#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/04/4060498.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_4060498
loop_
_publ_author_name
'Doherty, Simon'
'Knight, Julian G.'
'Rath, Rakesh K.'
'Clegg, William'
'Harrington, Ross W.'
'Newman, Colin R.'
'Campbell, Robert'
'Amin, Hiren'
_publ_section_title
;
Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: 
Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2633
_journal_page_last               2644
_journal_paper_doi               10.1021/om050014j
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C42 H46 P2 Ru 2+, 2 F6 Sb -, C H2 Cl2'
_chemical_formula_sum            'C43 H48 Cl2 F12 P2 Ru Sb2'
_chemical_formula_weight         1270.22
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 123.608(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.3186(11)
_cell_length_b                   29.7261(13)
_cell_length_c                   16.5645(7)
_cell_measurement_reflns_used    18389
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.85
_cell_measurement_theta_min      2.19
_cell_volume                     9972.8(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       'thin-slice ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0708
_diffrn_reflns_av_sigmaI/netI    0.0796
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            34471
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.42
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.620
_exptl_absorpt_correction_T_max  0.793
_exptl_absorpt_correction_T_min  0.563
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4992
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.276
_refine_diff_density_min         -1.357
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     555
_refine_ls_number_reflns         8765
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0946
_refine_ls_R_factor_gt           0.0627
_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)+(0.0821P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1424
_refine_ls_wR_factor_ref         0.1509
_reflns_number_gt                5663
_reflns_number_total             8765
_reflns_threshold_expression     I>2σ(I)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4060498
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.72174(3) 0.59663(2) 0.64187(4) 0.01985(17) Uani 1 1 d . . .
P1 P 0.63822(10) 0.64842(7) 0.59555(15) 0.0224(5) Uani 1 1 d . . .
P2 P 0.78748(10) 0.63104(7) 0.79151(15) 0.0247(5) Uani 1 1 d . . .
C1 C 0.6154(5) 0.5121(3) 0.6380(8) 0.051(3) Uani 1 1 d . . .
H1A H 0.6116 0.4793 0.6323 0.077 Uiso 1 1 calc R . .
H1B H 0.5740 0.5258 0.5859 0.077 Uiso 1 1 calc R . .
H1C H 0.6241 0.5213 0.7009 0.077 Uiso 1 1 calc R . .
C2 C 0.6708(5) 0.5273(3) 0.6302(7) 0.037(2) Uani 1 1 d . . .
C3 C 0.6605(4) 0.5398(3) 0.5411(7) 0.036(2) Uani 1 1 d . . .
H3 H 0.6166 0.5436 0.4866 0.043 Uiso 1 1 calc R . .
C4 C 0.7132(4) 0.5468(3) 0.5299(6) 0.029(2) Uani 1 1 d . . .
H4 H 0.7041 0.5546 0.4679 0.035 Uiso 1 1 calc R . .
C5 C 0.7788(4) 0.5426(3) 0.6086(6) 0.0244(18) Uani 1 1 d . . .
C6 C 0.7885(4) 0.5349(3) 0.7012(6) 0.029(2) Uani 1 1 d . . .
H6 H 0.8319 0.5342 0.7582 0.035 Uiso 1 1 calc R . .
C7 C 0.7331(4) 0.5283(3) 0.7074(7) 0.032(2) Uani 1 1 d . . .
H7 H 0.7407 0.5245 0.7697 0.039 Uiso 1 1 calc R . .
C8 C 0.8352(4) 0.5418(3) 0.5947(6) 0.033(2) Uani 1 1 d . . .
H8 H 0.8242 0.5635 0.5415 0.040 Uiso 1 1 calc R . .
C9 C 0.9020(4) 0.5544(4) 0.6813(7) 0.048(3) Uani 1 1 d . . .
H9A H 0.9346 0.5532 0.6640 0.072 Uiso 1 1 calc R . .
H9B H 0.9146 0.5333 0.7343 0.072 Uiso 1 1 calc R . .
H9C H 0.9004 0.5850 0.7019 0.072 Uiso 1 1 calc R . .
C10 C 0.8371(6) 0.4942(4) 0.5589(9) 0.066(3) Uani 1 1 d . . .
H10A H 0.8728 0.4926 0.5481 0.099 Uiso 1 1 calc R . .
H10B H 0.7949 0.4878 0.4981 0.099 Uiso 1 1 calc R . .
