#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:25:15 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179789 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/85/7008585.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_7008585
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 H35 P6 Ru +, F6 P1 -'
_chemical_formula_sum            'C41 H35 F6 P7 Ru'
_chemical_formula_weight         959.55
_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                 94.95(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.611(5)
_cell_length_b                   14.619(4)
_cell_length_c                   24.489(5)
_cell_measurement_reflns_used    1552
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.0
_cell_measurement_theta_min      5.0
_cell_volume                     4141(2)
_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    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.830
_diffrn_measured_fraction_theta_max 0.830
_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  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0543
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            28874
_diffrn_reflns_theta_full        32.02
_diffrn_reflns_theta_max         32.02
_diffrn_reflns_theta_min         4.15
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.706
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1986)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.257
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         11949
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1145
_refine_ls_R_factor_gt           0.0666
_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)+(0.1181P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1758
_refine_ls_wR_factor_ref         0.2027
_reflns_number_gt                6783
_reflns_number_total             11949
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b504795a.txt
_cod_data_source_block           rup4
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7008585
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 0.76432(3) 0.39542(2) 0.172363(12) 0.04233(12) Uani 1 1 d . . .
P1 P 0.77201(9) 0.31432(7) 0.08924(4) 0.0439(2) Uani 1 1 d . . .
P2 P 0.64253(9) 0.30657(6) 0.22364(4) 0.0414(2) Uani 1 1 d . . .
C11 C 0.7952(4) 0.3884(3) 0.02984(17) 0.0493(9) Uani 1 1 d . . .
C12 C 0.8047(4) 0.4831(3) 0.0352(2) 0.0586(11) Uani 1 1 d . . .
H12 H 0.7989 0.5104 0.0692 0.070 Uiso 1 1 calc R . .
C13 C 0.8225(5) 0.5364(4) -0.0097(2) 0.0762(15) Uani 1 1 d . . .
H13 H 0.8287 0.5996 -0.0059 0.091 Uiso 1 1 calc R . .
C14 C 0.8312(5) 0.4968(4) -0.0600(2) 0.0750(15) Uani 1 1 d . . .
H14 H 0.8433 0.5331 -0.0902 0.090 Uiso 1 1 calc R . .
C15 C 0.8221(5) 0.4038(4) -0.0657(2) 0.0681(14) Uani 1 1 d . . .
H15 H 0.8286 0.3770 -0.0997 0.082 Uiso 1 1 calc R . .
C16 C 0.8032(4) 0.3498(4) -0.02120(18) 0.0636(12) Uani 1 1 d . . .
H16 H 0.7958 0.2868 -0.0256 0.076 Uiso 1 1 calc R . .
C21 C 0.8955(4) 0.2344(3) 0.09293(18) 0.0518(10) Uani 1 1 d . . .
C22 C 0.9790(5) 0.2354(4) 0.0558(2) 0.0772(15) Uani 1 1 d . . .
H22 H 0.9788 0.2805 0.0290 0.093 Uiso 1 1 calc R . .
C23 C 1.0637(6) 0.1666(5) 0.0594(3) 0.100(2) Uani 1 1 d . . .
H23 H 1.1215 0.1676 0.0354 0.120 Uiso 1 1 calc R . .
C24 C 1.0631(6) 0.0972(5) 0.0982(3) 0.095(2) Uani 1 1 d . . .
H24 H 1.1163 0.0496 0.0984 0.115 Uiso 1 1 calc R . .
C25 C 0.9843(6) 0.1001(4) 0.1355(3) 0.0795(16) Uani 1 1 d . . .
H25 H 0.9872 0.0565 0.1632 0.095 Uiso 1 1 calc R . .
C26 C 0.8996(4) 0.1660(3) 0.1334(2) 0.0627(12) Uani 1 1 d . . .
H26 H 0.8447 0.1653 0.1588 0.075 Uiso 1 1 calc R . .
C31 C 0.6511(4) 0.2443(3) 0.05812(16) 0.0485(9) Uani 1 1 d . . .
C32 C 0.6433(5) 0.1499(3) 0.06676(19) 0.0595(11) Uani 1 1 d . . .
H32 H 0.7027 0.1190 0.0869 0.071 Uiso 1 1 calc R . .
C33 C 0.5474(6) 0.1036(3) 0.0453(2) 0.0750(15) Uani 1 1 d . . .
H33 H 0.5429 0.0408 0.0509 0.090 Uiso 1 1 calc R . .
C34 C 0.4591(6) 0.1466(4) 0.0164(2) 0.0798(16) Uani 1 1 d . . .
H34 H 0.3938 0.1139 0.0034 0.096 Uiso 1 1 calc R . .
C35 C 0.4658(5) 0.2380(4) 0.00618(19) 0.0652(12) Uani 1 1 d . . .
