C42 1.872(2) . . no
C6 C7 1.524(4) . . no
C6 C8 1.520(4) . . no
C6 H1 0.87(3) . . no
C7 H2 0.96(3) . . no
C7 H3 0.96(3) . . no
C7 H4 0.88(3) . . no
C8 H5 0.91(3) . . no
C8 H6 0.95(3) . . no
C8 H7 1.00(3) . . no
C9 C10 1.522(4) . . no
C9 C11 1.529(4) . . no
C9 H8 0.90(2) . . no
C10 H9 0.96(3) . . no
C10 H10 0.91(3) . . no
C10 H11 0.89(3) . . no
C11 H12 0.91(3) . . no
C11 H13 1.03(3) . . no
C11 H14 0.98(3) . . no
C12 C13 1.532(4) . . no
C12 C14 1.521(4) . . no
C12 H15 0.99(2) . . no
C13 H16 0.92(3) . . no
C13 H17 1.00(3) . . no
C13 H18 0.96(3) . . no
C14 H19 0.92(3) . . no
C14 H20 0.97(3) . . no
C14 H21 1.01(3) . . no
C16 C17 1.528(4) . . no
C16 C18 1.525(4) . . no
C16 H22 0.90(3) . . no
C17 H23 0.95(3) . . no
C17 H24 0.92(3) . . no
C17 H25 0.84(3) . . no
C18 H26 0.97(3) . . no
C18 H27 0.97(3) . . no
C18 H28 0.96(3) . . no
C19 C20 1.518(4) . . no
C19 C21 1.535(4) . . no
C19 H29 0.99(3) . . no
C20 H30 0.85(3) . . no
C20 H31 0.95(3) . . no
C20 H32 0.97(3) . . no
C21 H33 0.99(3) . . no
C21 H34 0.92(3) . . no
C21 H35 0.95(3) . . no
C22 C23 1.518(4) . . no
C22 C24 1.536(4) . . no
C22 H36 0.92(3) . . no
C23 H37 0.92(3) . . no
C23 H38 0.99(3) . . no
C23 H39 0.95(3) . . no
C24 H40 0.90(3) . . no
C24 H41 0.97(3) . . no
C24 H42 0.88(3) . . no
C26 C27 1.524(4) . . no
C26 C28 1.531(4) . . no
C26 H43 0.83(3) . . no
C27 H44 0.97(3) . . no
C27 H45 0.92(3) . . no
C27 H46 0.95(3) . . no
C28 H47 0.85(3) . . no
C28 H48 1.03(3) . . no
C28 H49 0.95(3) . . no
C29 C30 1.534(4) . . no
C29 C31 1.519(4) . . no
C29 H50 0.86(3) . . no
C30 H51 0.95(3) . . no
C30 H52 1.09(3) . . no
C30 H53 0.97(3) . . no
C31 H54 0.93(3) . . no
C31 H55 0.94(3) . . no
C31 H56 0.94(3) . . no
C32 C33 1.519(4) . . no
C32 C34 1.530(4) . . no
C32 H57 0.93(2) . . no
C33 H58 0.91(3) . . no
C33 H59 1.06(3) . . no
C33 H60 1.00(3) . . no
C34 H61 0.92(3) . . no
C34 H62 1.10(4) . . no
C34 H63 0.85(3) . . no
C36 C37 1.524(4) . . no
C36 C38 1.530(4) . . no
C36 H64 0.89(3) . . no
C37 H65 0.94(3) . . no
C37 H66 0.89(3) . . no
C37 H67 1.01(3) . . no
C38 H68 0.91(3) . . no
C38 H69 0.95(3) . . no
C38 H70 1.02(3) . . no
C39 C40 1.534(4) . . no
C39 C41 1.523(4) . . no
C39 H71 0.89(2) . . no
C40 H72 1.02(3) . . no
C40 H73 0.98(3) . . no
C40 H74 0.99(3) . . no
C41 H75 0.93(3) . . no
C41 H76 0.95(3) . . no
C41 H77 0.94(3) . . no
C42 C43 1.532(4) . . no
C42 C44 1.532(4) . . no
C42 H78 0.94(2) . . no
C43 H79 0.96(3) . . no
C43 H80 0.98(3) . . no
C43 H81 1.00(3) . . no
C44 H82 0.94(3) . . no
C44 H83 0.98(3) . . no
C44 H84 0.82(3) . . no
