#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:25:15 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179789 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/85/7008586.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_7008586
loop_
_publ_author_name
'Di Vaira, Massimo'
'Frediani, Piero'
'Costantini, Stefano Seniori'
'Peruzzini, Maurizio'
'Stoppioni, Piero'
_publ_section_title
;
 Easy hydrolysis of white phosphorus coordinated to ruthenium.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2234
_journal_page_last               2236
_journal_paper_doi               10.1039/b504795a
_journal_year                    2005
_chemical_formula_moiety         'C41 H38 P3 Ru +, P1 F6 -'
_chemical_formula_sum            'C41 H38 F6 P4 Ru'
_chemical_formula_weight         869.66
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 95.950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1070(10)
_cell_length_b                   18.603(2)
_cell_length_c                   20.228(3)
_cell_measurement_reflns_used    3179
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      5.0
_cell_volume                     3782.8(8)
_computing_cell_refinement       'Oxford Diffraction software'
_computing_data_collection       'Oxford Diffraction software'
_computing_data_reduction        'Oxford Diffraction software'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Giacovazzo et al., 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.897
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_device_type  'Oxford Diffraction CCD diffractometer'
_diffrn_measurement_method       'ω 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  0.0242
_diffrn_reflns_av_sigmaI/netI    0.0378
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            31410
_diffrn_reflns_theta_full        32.39
_diffrn_reflns_theta_max         32.39
_diffrn_reflns_theta_min         4.20
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.643
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.847
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1986)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'elongated prism'
_exptl_crystal_F_000             1768
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.103
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         12180
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0548
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1079P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1557
_refine_ls_wR_factor_ref         0.1731
_reflns_number_gt                8354
_reflns_number_total             12180
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b504795a.txt
_cod_data_source_block           ruph3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7008586
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ru Ru 0.17338(2) 0.205285(12) 0.367660(11) 0.03749(9) Uani 1 1 d . . .
P1 P 0.23378(10) 0.12596(5) 0.45151(4) 0.0508(2) Uani 1 1 d D . .
H1P H 0.314(3) 0.135(2) 0.5035(15) 0.089(8) Uiso 1 1 d D . .
H2P H 0.282(3) 0.0652(15) 0.438(2) 0.089(8) Uiso 1 1 d D . .
H3P H 0.143(3) 0.099(2) 0.4829(16) 0.089(8) Uiso 1 1 d D . .
P2 P 0.35733(7) 0.17022(4) 0.31255(4) 0.03740(16) Uani 1 1 d . . .
P3 P 0.26026(8) 0.30655(4) 0.42500(4) 0.03883(16) Uani 1 1 d . . .
C11 C 0.4946(3) 0.11978(16) 0.35779(15) 0.0415(6) Uani 1 1 d . . .
C12 C 0.5416(3) 0.14094(18) 0.42148(16) 0.0512(7) Uani 1 1 d . . .
H12 H 0.5009 0.1791 0.4411 0.061 Uiso 1 1 calc R . .
C13 C 0.6484(4) 0.1062(2) 0.45671(18) 0.0614(9) Uani 1 1 d . . .
H13 H 0.6779 0.1207 0.4997 0.074 Uiso 1 1 calc R . .
C14 C 0.7102(4) 0.0504(2) 0.42783(19) 0.0603(9) Uani 1 1 d . . .
H14 H 0.7811 0.0267 0.4513 0.072 Uiso 1 1 calc R . .
C15 C 0.6670(4) 0.0300(2) 0.36437(18) 0.0610(9) Uani 1 1 d . . .
H15 H 0.7106 -0.0068 0.3443 0.073 Uiso 1 1 calc R . .
C16 C 0.5590(4) 0.0635(2) 0.32973(18) 0.0578(8) Uani 1 1 d . . .
H16 H 0.5292 0.0481 0.2870 0.069 Uiso 1 1 calc R . .
C21 C 0.3129(3) 0.10652(17) 0.24450(15) 0.0435(6) Uani 1 1 d . . .
C22 C 0.2427(4) 0.04504(19) 0.25757(18) 0.0564(8) Uani 1 1 d . . .
H22 H 0.2134 0.0390 0.2993 0.068 Uiso 1 1 calc R . .
C23 C 0.2156(4) -0.0069(2) 0.2101(2) 0.0711(11) Uani 1 1 d . . .
H23 H 0.1707 -0.0486 0.2199 0.085 Uiso 1 1 calc R . .
C24 C 0.2564(5) 0.0035(2) 0.1463(2) 0.0728(11) Uani 1 1 d . . .