H10C H 0.8450 0.4720 0.6079 0.099 Uiso 1 1 calc R . .
C11 C 0.7911(4) 0.6899(3) 0.7672(6) 0.031(2) Uani 1 1 d . . .
C12 C 0.7724(4) 0.6975(3) 0.6774(6) 0.0251(19) Uani 1 1 d . . .
C13 C 0.7495(4) 0.6610(3) 0.6031(6) 0.0238(18) Uani 1 1 d . . .
C14 C 0.6803(4) 0.6519(3) 0.5347(6) 0.0263(19) Uani 1 1 d . . .
C15 C 0.8179(5) 0.7250(3) 0.8477(7) 0.052(3) Uani 1 1 d . . .
H15A H 0.8290 0.7104 0.9081 0.079 Uiso 1 1 calc R . .
H15B H 0.7843 0.7481 0.8297 0.079 Uiso 1 1 calc R . .
H15C H 0.8576 0.7389 0.8571 0.079 Uiso 1 1 calc R . .
C16 C 0.7736(4) 0.7442(3) 0.6401(7) 0.037(2) Uani 1 1 d . . .
H16A H 0.7567 0.7424 0.5711 0.055 Uiso 1 1 calc R . .
H16B H 0.8190 0.7555 0.6762 0.055 Uiso 1 1 calc R . .
H16C H 0.7458 0.7647 0.6492 0.055 Uiso 1 1 calc R . .
C17 C 0.7938(4) 0.6580(3) 0.5641(6) 0.033(2) Uani 1 1 d . . .
H17A H 0.8395 0.6649 0.6162 0.049 Uiso 1 1 calc R . .
H17B H 0.7786 0.6796 0.5111 0.049 Uiso 1 1 calc R . .
H17C H 0.7917 0.6275 0.5400 0.049 Uiso 1 1 calc R . .
C18 C 0.6478(4) 0.6438(3) 0.4285(6) 0.042(2) Uani 1 1 d . . .
H18A H 0.6006 0.6381 0.3985 0.063 Uiso 1 1 calc R . .
H18B H 0.6681 0.6176 0.4189 0.063 Uiso 1 1 calc R . .
H18C H 0.6534 0.6703 0.3986 0.063 Uiso 1 1 calc R . .
C19 C 0.6354(4) 0.7009(3) 0.6485(6) 0.0277(19) Uani 1 1 d . . .
C20 C 0.6410(5) 0.7056(3) 0.7349(7) 0.047(3) Uani 1 1 d . . .
H20 H 0.6515 0.6800 0.7754 0.057 Uiso 1 1 calc R . .
C21 C 0.6321(6) 0.7459(4) 0.7639(9) 0.066(3) Uani 1 1 d . . .
H21 H 0.6348 0.7479 0.8233 0.079 Uiso 1 1 calc R . .
C22 C 0.6193(6) 0.7833(4) 0.7104(9) 0.066(3) Uani 1 1 d . . .
H22 H 0.6159 0.8117 0.7334 0.079 Uiso 1 1 calc R . .
C23 C 0.6113(6) 0.7794(3) 0.6217(9) 0.063(3) Uani 1 1 d . . .
H23 H 0.5994 0.8052 0.5815 0.076 Uiso 1 1 calc R . .
C24 C 0.6204(5) 0.7389(3) 0.5901(8) 0.049(3) Uani 1 1 d . . .
H24 H 0.6165 0.7368 0.5299 0.058 Uiso 1 1 calc R . .
C25 C 0.5518(4) 0.6328(3) 0.5206(6) 0.033(2) Uani 1 1 d . . .
C26 C 0.5261(4) 0.6091(3) 0.5635(7) 0.042(2) Uani 1 1 d . . .
H26 H 0.5544 0.5992 0.6286 0.050 Uiso 1 1 calc R . .
C27 C 0.4601(5) 0.5997(4) 0.5134(10) 0.062(3) Uani 1 1 d . . .
H27 H 0.4429 0.5826 0.5430 0.075 Uiso 1 1 calc R . .
C28 C 0.4182(5) 0.6152(4) 0.4190(9) 0.063(3) Uani 1 1 d . . .
H28 H 0.3722 0.6094 0.3848 0.076 Uiso 1 1 calc R . .
C29 C 0.4429(5) 0.6386(4) 0.3755(8) 0.062(3) Uani 1 1 d . . .
H29 H 0.4139 0.6488 0.3108 0.075 Uiso 1 1 calc R . .