H35 H 0.4060 0.2674 -0.0146 0.078 Uiso 1 1 calc R . .
C36 C 0.5621(4) 0.2869(3) 0.02692(18) 0.0548(10) Uani 1 1 d . . .
H36 H 0.5668 0.3492 0.0197 0.066 Uiso 1 1 calc R . .
C41 C 0.4865(3) 0.2925(2) 0.20505(16) 0.0433(8) Uani 1 1 d . . .
C42 C 0.4097(4) 0.2826(3) 0.2446(2) 0.0602(11) Uani 1 1 d . . .
H42 H 0.4362 0.2856 0.2815 0.072 Uiso 1 1 calc R . .
C43 C 0.2925(5) 0.2682(4) 0.2296(2) 0.0736(14) Uani 1 1 d . . .
H43 H 0.2412 0.2620 0.2565 0.088 Uiso 1 1 calc R . .
C44 C 0.2528(4) 0.2631(4) 0.1756(2) 0.0769(16) Uani 1 1 d . . .
H44 H 0.1747 0.2526 0.1658 0.092 Uiso 1 1 calc R . .
C45 C 0.3285(4) 0.2737(4) 0.1354(2) 0.0717(14) Uani 1 1 d . . .
H45 H 0.3016 0.2716 0.0986 0.086 Uiso 1 1 calc R . .
C46 C 0.4446(4) 0.2874(3) 0.15058(19) 0.0590(11) Uani 1 1 d . . .
H46 H 0.4957 0.2934 0.1235 0.071 Uiso 1 1 calc R . .
C51 C 0.6918(4) 0.1884(3) 0.23475(16) 0.0465(9) Uani 1 1 d . . .
C52 C 0.6358(4) 0.1169(3) 0.2071(2) 0.0567(11) Uani 1 1 d . . .
H52 H 0.5670 0.1270 0.1856 0.068 Uiso 1 1 calc R . .
C53 C 0.6832(6) 0.0287(3) 0.2116(2) 0.0735(14) Uani 1 1 d . . .
H53 H 0.6453 -0.0196 0.1931 0.088 Uiso 1 1 calc R . .
C54 C 0.7825(6) 0.0135(4) 0.2424(2) 0.0765(16) Uani 1 1 d . . .
H54 H 0.8135 -0.0452 0.2446 0.092 Uiso 1 1 calc R . .
C55 C 0.8392(5) 0.0843(4) 0.2709(2) 0.0722(14) Uani 1 1 d . . .
H55 H 0.9069 0.0729 0.2930 0.087 Uiso 1 1 calc R . .
C56 C 0.7950(4) 0.1718(3) 0.26657(19) 0.0590(11) Uani 1 1 d . . .
H56 H 0.8341 0.2198 0.2849 0.071 Uiso 1 1 calc R . .
C61 C 0.6399(4) 0.3547(3) 0.29304(15) 0.0467(9) Uani 1 1 d . . .
C62 C 0.6512(5) 0.3014(3) 0.34054(19) 0.0639(12) Uani 1 1 d . . .
H62 H 0.6589 0.2383 0.3379 0.077 Uiso 1 1 calc R . .
C63 C 0.6510(5) 0.3424(4) 0.3918(2) 0.0758(15) Uani 1 1 d . . .
H63 H 0.6563 0.3064 0.4232 0.091 Uiso 1 1 calc R . .
C64 C 0.6430(5) 0.4352(4) 0.3962(2) 0.0783(16) Uani 1 1 d . . .
H64 H 0.6466 0.4623 0.4307 0.094 Uiso 1 1 calc R . .
C65 C 0.6297(5) 0.4886(4) 0.3501(2) 0.0673(13) Uani 1 1 d . . .
H65 H 0.6216 0.5516 0.3533 0.081 Uiso 1 1 calc R . .
C66 C 0.6285(4) 0.4485(3) 0.29884(18) 0.0584(11) Uani 1 1 d . . .
H66 H 0.6198 0.4852 0.2677 0.070 Uiso 1 1 calc R . .
C71 C 0.9422(4) 0.3673(4) 0.2083(2) 0.0626(12) Uani 1 1 d . . .
H71 H 0.9724 0.3085 0.2114 0.075 Uiso 1 1 calc R . .
C72 C 0.8839(4) 0.4129(4) 0.2478(2) 0.0618(12) Uani 1 1 d . . .
H72 H 0.8682 0.3895 0.2817 0.074 Uiso 1 1 calc R . .
C73 C 0.8533(5) 0.4994(3) 0.2277(2) 0.0667(13) Uani 1 1 d . . .
H73 H 0.8142 0.5438 0.2460 0.080 Uiso 1 1 calc R . .
C74 C 0.8917(5) 0.5085(4) 0.1743(2) 0.0763(15) Uani 1 1 d . . .
H74 H 0.8816 0.5593 0.1515 0.092 Uiso 1 1 calc R . .