H24 H 0.2363 -0.0305 0.1131 0.087 Uiso 1 1 calc R . .
C25 C 0.3250(4) 0.0633(3) 0.13395(17) 0.0661(11) Uani 1 1 d . . .
H25 H 0.3538 0.0695 0.0921 0.079 Uiso 1 1 calc R . .
C26 C 0.3533(3) 0.11529(19) 0.18151(16) 0.0516(7) Uani 1 1 d . . .
H26 H 0.3996 0.1564 0.1715 0.062 Uiso 1 1 calc R . .
C31 C 0.4445(3) 0.24020(17) 0.27054(15) 0.0449(6) Uani 1 1 d . . .
C32 C 0.3697(4) 0.28763(18) 0.2296(2) 0.0592(9) Uani 1 1 d . . .
H32 H 0.2775 0.2839 0.2252 0.071 Uiso 1 1 calc R . .
C33 C 0.4291(5) 0.3405(2) 0.1949(2) 0.0778(12) Uani 1 1 d . . .
H33 H 0.3774 0.3713 0.1667 0.093 Uiso 1 1 calc R . .
C34 C 0.5647(5) 0.3473(2) 0.2023(2) 0.0821(13) Uani 1 1 d . . .
H34 H 0.6050 0.3841 0.1805 0.098 Uiso 1 1 calc R . .
C35 C 0.6414(5) 0.3002(3) 0.2419(2) 0.0773(13) Uani 1 1 d . . .
H35 H 0.7335 0.3044 0.2463 0.093 Uiso 1 1 calc R . .
C36 C 0.5815(4) 0.2464(2) 0.27527(19) 0.0629(9) Uani 1 1 d . . .
H36 H 0.6341 0.2139 0.3013 0.076 Uiso 1 1 calc R . .
C41 C 0.2662(3) 0.39473(16) 0.38317(15) 0.0439(6) Uani 1 1 d . . .
C42 C 0.2034(4) 0.4073(2) 0.32137(18) 0.0578(8) Uani 1 1 d . . .
H42 H 0.1609 0.3699 0.2971 0.069 Uiso 1 1 calc R . .
C43 C 0.2029(5) 0.4770(2) 0.2943(2) 0.0733(11) Uani 1 1 d . . .
H43 H 0.1586 0.4854 0.2524 0.088 Uiso 1 1 calc R . .
C44 C 0.2649(4) 0.5312(2) 0.3279(2) 0.0741(12) Uani 1 1 d . . .
H44 H 0.2654 0.5767 0.3089 0.089 Uiso 1 1 calc R . .
C45 C 0.3285(4) 0.5195(2) 0.3907(2) 0.0673(10) Uani 1 1 d . . .
H45 H 0.3710 0.5574 0.4142 0.081 Uiso 1 1 calc R . .
C46 C 0.3292(4) 0.45232(19) 0.4187(2) 0.0575(8) Uani 1 1 d . . .
H46 H 0.3713 0.4449 0.4613 0.069 Uiso 1 1 calc R . .
C51 C 0.1528(3) 0.32958(16) 0.49024(15) 0.0434(6) Uani 1 1 d . . .
C52 C 0.1407(4) 0.28371(18) 0.54350(17) 0.0516(8) Uani 1 1 d . . .
H52 H 0.1853 0.2399 0.5455 0.062 Uiso 1 1 calc R . .
C53 C 0.0638(4) 0.30181(19) 0.59352(18) 0.0564(8) Uani 1 1 d . . .
H53 H 0.0600 0.2713 0.6297 0.068 Uiso 1 1 calc R . .
C54 C -0.0067(4) 0.3643(2) 0.5900(2) 0.0608(9) Uani 1 1 d . . .
H54 H -0.0559 0.3773 0.6245 0.073 Uiso 1 1 calc R . .
C55 C -0.0049(4) 0.4079(2) 0.5358(2) 0.0657(10) Uani 1 1 d . . .
H55 H -0.0585 0.4486 0.5316 0.079 Uiso 1 1 calc R . .
C56 C 0.0767(3) 0.39138(19) 0.48718(19) 0.0558(8) Uani 1 1 d . . .
H56 H 0.0805 0.4226 0.4515 0.067 Uiso 1 1 calc R . .
C61 C 0.4302(3) 0.30539(15) 0.46603(16) 0.0445(7) Uani 1 1 d . . .
C62 C 0.4634(4) 0.28182(19) 0.53144(18) 0.0572(8) Uani 1 1 d . . .