C30 C 0.5103(4) 0.6477(3) 0.4250(6) 0.043(2) Uani 1 1 d . . .
H30 H 0.5276 0.6637 0.3943 0.052 Uiso 1 1 calc R . .
C31 C 0.7603(4) 0.6233(3) 0.8749(6) 0.030(2) Uani 1 1 d . . .
C32 C 0.7999(5) 0.6403(4) 0.9691(7) 0.053(3) Uani 1 1 d . . .
H32 H 0.8399 0.6558 0.9897 0.064 Uiso 1 1 calc R . .
C33 C 0.7794(6) 0.6340(4) 1.0324(8) 0.068(3) Uani 1 1 d . . .
H33 H 0.8055 0.6452 1.0968 0.081 Uiso 1 1 calc R . .
C34 C 0.7221(6) 0.6118(5) 1.0014(9) 0.071(4) Uani 1 1 d . . .
H34 H 0.7090 0.6071 1.0452 0.085 Uiso 1 1 calc R . .
C35 C 0.6831(5) 0.5963(4) 0.9088(8) 0.051(3) Uani 1 1 d . . .
H35 H 0.6423 0.5819 0.8873 0.061 Uiso 1 1 calc R . .
C36 C 0.7032(4) 0.6016(3) 0.8480(6) 0.032(2) Uani 1 1 d . . .
H36 H 0.6766 0.5897 0.7842 0.039 Uiso 1 1 calc R . .
C37 C 0.8738(4) 0.6124(3) 0.8675(6) 0.031(2) Uani 1 1 d . . .
C38 C 0.8894(4) 0.5738(3) 0.9234(6) 0.040(2) Uani 1 1 d . . .
H38 H 0.8560 0.5577 0.9243 0.048 Uiso 1 1 calc R . .
C39 C 0.9541(4) 0.5590(4) 0.9778(7) 0.048(3) Uani 1 1 d . . .
H39 H 0.9652 0.5332 1.0176 0.058 Uiso 1 1 calc R . .
C40 C 1.0025(5) 0.5810(4) 0.9753(7) 0.051(3) Uani 1 1 d . . .
H40 H 1.0466 0.5701 1.0114 0.061 Uiso 1 1 calc R . .
C41 C 0.9864(4) 0.6187(3) 0.9205(7) 0.044(2) Uani 1 1 d . . .
H41 H 1.0204 0.6342 0.9202 0.053 Uiso 1 1 calc R . .
C42 C 0.9233(4) 0.6352(3) 0.8656(6) 0.035(2) Uani 1 1 d . . .
H42 H 0.9136 0.6615 0.8273 0.042 Uiso 1 1 calc R . .
Sb1 Sb 0.20895(3) 0.594514(19) 0.18510(4) 0.02720(16) Uani 1 1 d U . .
F1 F 0.2670(3) 0.5775(2) 0.1497(4) 0.0665(17) Uani 1 1 d U . .
F2 F 0.1508(3) 0.6100(2) 0.2205(4) 0.0583(16) Uani 1 1 d U . .
F3 F 0.2538(3) 0.64898(18) 0.2343(5) 0.0736(19) Uani 1 1 d U . .
F4 F 0.1525(2) 0.62024(18) 0.0623(3) 0.0422(13) Uani 1 1 d U . .
F5 F 0.1642(3) 0.53915(17) 0.1358(4) 0.0541(15) Uani 1 1 d U . .
F6 F 0.2665(2) 0.56746(15) 0.3067(3) 0.0390(12) Uani 1 1 d U . .
Sb2 Sb 0.5000 0.48885(3) 0.7500 0.0353(2) Uani 1 2 d SU . .
F7 F 0.5112(3) 0.4891(4) 0.8702(5) 0.127(4) Uani 1 1 d U A .
F8 F 0.5701(14) 0.4520(10) 0.7997(15) 0.121(12) Uani 0.39(2) 1 d PU A 1
F9 F 0.5597(13) 0.5356(10) 0.785(2) 0.137(11) Uani 0.39(2) 1 d PU A 1
F10 F 0.5909(6) 0.4925(8) 0.8138(9) 0.109(8) Uani 0.61(2) 1 d PU A 2
F11 F 0.5000 0.4301(7) 0.7500 0.153(9) Uani 0.61(2) 2 d SPU A 2
F12 F 0.5000 0.5474(8) 0.7500 0.208(12) Uani 0.61(2) 2 d SPU A 2
Sb3 Sb 0.5000 0.76521(3) 0.2500 0.0302(2) Uani 1 2 d SU . .