C75 C 0.9476(4) 0.4267(4) 0.1624(2) 0.0700(14) Uani 1 1 d . . .
H75 H 0.9819 0.4135 0.1303 0.084 Uiso 1 1 calc R . .
P3 P 0.61128(10) 0.48322(7) 0.14133(4) 0.0489(3) Uani 1 1 d . . .
P4 P 0.44413(14) 0.53074(12) 0.16084(6) 0.0831(5) Uani 1 1 d . . .
P5 P 0.48362(17) 0.51690(13) 0.07582(6) 0.0912(5) Uani 1 1 d . . .
P6 P 0.56851(19) 0.62413(11) 0.12706(10) 0.0999(6) Uani 1 1 d . . .
P7 P 1.10782(18) 0.28689(11) 0.38126(7) 0.0847(5) Uani 1 1 d . . .
F1 F 1.1573(12) 0.3375(8) 0.4276(4) 0.304(6) Uani 1 1 d . . .
F2 F 1.0918(10) 0.3655(5) 0.3443(4) 0.251(5) Uani 1 1 d . . .
F3 F 1.0591(11) 0.2331(5) 0.3317(4) 0.292(6) Uani 1 1 d . . .
F4 F 1.1204(15) 0.2039(5) 0.4147(4) 0.344(8) Uani 1 1 d . . .
F5 F 1.2219(8) 0.2720(12) 0.3620(4) 0.352(9) Uani 1 1 d . . .
F6 F 0.9931(11) 0.3050(12) 0.3978(6) 0.368(8) 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
C75 Ru C71 37.6(2) . . ?
C75 Ru C74 37.0(2) . . ?
C71 Ru C74 62.1(2) . . ?
C75 Ru C72 62.04(19) . . ?
C71 Ru C72 36.66(18) . . ?
C74 Ru C72 61.9(2) . . ?
C75 Ru C73 61.7(2) . . ?
C71 Ru C73 61.1(2) . . ?
C74 Ru C73 37.3(2) . . ?
C72 Ru C73 36.41(18) . . ?
C75 Ru P3 125.41(16) . . ?
C71 Ru P3 156.24(14) . . ?
C74 Ru P3 94.99(17) . . ?
C72 Ru P3 128.81(14) . . ?
C73 Ru P3 97.24(15) . . ?
C75 Ru P2 143.07(16) . . ?
C71 Ru P2 105.53(14) . . ?
C74 Ru P2 145.96(16) . . ?
C72 Ru P2 88.91(14) . . ?
C73 Ru P2 108.64(15) . . ?
P3 Ru P2 90.10(5) . . ?
C75 Ru P1 84.27(15) . . ?
C71 Ru P1 98.41(13) . . ?
C74 Ru P1 108.54(17) . . ?
C72 Ru P1 134.79(14) . . ?
C73 Ru P1 144.59(16) . . ?
P3 Ru P1 94.70(5) . . ?
P2 Ru P1 104.54(4) . . ?
C21 P1 C31 103.2(2) . . ?
C21 P1 C11 104.09(19) . . ?
C31 P1 C11 99.03(19) . . ?
C21 P1 Ru 111.23(15) . . ?
C31 P1 Ru 123.31(13) . . ?
C11 P1 Ru 113.70(14) . . ?
C51 P2 C41 102.66(18) . . ?
C51 P2 C61 104.65(18) . . ?
C41 P2 C61 100.18(19) . . ?
C51 P2 Ru 113.83(13) . . ?
C41 P2 Ru 123.51(13) . . ?
C61 P2 Ru 109.81(14) . . ?
C16 C11 C12 118.7(4) . . ?
C16 C11 P1 119.8(3) . . ?
C12 C11 P1 121.5(3) . . ?
C13 C12 C11 120.1(5) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 C12 120.3(5) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C15 C14 C13 120.0(5) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 120.3(5) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C15 C16 C11 120.5(5) . . ?
C15 C16 H16 119.7 . . ?
C11 C16 H16 119.7 . . ?
C22 C21 C26 119.1(4) . . ?
C22 C21 P1 123.1(4) . . ?
C26 C21 P1 117.7(3) . . ?
C21 C22 C23 118.5(5) . . ?
C21 C22 H22 120.7 . . ?
C23 C22 H22 120.7 . . ?
C24 C23 C22 121.4(5) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C25 C24 C23 118.9(5) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C24 C25 C26 121.5(6) . . ?
C24 C25 H25 119.3 . . ?
C26 C25 H25 119.3 . . ?
C25 C26 C21 120.4(5) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
C36 C31 C32 118.2(4) . . ?
C36 C31 P1 119.0(3) . . ?
C32 C31 P1 122.7(4) . . ?
C33 C32 C31 119.4(5) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C34 C33 C32 121.7(5) . . ?