H62 H 0.3967 0.2714 0.5584 0.069 Uiso 1 1 calc R . .
C63 C 0.5938(5) 0.2741(2) 0.5556(2) 0.0750(12) Uani 1 1 d . . .
H63 H 0.6151 0.2576 0.5988 0.090 Uiso 1 1 calc R . .
C64 C 0.6947(5) 0.2904(2) 0.5169(3) 0.0828(15) Uani 1 1 d . . .
H64 H 0.7832 0.2848 0.5338 0.099 Uiso 1 1 calc R . .
C65 C 0.6638(4) 0.3144(2) 0.4542(3) 0.0732(12) Uani 1 1 d . . .
H65 H 0.7319 0.3255 0.4283 0.088 Uiso 1 1 calc R . .
C66 C 0.5324(3) 0.3229(2) 0.4277(2) 0.0591(9) Uani 1 1 d . . .
H66 H 0.5128 0.3401 0.3847 0.071 Uiso 1 1 calc R . .
C71 C -0.0379(4) 0.2049(2) 0.3868(2) 0.0674(11) Uani 1 1 d . . .
H71 H -0.0630 0.2048 0.4297 0.081 Uiso 1 1 calc R . .
C72 C -0.0165(3) 0.2652(2) 0.34860(19) 0.0578(8) Uani 1 1 d . . .
H72 H -0.0260 0.3127 0.3617 0.069 Uiso 1 1 calc R . .
C73 C 0.0215(3) 0.2428(2) 0.28734(19) 0.0600(9) Uani 1 1 d . . .
H73 H 0.0425 0.2727 0.2531 0.072 Uiso 1 1 calc R . .
C74 C 0.0224(3) 0.1673(2) 0.2864(2) 0.0644(10) Uani 1 1 d . . .
H74 H 0.0434 0.1384 0.2515 0.077 Uiso 1 1 calc R . .
C75 C -0.0140(4) 0.1433(2) 0.3475(3) 0.0719(11) Uani 1 1 d . . .
H75 H -0.0213 0.0956 0.3603 0.086 Uiso 1 1 calc R . .
P4 P -0.04941(9) 0.40279(5) 0.11755(5) 0.0544(2) Uani 1 1 d . . .
F1 F 0.0983(3) 0.37190(19) 0.12642(19) 0.1171(12) Uani 1 1 d . . .
F2 F -0.0126(5) 0.4618(4) 0.1671(3) 0.225(4) Uani 1 1 d . . .
F3 F -0.1959(2) 0.43400(14) 0.10920(14) 0.0825(7) Uani 1 1 d . . .
F4 F -0.0719(4) 0.3582(3) 0.05460(19) 0.1517(19) Uani 1 1 d . . .
F5 F -0.0087(6) 0.4621(3) 0.0695(4) 0.220(3) Uani 1 1 d . . .
F6 F -0.0875(5) 0.3489(4) 0.1638(4) 0.291(5) 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'
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'
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
C71 Ru C75 37.69(16) . . ?
C71 Ru C72 36.62(15) . . ?
C75 Ru C72 61.50(16) . . ?
C71 Ru C73 61.51(15) . . ?
C75 Ru C73 61.20(16) . . ?
C72 Ru C73 36.66(14) . . ?
C71 Ru C74 61.94(16) . . ?
C75 Ru C74 36.55(16) . . ?
C72 Ru C74 61.28(14) . . ?
C73 Ru C74 36.66(16) . . ?
C71 Ru P1 93.27(12) . . ?
C75 Ru P1 87.60(12) . . ?
C72 Ru P1 127.87(11) . . ?
C73 Ru P1 148.75(11) . . ?
C74 Ru P1 116.79(12) . . ?
C71 Ru P3 103.65(12) . . ?
C75 Ru P3 141.31(13) . . ?
C72 Ru P3 87.41(10) . . ?
C73 Ru P3 107.75(11) . . ?
C74 Ru P3 144.31(12) . . ?
P1 Ru P3 95.43(3) . . ?
C71 Ru P2 154.98(12) . . ?
C75 Ru P2 117.98(13) . . ?
C72 Ru P2 140.13(11) . . ?
C73 Ru P2 105.03(10) . . ?
C74 Ru P2 94.39(10) . . ?
P1 Ru P2 90.53(3) . . ?
P3 Ru P2 100.59(3) . . ?
Ru P1 H1P 129.0(19) . . ?
Ru P1 H2P 120.0(19) . . ?
H1P P1 H2P 93.8(16) . . ?
Ru P1 H3P 118.4(19) . . ?
H1P P1 H3P 93.8(16) . . ?
H2P P1 H3P 93.8(16) . . ?
C31 P2 C21 101.71(14) . . ?
C31 P2 C11 102.68(14) . . ?
C21 P2 C11 99.03(13) . . ?
C31 P2 Ru 117.65(10) . . ?
C21 P2 Ru 112.93(10) . . ?
C11 P2 Ru 119.84(10) . . ?
C61 P3 C51 105.85(15) . . ?
C61 P3 C41 98.31(14) . . ?
C51 P3 C41 99.83(14) . . ?
C61 P3 Ru 120.20(9) . . ?
C51 P3 Ru 108.89(10) . . ?
C41 P3 Ru 121.10(11) . . ?
C12 C11 C16 117.8(3) . . ?
C12 C11 P2 119.1(2) . . ?
C16 C11 P2 123.0(2) . . ?
C11 C12 C13 121.2(3) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 H12 119.4 . . ?
C14 C13 C12 119.8(3) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C15 C14 C13 119.7(3) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C16 120.6(3) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C15 C16 C11 120.9(3) . . ?
C15 C16 H16 119.6 . . ?
C11 C16 H16 119.6 . . ?
C22 C21 C26 118.5(3) . . ?
C22 C21 P2 118.7(2) . . ?
C26 C21 P2 122.7(3) . . ?
C23 C22 C21 121.2(3) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C22 C23 C24 119.2(4) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C25 C24 C23 119.4(3) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C24 C25 C26 121.7(4) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 H25 119.2 . . ?
C25 C26 C21 120.0(3) . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
C32 C31 C36 118.0(3) . . ?
C32 C31 P2 118.3(2) . . ?
C36 C31 P2 123.6(3) . . ?
C31 C32 C33 121.3(4) . . ?
C31 C32 H32 119.3 . . ?
C33 C32 H32 119.3 . . ?
C34 C33 C32 119.5(4) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C33 C34 C35 120.2(4) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C34 C35 C36 120.0(4) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 120.8(4) . . ?
C35 C36 H36 119.6 . . ?
C31 C36 H36 119.6 . . ?
C42 C41 C46 118.8(3) . . ?
C42 C41 P3 122.5(3) . . ?
C46 C41 P3 118.4(3) . . ?
C41 C42 C43 119.8(4) . . ?
C41 C42 H42 120.1 . . ?
C43 C42 H42 120.1 . . ?
C44 C43 C42 121.1(4) . . ?
C44 C43 H43 119.5 . . ?
C42 C43 H43 119.5 . . ?
C43 C44 C45 119.8(4) . . ?
C43 C44 H44 120.1 . . ?
C45 C44 H44 120.1 . . ?
C46 C45 C44 120.4(4) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C45 C46 C41 120.0(4) . . ?
C45 C46 H46 120.0 . . ?
C41 C46 H46 120.0 . . ?
C56 C51 C52 116.9(3) . . ?
C56 C51 P3 121.9(2) . . ?
C52 C51 P3 121.2(2) . . ?
C53 C52 C51 121.3(3) . . ?
C53 C52 H52 119.3 . . ?
C51 C52 H52 119.3 . . ?
C54 C53 C52 120.1(3) . . ?
C54 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C54 C55 119.9(3) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 C56 119.9(4) . . ?
C54 C55 H55 120.1 . . ?
C56 C55 H55 120.1 . . ?
C51 C56 C55 121.6(3) . . ?
C51 C56 H56 119.2 . . ?
C55 C56 H56 119.2 . . ?
C66 C61 C62 118.6(3) . . ?
C66 C61 P3 117.4(3) . . ?
C62 C61 P3 123.7(3) . . ?
C63 C62 C61 120.0(4) . . ?
C63 C62 H62 120.0 . . ?
C61 C62 H62 120.0 . . ?
C62 C63 C64 121.0(4) . . ?
C62 C63 H63 119.5 . . ?
C64 C63 H63 119.5 . . ?
C65 C64 C63 119.5(4) . . ?
C65 C64 H64 120.2 . . ?
C63 C64 H64 120.2 . . ?
C64 C65 C66 121.2(4) . . ?
C64 C65 H65 119.4 . . ?
C66 C65 H65 119.4 . . ?
C65 C66 C61 119.6(4) . . ?
C65 C66 H66 120.2 . . ?
C61 C66 H66 120.2 . . ?
C72 C71 C75 107.1(4) . . ?