C34 C33 H33 119.1 . . ?
C32 C33 H33 119.1 . . ?
C33 C34 C35 120.0(5) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 C36 119.7(5) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C31 C36 C35 120.8(4) . . ?
C31 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C42 C41 C46 118.5(4) . . ?
C42 C41 P2 121.3(3) . . ?
C46 C41 P2 120.1(3) . . ?
C41 C42 C43 120.4(5) . . ?
C41 C42 H42 119.8 . . ?
C43 C42 H42 119.8 . . ?
C44 C43 C42 120.3(5) . . ?
C44 C43 H43 119.8 . . ?
C42 C43 H43 119.8 . . ?
C43 C44 C45 120.0(5) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C46 C45 C44 119.4(5) . . ?
C46 C45 H45 120.3 . . ?
C44 C45 H45 120.3 . . ?
C45 C46 C41 121.4(4) . . ?
C45 C46 H46 119.3 . . ?
C41 C46 H46 119.3 . . ?
C52 C51 C56 119.3(4) . . ?
C52 C51 P2 120.9(3) . . ?
C56 C51 P2 119.3(3) . . ?
C51 C52 C53 119.6(5) . . ?
C51 C52 H52 120.2 . . ?
C53 C52 H52 120.2 . . ?
C54 C53 C52 120.6(5) . . ?
C54 C53 H53 119.7 . . ?
C52 C53 H53 119.7 . . ?
C53 C54 C55 120.6(5) . . ?
C53 C54 H54 119.7 . . ?
C55 C54 H54 119.7 . . ?
C56 C55 C54 119.8(5) . . ?
C56 C55 H55 120.1 . . ?
C54 C55 H55 120.1 . . ?
C55 C56 C51 120.1(5) . . ?
C55 C56 H56 120.0 . . ?
C51 C56 H56 120.0 . . ?
C66 C61 C62 118.0(4) . . ?
C66 C61 P2 118.8(3) . . ?
C62 C61 P2 123.2(3) . . ?
C63 C62 C61 120.2(4) . . ?
C63 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C64 C63 C62 120.4(5) . . ?
C64 C63 H63 119.8 . . ?
C62 C63 H63 119.8 . . ?
C63 C64 C65 120.3(5) . . ?
C63 C64 H64 119.9 . . ?
C65 C64 H64 119.9 . . ?
C64 C65 C66 119.8(5) . . ?
C64 C65 H65 120.1 . . ?
C66 C65 H65 120.1 . . ?
C65 C66 C61 121.2(4) . . ?
C65 C66 H66 119.4 . . ?
C61 C66 H66 119.4 . . ?
C72 C71 C75 108.3(5) . . ?
C72 C71 Ru 72.3(3) . . ?
C75 C71 Ru 71.1(3) . . ?
C72 C71 H71 125.9 . . ?
C75 C71 H71 125.9 . . ?
Ru C71 H71 122.4 . . ?
C73 C72 C71 108.2(5) . . ?
C73 C72 Ru 71.8(3) . . ?
C71 C72 Ru 71.1(3) . . ?
C73 C72 H72 125.9 . . ?
C71 C72 H72 125.9 . . ?
Ru C72 H72 122.8 . . ?
C72 C73 C74 108.7(5) . . ?
C72 C73 Ru 71.8(3) . . ?
C74 C73 Ru 70.8(3) . . ?
C72 C73 H73 125.7 . . ?
C74 C73 H73 125.7 . . ?
Ru C73 H73 123.4 . . ?
C75 C74 C73 107.4(5) . . ?
C75 C74 Ru 71.3(3) . . ?
C73 C74 Ru 71.8(3) . . ?
C75 C74 H74 126.3 . . ?
C73 C74 H74 126.3 . . ?
Ru C74 H74 122.3 . . ?
C74 C75 C71 107.5(5) . . ?
C74 C75 Ru 71.7(3) . . ?
C71 C75 Ru 71.3(3) . . ?
C74 C75 H75 126.2 . . ?
C71 C75 H75 126.2 . . ?
Ru C75 H75 122.5 . . ?
P6 P3 P5 61.41(9) . . ?
P6 P3 P4 61.64(8) . . ?
P5 P3 P4 60.93(7) . . ?
P6 P3 Ru 139.72(8) . . ?
P5 P3 Ru 148.29(7) . . ?
P4 P3 Ru 143.40(7) . . ?
P3 P4 P5 59.35(7) . . ?
P3 P4 P6 58.89(7) . . ?
P5 P4 P6 59.96(10) . . ?
P3 P5 P4 59.72(7) . . ?
P3 P5 P6 59.19(8) . . ?
P4 P5 P6 60.48(9) . . ?
P3 P6 P5 59.40(7) . . ?
P3 P6 P4 59.47(7) . . ?
P5 P6 P4 59.56(8) . . ?