C72 C71 Ru 72.1(2) . . ?
C75 C71 Ru 71.5(2) . . ?
C72 C71 H71 126.5 . . ?
C75 C71 H71 126.5 . . ?
Ru C71 H71 121.7 . . ?
C71 C72 C73 108.9(4) . . ?
C71 C72 Ru 71.3(2) . . ?
C73 C72 Ru 72.0(2) . . ?
C71 C72 H72 125.6 . . ?
C73 C72 H72 125.6 . . ?
Ru C72 H72 122.7 . . ?
C72 C73 C74 108.2(4) . . ?
C72 C73 Ru 71.3(2) . . ?
C74 C73 Ru 72.0(2) . . ?
C72 C73 H73 125.9 . . ?
C74 C73 H73 125.9 . . ?
Ru C73 H73 122.5 . . ?
C75 C74 C73 107.8(3) . . ?
C75 C74 Ru 71.0(2) . . ?
C73 C74 Ru 71.30(19) . . ?
C75 C74 H74 126.1 . . ?
C73 C74 H74 126.1 . . ?
Ru C74 H74 123.3 . . ?
C74 C75 C71 108.1(4) . . ?
C74 C75 Ru 72.5(2) . . ?
C71 C75 Ru 70.8(2) . . ?
C74 C75 H75 126.0 . . ?
C71 C75 H75 126.0 . . ?
Ru C75 H75 122.4 . . ?
F6 P4 F2 97.9(5) . . ?
F6 P4 F4 97.9(5) . . ?
F2 P4 F4 164.1(4) . . ?
F6 P4 F5 178.5(5) . . ?
F2 P4 F5 80.6(4) . . ?
F4 P4 F5 83.6(4) . . ?
F6 P4 F3 90.8(2) . . ?
F2 P4 F3 88.13(18) . . ?
F4 P4 F3 93.07(17) . . ?
F5 P4 F3 88.8(2) . . ?
F6 P4 F1 89.2(2) . . ?
F2 P4 F1 91.40(19) . . ?
F4 P4 F1 87.39(18) . . ?
F5 P4 F1 91.2(3) . . ?
F3 P4 F1 179.52(17) . . ?
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
Ru C71 2.209(4) . ?
Ru C75 2.219(4) . ?
Ru C72 2.219(3) . ?
Ru C73 2.228(3) . ?
Ru C74 2.238(3) . ?
Ru P1 2.2831(9) . ?
Ru P3 2.3354(8) . ?
Ru P2 2.3568(8) . ?
P1 H1P 1.27(2) . ?
P1 H2P 1.27(2) . ?
P1 H3P 1.27(2) . ?
P2 C31 1.830(3) . ?
P2 C21 1.836(3) . ?
P2 C11 1.838(3) . ?
P3 C61 1.828(3) . ?
P3 C51 1.844(3) . ?
P3 C41 1.850(3) . ?
C11 C12 1.383(4) . ?
C11 C16 1.385(4) . ?
C12 C13 1.390(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.372(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.367(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.383(5) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C21 C22 1.386(5) . ?
C21 C26 1.387(4) . ?
C22 C23 1.371(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.408(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.347(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.373(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C32 1.381(5) . ?
C31 C36 1.383(5) . ?
C32 C33 1.381(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.369(7) . ?
C33 H33 0.9300 . ?
C34 C35 1.372(7) . ?
C34 H34 0.9300 . ?
C35 C36 1.381(5) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C41 C42 1.363(5) . ?
C41 C46 1.405(5) . ?
C42 C43 1.406(5) . ?
C42 H42 0.9300 . ?
C43 C44 1.335(6) . ?
C43 H43 0.9300 . ?
C44 C45 1.381(6) . ?
C44 H44 0.9300 . ?
C45 C46 1.372(5) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C51 C56 1.381(4) . ?
C51 C52 1.390(5) . ?
C52 C53 1.380(5) . ?
C52 H52 0.9300 . ?
C53 C54 1.361(5) . ?
C53 H53 0.9300 . ?
C54 C55 1.365(6) . ?
C54 H54 0.9300 . ?
C55 C56 1.382(5) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C61 C66 1.393(5) . ?
C61 C62 1.401(5) . ?
C62 C63 1.364(6) . ?
C62 H62 0.9300 . ?
C63 C64 1.383(8) . ?
C63 H63 0.9300 . ?
C64 C65 1.349(7) . ?
C64 H64 0.9300 . ?
C65 C66 1.389(5) . ?
C65 H65 0.9300 . ?
C66 H66 0.9300 . ?
C71 C72 1.391(6) . ?
C71 C75 1.430(6) . ?
C71 H71 0.9300 . ?
C72 C73 1.399(5) . ?
C72 H72 0.9300 . ?
C73 C74 1.405(6) . ?
C73 H73 0.9300 . ?
C74 C75 1.398(6) . ?
C74 H74 0.9300 . ?
C75 H75 0.9300 . ?
P4 F6 1.450(4) . ?
P4 F2 1.508(4) . ?
P4 F4 1.517(3) . ?
P4 F5 1.554(5) . ?
P4 F3 1.583(2) . ?
P4 F1 1.592(3) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C71 Ru P2 C31 119.3(3) . . . . ?
C75 Ru P2 C31 130.64(18) . . . . ?
C72 Ru P2 C31 52.6(2) . . . . ?
C73 Ru P2 C31 65.61(16) . . . . ?
C74 Ru P2 C31 101.28(17) . . . . ?
P1 Ru P2 C31 -141.80(12) . . . . ?
P3 Ru P2 C31 -46.18(12) . . . . ?
C71 Ru P2 C21 1.2(3) . . . . ?
C75 Ru P2 C21 12.57(18) . . . . ?
C72 Ru P2 C21 -65.50(19) . . . . ?
C73 Ru P2 C21 -52.45(16) . . . . ?
C74 Ru P2 C21 -16.79(16) . . . . ?
P1 Ru P2 C21 100.13(11) . . . . ?
P3 Ru P2 C21 -164.25(11) . . . . ?
C71 Ru P2 C11 -114.8(3) . . . . ?
C75 Ru P2 C11 -103.48(17) . . . . ?
C72 Ru P2 C11 178.45(19) . . . . ?
C73 Ru P2 C11 -168.50(16) . . . . ?
C74 Ru P2 C11 -132.84(17) . . . . ?
P1 Ru P2 C11 -15.92(12) . . . . ?
P3 Ru P2 C11 79.70(11) . . . . ?
C71 Ru P3 C61 144.22(17) . . . . ?
C75 Ru P3 C61 142.4(2) . . . . ?
C72 Ru P3 C61 177.31(17) . . . . ?
C73 Ru P3 C61 -151.73(17) . . . . ?
C74 Ru P3 C61 -155.2(2) . . . . ?
P1 Ru P3 C61 49.51(13) . . . . ?
P2 Ru P3 C61 -42.05(13) . . . . ?
C71 Ru P3 C51 22.00(16) . . . . ?
C75 Ru P3 C51 20.2(2) . . . . ?
C72 Ru P3 C51 55.10(15) . . . . ?
C73 Ru P3 C51 86.05(15) . . . . ?
C74 Ru P3 C51 82.6(2) . . . . ?
P1 Ru P3 C51 -72.71(11) . . . . ?
P2 Ru P3 C51 -164.26(11) . . . . ?
C71 Ru P3 C41 -92.66(17) . . . . ?
C75 Ru P3 C41 -94.4(2) . . . . ?
C72 Ru P3 C41 -59.56(16) . . . . ?
C73 Ru P3 C41 -28.61(16) . . . . ?
C74 Ru P3 C41 -32.1(2) . . . . ?
P1 Ru P3 C41 172.63(11) . . . . ?
P2 Ru P3 C41 81.08(11) . . . . ?
C31 P2 C11 C12 89.2(3) . . . . ?
C21 P2 C11 C12 -166.5(3) . . . . ?
Ru P2 C11 C12 -43.4(3) . . . . ?
C31 P2 C11 C16 -87.1(3) . . . . ?
C21 P2 C11 C16 17.2(3) . . . . ?
Ru P2 C11 C16 140.3(3) . . . . ?
C16 C11 C12 C13 -1.1(5) . . . . ?
P2 C11 C12 C13 -177.6(3) . . . . ?
C11 C12 C13 C14 0.9(6) . . . . ?
C12 C13 C14 C15 0.7(6) . . . . ?
C13 C14 C15 C16 -2.0(6) . . . . ?
C14 C15 C16 C11 1.8(6) . . . . ?
C12 C11 C16 C15 -0.3(5) . . . . ?
P2 C11 C16 C15 176.1(3) . . . . ?
C31 P2 C21 C22 -179.4(3) . . . . ?
C11 P2 C21 C22 75.5(3) . . . . ?
Ru P2 C21 C22 -52.4(3) . . . . ?
C31 P2 C21 C26 4.4(3) . . . . ?