F1 P7 F6 90.0(7) . . ?
F1 P7 F5 91.1(8) . . ?
F6 P7 F5 176.8(8) . . ?
F1 P7 F4 88.4(7) . . ?
F6 P7 F4 92.6(9) . . ?
F5 P7 F4 90.4(9) . . ?
F1 P7 F2 96.0(6) . . ?
F6 P7 F2 87.7(8) . . ?
F5 P7 F2 89.3(7) . . ?
F4 P7 F2 175.6(6) . . ?
F1 P7 F3 178.3(7) . . ?
F6 P7 F3 91.7(9) . . ?
F5 P7 F3 87.1(7) . . ?
F4 P7 F3 91.7(6) . . ?
F2 P7 F3 83.9(5) . . ?
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 C75 2.211(5) . ?
Ru C71 2.213(5) . ?
Ru C74 2.216(5) . ?
Ru C72 2.228(5) . ?
Ru C73 2.229(5) . ?
Ru P3 2.2693(14) . ?
Ru P2 2.3601(12) . ?
Ru P1 2.3640(11) . ?
P1 C21 1.846(4) . ?
P1 C31 1.848(4) . ?
P1 C11 1.852(4) . ?
P2 C51 1.833(4) . ?
P2 C41 1.841(4) . ?
P2 C61 1.842(4) . ?
C11 C16 1.382(6) . ?
C11 C12 1.394(6) . ?
C12 C13 1.379(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.372(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.370(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.379(7) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C21 C22 1.385(6) . ?
C21 C26 1.406(6) . ?
C22 C23 1.404(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.390(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.348(9) . ?
C24 H24 0.9300 . ?
C25 C26 1.374(7) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C36 1.379(6) . ?
C31 C32 1.400(6) . ?
C32 C33 1.369(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.350(9) . ?
C33 H33 0.9300 . ?
C34 C35 1.362(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.386(7) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C41 C42 1.380(6) . ?
C41 C46 1.382(6) . ?
C42 C43 1.394(7) . ?
C42 H42 0.9300 . ?
C43 C44 1.365(8) . ?
C43 H43 0.9300 . ?
C44 C45 1.384(7) . ?
C44 H44 0.9300 . ?
C45 C46 1.381(7) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C51 C52 1.379(6) . ?
C51 C56 1.393(6) . ?
C52 C53 1.401(6) . ?
C52 H52 0.9300 . ?
C53 C54 1.341(9) . ?
C53 H53 0.9300 . ?
C54 C55 1.384(8) . ?
C54 H54 0.9300 . ?
C55 C56 1.379(7) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C61 C66 1.386(6) . ?
C61 C62 1.397(6) . ?
C62 C63 1.390(7) . ?
C62 H62 0.9300 . ?
C63 C64 1.365(8) . ?
C63 H63 0.9300 . ?
C64 C65 1.369(7) . ?
C64 H64 0.9300 . ?
C65 C66 1.385(6) . ?
C65 H65 0.9300 . ?
C66 H66 0.9300 . ?
C71 C72 1.397(7) . ?
C71 C75 1.427(7) . ?
C71 H71 0.9300 . ?
C72 C73 1.392(7) . ?
C72 H72 0.9300 . ?
C73 C74 1.423(8) . ?
C73 H73 0.9300 . ?
C74 C75 1.404(8) . ?
C74 H74 0.9300 . ?
C75 H75 0.9300 . ?
P3 P6 2.141(2) . ?
P3 P5 2.145(2) . ?
P3 P4 2.154(2) . ?
P4 P5 2.180(2) . ?
P4 P6 2.200(3) . ?
P5 P6 2.189(3) . ?
P7 F1 1.432(7) . ?
P7 F6 1.450(9) . ?
P7 F5 1.461(8) . ?
P7 F4 1.465(6) . ?
P7 F2 1.465(6) . ?
P7 F3 1.515(7) . ?
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
C75 Ru P1 C21 51.4(2) . . . . ?
C71 Ru P1 C21 16.4(2) . . . . ?
C74 Ru P1 C21 79.7(2) . . . . ?
C72 Ru P1 C21 11.2(2) . . . . ?
C73 Ru P1 C21 67.0(3) . . . . ?
P3 Ru P1 C21 176.56(15) . . . . ?
P2 Ru P1 C21 -92.12(15) . . . . ?
C75 Ru P1 C31 174.7(2) . . . . ?
C71 Ru P1 C31 139.7(2) . . . . ?
C74 Ru P1 C31 -157.0(2) . . . . ?
C72 Ru P1 C31 134.5(3) . . . . ?
C73 Ru P1 C31 -169.6(3) . . . . ?
P3 Ru P1 C31 -60.12(17) . . . . ?
P2 Ru P1 C31 31.20(17) . . . . ?
C75 Ru P1 C11 -65.7(2) . . . . ?