C11 P2 C21 C26 -100.6(3) . . . . ?
Ru P2 C21 C26 131.5(2) . . . . ?
C26 C21 C22 C23 1.3(5) . . . . ?
P2 C21 C22 C23 -175.0(3) . . . . ?
C21 C22 C23 C24 -2.0(6) . . . . ?
C22 C23 C24 C25 2.1(6) . . . . ?
C23 C24 C25 C26 -1.6(6) . . . . ?
C24 C25 C26 C21 1.0(6) . . . . ?
C22 C21 C26 C25 -0.8(5) . . . . ?
P2 C21 C26 C25 175.4(3) . . . . ?
C21 P2 C31 C32 75.9(3) . . . . ?
C11 P2 C31 C32 178.1(3) . . . . ?
Ru P2 C31 C32 -48.0(3) . . . . ?
C21 P2 C31 C36 -101.2(3) . . . . ?
C11 P2 C31 C36 1.0(3) . . . . ?
Ru P2 C31 C36 134.9(3) . . . . ?
C36 C31 C32 C33 -0.9(6) . . . . ?
P2 C31 C32 C33 -178.2(3) . . . . ?
C31 C32 C33 C34 -1.5(7) . . . . ?
C32 C33 C34 C35 2.5(8) . . . . ?
C33 C34 C35 C36 -1.1(8) . . . . ?
C34 C35 C36 C31 -1.4(7) . . . . ?
C32 C31 C36 C35 2.4(6) . . . . ?
P2 C31 C36 C35 179.5(3) . . . . ?
C61 P3 C41 C42 143.1(3) . . . . ?
C51 P3 C41 C42 -109.1(3) . . . . ?
Ru P3 C41 C42 10.2(3) . . . . ?
C61 P3 C41 C46 -42.0(3) . . . . ?
C51 P3 C41 C46 65.8(3) . . . . ?
Ru P3 C41 C46 -175.0(2) . . . . ?
C46 C41 C42 C43 0.2(5) . . . . ?
P3 C41 C42 C43 175.0(3) . . . . ?
C41 C42 C43 C44 1.0(6) . . . . ?
C42 C43 C44 C45 -1.4(7) . . . . ?
C43 C44 C45 C46 0.5(6) . . . . ?
C44 C45 C46 C41 0.7(6) . . . . ?
C42 C41 C46 C45 -1.1(5) . . . . ?
P3 C41 C46 C45 -176.1(3) . . . . ?
C61 P3 C51 C56 117.6(3) . . . . ?
C41 P3 C51 C56 16.0(3) . . . . ?
Ru P3 C51 C56 -111.9(3) . . . . ?
C61 P3 C51 C52 -65.1(3) . . . . ?
C41 P3 C51 C52 -166.7(3) . . . . ?
Ru P3 C51 C52 65.4(3) . . . . ?
C56 C51 C52 C53 -4.7(5) . . . . ?
P3 C51 C52 C53 177.9(3) . . . . ?
C51 C52 C53 C54 2.7(6) . . . . ?
C52 C53 C54 C55 2.3(6) . . . . ?
C53 C54 C55 C56 -5.2(6) . . . . ?
C52 C51 C56 C55 1.8(5) . . . . ?
P3 C51 C56 C55 179.2(3) . . . . ?
C54 C55 C56 C51 3.1(6) . . . . ?
C51 P3 C61 C66 -150.6(3) . . . . ?
C41 P3 C61 C66 -47.8(3) . . . . ?
Ru P3 C61 C66 85.7(3) . . . . ?
C51 P3 C61 C62 35.4(3) . . . . ?
C41 P3 C61 C62 138.2(3) . . . . ?
Ru P3 C61 C62 -88.3(3) . . . . ?
C66 C61 C62 C63 -2.2(5) . . . . ?
P3 C61 C62 C63 171.7(3) . . . . ?
C61 C62 C63 C64 1.1(6) . . . . ?
C62 C63 C64 C65 0.1(7) . . . . ?
C63 C64 C65 C66 -0.3(7) . . . . ?
C64 C65 C66 C61 -0.9(6) . . . . ?
C62 C61 C66 C65 2.1(5) . . . . ?
P3 C61 C66 C65 -172.3(3) . . . . ?
C75 Ru C71 C72 -115.7(4) . . . . ?
C73 Ru C71 C72 -36.9(2) . . . . ?
C74 Ru C71 C72 -78.7(3) . . . . ?
P1 Ru C71 C72 162.5(2) . . . . ?
P3 Ru C71 C72 66.1(2) . . . . ?
P2 Ru C71 C72 -99.2(3) . . . . ?
C72 Ru C71 C75 115.7(4) . . . . ?
C73 Ru C71 C75 78.8(3) . . . . ?
C74 Ru C71 C75 37.0(3) . . . . ?
P1 Ru C71 C75 -81.8(3) . . . . ?
P3 Ru C71 C75 -178.2(2) . . . . ?
P2 Ru C71 C75 16.5(4) . . . . ?
C75 C71 C72 C73 -0.7(4) . . . . ?
Ru C71 C72 C73 62.6(2) . . . . ?
C75 C71 C72 Ru -63.4(3) . . . . ?
C75 Ru C72 C71 38.8(3) . . . . ?
C73 Ru C72 C71 117.9(4) . . . . ?
C74 Ru C72 C71 80.7(3) . . . . ?
P1 Ru C72 C71 -22.3(3) . . . . ?
P3 Ru C72 C71 -117.2(2) . . . . ?
P2 Ru C72 C71 139.4(2) . . . . ?
C71 Ru C72 C73 -117.9(4) . . . . ?
C75 Ru C72 C73 -79.1(3) . . . . ?
C74 Ru C72 C73 -37.3(2) . . . . ?
P1 Ru C72 C73 -140.3(2) . . . . ?
P3 Ru C72 C73 124.9(2) . . . . ?
P2 Ru C72 C73 21.4(3) . . . . ?
C71 C72 C73 C74 0.8(4) . . . . ?
Ru C72 C73 C74 63.0(2) . . . . ?
C71 C72 C73 Ru -62.2(3) . . . . ?
C71 Ru C73 C72 36.8(2) . . . . ?
C75 Ru C73 C72 80.0(3) . . . . ?
C74 Ru C73 C72 117.2(3) . . . . ?
P1 Ru C73 C72 76.6(3) . . . . ?
P3 Ru C73 C72 -59.4(2) . . . . ?
P2 Ru C73 C72 -166.0(2) . . . . ?
C71 Ru C73 C74 -80.4(3) . . . . ?
C75 Ru C73 C74 -37.2(2) . . . . ?
C72 Ru C73 C74 -117.2(3) . . . . ?
P1 Ru C73 C74 -40.6(3) . . . . ?
P3 Ru C73 C74 -176.6(2) . . . . ?
P2 Ru C73 C74 76.8(2) . . . . ?
C72 C73 C74 C75 -0.5(4) . . . . ?
Ru C73 C74 C75 62.0(2) . . . . ?
C72 C73 C74 Ru -62.5(2) . . . . ?
C71 Ru C74 C75 -38.1(2) . . . . ?
C72 Ru C74 C75 -80.0(3) . . . . ?
C73 Ru C74 C75 -117.2(3) . . . . ?
P1 Ru C74 C75 40.5(3) . . . . ?
P3 Ru C74 C75 -111.6(3) . . . . ?
P2 Ru C74 C75 133.4(2) . . . . ?
C71 Ru C74 C73 79.1(2) . . . . ?
C75 Ru C74 C73 117.2(3) . . . . ?
C72 Ru C74 C73 37.3(2) . . . . ?
P1 Ru C74 C73 157.76(19) . . . . ?
P3 Ru C74 C73 5.6(3) . . . . ?
P2 Ru C74 C73 -109.4(2) . . . . ?
C73 C74 C75 C71 0.1(4) . . . . ?
Ru C74 C75 C71 62.3(3) . . . . ?
C73 C74 C75 Ru -62.2(2) . . . . ?
C72 C71 C75 C74 0.4(4) . . . . ?
Ru C71 C75 C74 -63.3(3) . . . . ?
C72 C71 C75 Ru 63.8(3) . . . . ?
C71 Ru C75 C74 117.0(4) . . . . ?
C72 Ru C75 C74 79.3(3) . . . . ?
C73 Ru C75 C74 37.3(2) . . . . ?
P1 Ru C75 C74 -144.5(2) . . . . ?
P3 Ru C75 C74 119.8(3) . . . . ?
P2 Ru C75 C74 -55.2(3) . . . . ?
C72 Ru C75 C71 -37.7(2) . . . . ?
C73 Ru C75 C71 -79.7(3) . . . . ?
C74 Ru C75 C71 -117.0(4) . . . . ?
P1 Ru C75 C71 98.5(3) . . . . ?
P3 Ru C75 C71 2.8(4) . . . . ?
P2 Ru C75 C71 -172.2(2) . . . . ?