C71 Ru P1 C11 -100.7(2) . . . . ?
C74 Ru P1 C11 -37.4(2) . . . . ?
C72 Ru P1 C11 -105.9(2) . . . . ?
C73 Ru P1 C11 -50.1(3) . . . . ?
P3 Ru P1 C11 59.45(16) . . . . ?
P2 Ru P1 C11 150.77(16) . . . . ?
C75 Ru P2 C51 -42.9(3) . . . . ?
C71 Ru P2 C51 -46.1(2) . . . . ?
C74 Ru P2 C51 -108.9(3) . . . . ?
C72 Ru P2 C51 -79.2(2) . . . . ?
C73 Ru P2 C51 -110.3(2) . . . . ?
P3 Ru P2 C51 151.99(16) . . . . ?
P1 Ru P2 C51 57.12(16) . . . . ?
C75 Ru P2 C41 -168.3(3) . . . . ?
C71 Ru P2 C41 -171.6(2) . . . . ?
C74 Ru P2 C41 125.6(3) . . . . ?
C72 Ru P2 C41 155.4(2) . . . . ?
C73 Ru P2 C41 124.2(2) . . . . ?
P3 Ru P2 C41 26.56(15) . . . . ?
P1 Ru P2 C41 -68.32(15) . . . . ?
C75 Ru P2 C61 74.1(3) . . . . ?
C71 Ru P2 C61 70.8(2) . . . . ?
C74 Ru P2 C61 8.0(3) . . . . ?
C72 Ru P2 C61 37.75(19) . . . . ?
C73 Ru P2 C61 6.6(2) . . . . ?
P3 Ru P2 C61 -91.07(14) . . . . ?
P1 Ru P2 C61 174.05(14) . . . . ?
C21 P1 C11 C16 57.9(4) . . . . ?
C31 P1 C11 C16 -48.3(4) . . . . ?
Ru P1 C11 C16 179.0(3) . . . . ?
C21 P1 C11 C12 -122.3(4) . . . . ?
C31 P1 C11 C12 131.5(4) . . . . ?
Ru P1 C11 C12 -1.2(4) . . . . ?
C16 C11 C12 C13 -0.5(7) . . . . ?
P1 C11 C12 C13 179.7(4) . . . . ?
C11 C12 C13 C14 0.0(8) . . . . ?
C12 C13 C14 C15 0.0(9) . . . . ?
C13 C14 C15 C16 0.5(9) . . . . ?
C14 C15 C16 C11 -1.1(8) . . . . ?
C12 C11 C16 C15 1.1(7) . . . . ?
P1 C11 C16 C15 -179.1(4) . . . . ?
C31 P1 C21 C22 101.2(5) . . . . ?
C11 P1 C21 C22 -1.8(5) . . . . ?
Ru P1 C21 C22 -124.6(4) . . . . ?
C31 P1 C21 C26 -74.4(4) . . . . ?
C11 P1 C21 C26 -177.4(4) . . . . ?
Ru P1 C21 C26 59.7(4) . . . . ?
C26 C21 C22 C23 1.0(8) . . . . ?
P1 C21 C22 C23 -174.6(5) . . . . ?
C21 C22 C23 C24 1.8(10) . . . . ?
C22 C23 C24 C25 -4.8(11) . . . . ?
C23 C24 C25 C26 4.9(11) . . . . ?
C24 C25 C26 C21 -2.1(9) . . . . ?
C22 C21 C26 C25 -1.0(8) . . . . ?
P1 C21 C26 C25 174.9(4) . . . . ?
C21 P1 C31 C36 -150.8(3) . . . . ?
C11 P1 C31 C36 -43.9(3) . . . . ?
Ru P1 C31 C36 82.3(3) . . . . ?
C21 P1 C31 C32 32.0(4) . . . . ?
C11 P1 C31 C32 138.9(4) . . . . ?
Ru P1 C31 C32 -94.9(3) . . . . ?
C36 C31 C32 C33 -1.5(6) . . . . ?
P1 C31 C32 C33 175.7(4) . . . . ?
C31 C32 C33 C34 -0.6(8) . . . . ?
C32 C33 C34 C35 2.3(9) . . . . ?
C33 C34 C35 C36 -1.7(8) . . . . ?
C32 C31 C36 C35 2.0(6) . . . . ?
P1 C31 C36 C35 -175.3(3) . . . . ?
C34 C35 C36 C31 -0.5(7) . . . . ?
C51 P2 C41 C42 82.8(4) . . . . ?
C61 P2 C41 C42 -24.8(4) . . . . ?
Ru P2 C41 C42 -147.0(3) . . . . ?
C51 P2 C41 C46 -94.3(4) . . . . ?
C61 P2 C41 C46 158.1(3) . . . . ?
Ru P2 C41 C46 35.9(4) . . . . ?
C46 C41 C42 C43 -0.2(7) . . . . ?
P2 C41 C42 C43 -177.3(4) . . . . ?
C41 C42 C43 C44 0.4(8) . . . . ?
C42 C43 C44 C45 -1.0(9) . . . . ?
C43 C44 C45 C46 1.3(9) . . . . ?
C44 C45 C46 C41 -1.2(8) . . . . ?
C42 C41 C46 C45 0.6(7) . . . . ?
P2 C41 C46 C45 177.7(4) . . . . ?
C41 P2 C51 C52 29.0(4) . . . . ?
C61 P2 C51 C52 133.3(4) . . . . ?
Ru P2 C51 C52 -106.8(3) . . . . ?
C41 P2 C51 C56 -158.6(3) . . . . ?
C61 P2 C51 C56 -54.4(4) . . . . ?
Ru P2 C51 C56 65.5(4) . . . . ?
C56 C51 C52 C53 0.3(7) . . . . ?
P2 C51 C52 C53 172.7(4) . . . . ?
C51 C52 C53 C54 -0.2(8) . . . . ?
C52 C53 C54 C55 0.9(9) . . . . ?
C53 C54 C55 C56 -1.7(9) . . . . ?
C54 C55 C56 C51 1.8(8) . . . . ?
C52 C51 C56 C55 -1.1(7) . . . . ?
P2 C51 C56 C55 -173.6(4) . . . . ?
C51 P2 C61 C66 167.2(4) . . . . ?
C41 P2 C61 C66 -86.7(4) . . . . ?
Ru P2 C61 C66 44.7(4) . . . . ?
C51 P2 C61 C62 -11.5(4) . . . . ?
C41 P2 C61 C62 94.6(4) . . . . ?
Ru P2 C61 C62 -134.0(4) . . . . ?
C66 C61 C62 C63 -0.1(7) . . . . ?
P2 C61 C62 C63 178.6(4) . . . . ?
C61 C62 C63 C64 -1.8(9) . . . . ?
C62 C63 C64 C65 3.0(9) . . . . ?
C63 C64 C65 C66 -2.3(9) . . . . ?
C64 C65 C66 C61 0.3(8) . . . . ?
C62 C61 C66 C65 0.9(7) . . . . ?
P2 C61 C66 C65 -177.9(4) . . . . ?
C75 Ru C71 C72 117.2(4) . . . . ?
C74 Ru C71 C72 79.7(3) . . . . ?
C73 Ru C71 C72 37.0(3) . . . . ?
P3 Ru C71 C72 63.5(5) . . . . ?
P2 Ru C71 C72 -66.0(3) . . . . ?
P1 Ru C71 C72 -173.7(3) . . . . ?
C74 Ru C71 C75 -37.5(3) . . . . ?
C72 Ru C71 C75 -117.2(4) . . . . ?
C73 Ru C71 C75 -80.2(3) . . . . ?
P3 Ru C71 C75 -53.7(5) . . . . ?
P2 Ru C71 C75 176.8(3) . . . . ?
P1 Ru C71 C75 69.1(3) . . . . ?
C75 C71 C72 C73 -0.3(5) . . . . ?
Ru C71 C72 C73 -62.7(3) . . . . ?
C75 C71 C72 Ru 62.4(3) . . . . ?
C75 Ru C72 C73 79.4(4) . . . . ?
C71 Ru C72 C73 117.3(5) . . . . ?
C74 Ru C72 C73 37.3(3) . . . . ?
P3 Ru C72 C73 -35.1(4) . . . . ?
P2 Ru C72 C73 -124.4(3) . . . . ?
P1 Ru C72 C73 126.1(3) . . . . ?
C75 Ru C72 C71 -37.9(3) . . . . ?
C74 Ru C72 C71 -80.0(4) . . . . ?
C73 Ru C72 C71 -117.3(5) . . . . ?
P3 Ru C72 C71 -152.5(3) . . . . ?
P2 Ru C72 C71 118.3(3) . . . . ?
P1 Ru C72 C71 8.7(4) . . . . ?
C71 C72 C73 C74 0.6(6) . . . . ?
Ru C72 C73 C74 -61.6(3) . . . . ?
C71 C72 C73 Ru 62.2(3) . . . . ?
C75 Ru C73 C72 -80.4(4) . . . . ?
C71 Ru C73 C72 -37.3(3) . . . . ?
C74 Ru C73 C72 -118.1(5) . . . . ?
P3 Ru C73 C72 153.1(3) . . . . ?
P2 Ru C73 C72 60.6(3) . . . . ?
P1 Ru C73 C72 -98.1(3) . . . . ?
C75 Ru C73 C74 37.8(3) . . . . ?
C71 Ru C73 C74 80.8(4) . . . . ?
C72 Ru C73 C74 118.1(5) . . . . ?
P3 Ru C73 C74 -88.7(3) . . . . ?
P2 Ru C73 C74 178.7(3) . . . . ?
P1 Ru C73 C74 20.0(5) . . . . ?
C72 C73 C74 C75 -0.7(6) . . . . ?
Ru C73 C74 C75 -62.9(3) . . . . ?
C72 C73 C74 Ru 62.1(3) . . . . ?
C71 Ru C74 C75 38.2(3) . . . . ?
C72 Ru C74 C75 79.9(3) . . . . ?
C73 Ru C74 C75 116.3(5) . . . . ?
P3 Ru C74 C75 -148.3(3) . . . . ?
P2 Ru C74 C75 114.1(4) . . . . ?
P1 Ru C74 C75 -51.7(3) . . . . ?
C75 Ru C74 C73 -116.3(5) . . . . ?
C71 Ru C74 C73 -78.1(3) . . . . ?
C72 Ru C74 C73 -36.4(3) . . . . ?
P3 Ru C74 C73 95.4(3) . . . . ?
P2 Ru C74 C73 -2.2(5) . . . . ?
P1 Ru C74 C73 -167.9(3) . . . . ?
C73 C74 C75 C71 0.5(6) . . . . ?
Ru C74 C75 C71 -62.7(3) . . . . ?
C73 C74 C75 Ru 63.2(3) . . . . ?
C72 C71 C75 C74 -0.2(6) . . . . ?
Ru C71 C75 C74 63.0(4) . . . . ?
C72 C71 C75 Ru -63.1(3) . . . . ?
C71 Ru C75 C74 -116.6(5) . . . . ?
C72 Ru C75 C74 -79.6(4) . . . . ?
C73 Ru C75 C74 -38.1(3) . . . . ?
P3 Ru C75 C74 39.9(4) . . . . ?
P2 Ru C75 C74 -121.7(3) . . . . ?
P1 Ru C75 C74 131.6(3) . . . . ?
C74 Ru C75 C71 116.6(5) . . . . ?
C72 Ru C75 C71 37.0(3) . . . . ?
C73 Ru C75 C71 78.4(3) . . . . ?
P3 Ru C75 C71 156.5(2) . . . . ?
P2 Ru C75 C71 -5.2(4) . . . . ?
P1 Ru C75 C71 -111.8(3) . . . . ?
C75 Ru P3 P6 -32.0(2) . . . . ?
C71 Ru P3 P6 5.2(4) . . . . ?
C74 Ru P3 P6 -9.1(2) . . . . ?
C72 Ru P3 P6 48.5(2) . . . . ?
C73 Ru P3 P6 28.34(19) . . . . ?
P2 Ru P3 P6 137.15(12) . . . . ?
P1 Ru P3 P6 -118.25(13) . . . . ?
C75 Ru P3 P5 88.2(2) . . . . ?
C71 Ru P3 P5 125.3(4) . . . . ?
C74 Ru P3 P5 111.0(2) . . . . ?
C72 Ru P3 P5 168.6(2) . . . . ?
C73 Ru P3 P5 148.5(2) . . . . ?
P2 Ru P3 P5 -102.72(16) . . . . ?
P1 Ru P3 P5 1.88(16) . . . . ?
C75 Ru P3 P4 -142.8(2) . . . . ?
C71 Ru P3 P4 -105.7(3) . . . . ?
C74 Ru P3 P4 -120.0(2) . . . . ?
C72 Ru P3 P4 -62.4(2) . . . . ?
C73 Ru P3 P4 -82.5(2) . . . . ?
P2 Ru P3 P4 26.27(13) . . . . ?
P1 Ru P3 P4 130.86(13) . . . . ?
P6 P3 P4 P5 71.21(10) . . . . ?
Ru P3 P4 P5 -152.13(14) . . . . ?
P5 P3 P4 P6 -71.21(10) . . . . ?
Ru P3 P4 P6 136.65(14) . . . . ?
P6 P3 P5 P4 -71.58(10) . . . . ?
Ru P3 P5 P4 147.98(15) . . . . ?
P4 P3 P5 P6 71.58(10) . . . . ?
Ru P3 P5 P6 -140.45(15) . . . . ?
P6 P4 P5 P3 69.45(9) . . . . ?
P3 P4 P5 P6 -69.45(9) . . . . ?
P4 P3 P6 P5 -70.45(9) . . . . ?
Ru P3 P6 P5 148.82(12) . . . . ?
P5 P3 P6 P4 70.45(9) . . . . ?
Ru P3 P6 P4 -140.73(12) . . . . ?
P4 P5 P6 P3 70.31(8) . . . . ?
P3 P5 P6 P4 -70.31(8) . . . . ?
P5 P4 P6 P3 -70.19(8) . . . . ?
P3 P4 P6 P5 70.19(8) . . . . ?