F13 F 0.5000 0.8269(3) 0.2500 0.134(5) Uani 1 2 d SU . .
F14 F 0.4206(3) 0.7628(3) 0.1314(5) 0.100(3) Uani 1 1 d U . .
F15 F 0.5438(3) 0.7644(2) 0.1859(5) 0.0664(17) Uani 1 1 d U . .
F16 F 0.5000 0.7032(3) 0.2500 0.078(3) Uani 1 2 d SU . .
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'
Sb Sb -0.5866 1.5461 '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'
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
P1 Ru P2 91.16(8) . . ?
P1 Ru C2 103.3(2) . . ?
P1 Ru C3 98.9(2) . . ?
P1 Ru C4 119.5(2) . . ?
P1 Ru C5 152.9(2) . . ?
P1 Ru C6 164.3(2) . . ?
P1 Ru C7 127.7(2) . . ?
P1 Ru C13 71.6(2) . . ?
P1 Ru C14 46.6(2) . . ?
P2 Ru C2 119.6(2) . . ?
P2 Ru C3 154.6(2) . . ?
P2 Ru C4 148.4(2) . . ?
P2 Ru C5 113.6(2) . . ?
P2 Ru C6 89.4(2) . . ?
P2 Ru C7 93.1(2) . . ?
P2 Ru C13 77.9(2) . . ?
P2 Ru C14 105.6(2) . . ?
C2 Ru C3 35.3(3) . . ?
C2 Ru C4 63.9(3) . . ?
C2 Ru C5 74.8(3) . . ?
C2 Ru C6 63.2(3) . . ?
C2 Ru C7 33.7(3) . . ?
C2 Ru C13 162.2(3) . . ?
C2 Ru C14 126.8(3) . . ?
C3 Ru C4 36.1(3) . . ?
C3 Ru C5 63.5(3) . . ?
C3 Ru C6 74.8(3) . . ?
C3 Ru C7 62.3(3) . . ?
C3 Ru C13 127.4(3) . . ?
C3 Ru C14 98.2(3) . . ?
C4 Ru C5 34.8(3) . . ?
C4 Ru C6 63.4(3) . . ?
C4 Ru C7 74.9(3) . . ?
C4 Ru C13 103.1(3) . . ?
C4 Ru C14 91.9(3) . . ?
C5 Ru C6 35.8(3) . . ?
C5 Ru C7 64.5(3) . . ?
C5 Ru C13 101.8(3) . . ?
C5 Ru C14 112.4(3) . . ?
C6 Ru C7 36.6(3) . . ?
C6 Ru C13 123.7(3) . . ?
C6 Ru C14 147.5(3) . . ?
C7 Ru C13 159.3(3) . . ?
C7 Ru C14 160.0(3) . . ?
C13 Ru C14 37.8(3) . . ?
Ru P1 C14 63.6(2) . . ?
Ru P1 C19 132.4(3) . . ?
Ru P1 C25 121.9(3) . . ?
C14 P1 C19 114.2(4) . . ?
C14 P1 C25 115.8(4) . . ?
C19 P1 C25 102.3(4) . . ?
Ru P2 C11 106.2(3) . . ?
Ru P2 C31 115.2(3) . . ?
Ru P2 C37 116.7(3) . . ?
C11 P2 C31 111.6(4) . . ?
C11 P2 C37 105.5(4) . . ?
C31 P2 C37 101.4(4) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1A C1 C2 109.5 . . ?
H1B C1 H1C 109.5 . . ?
H1B C1 C2 109.5 . . ?
H1C C1 C2 109.5 . . ?
Ru C2 C1 135.7(6) . . ?
Ru C2 C3 68.6(5) . . ?
Ru C2 C7 68.7(5) . . ?
C1 C2 C3 121.8(9) . . ?
C1 C2 C7 121.6(9) . . ?
C3 C2 C7 116.6(8) . . ?
Ru C3 C2 76.1(5) . . ?
Ru C3 H3 123.2 . . ?
Ru C3 C4 73.2(5) . . ?
C2 C3 H3 118.9 . . ?
C2 C3 C4 122.2(9) . . ?
H3 C3 C4 118.9 . . ?
Ru C4 C3 70.7(5) . . ?
Ru C4 H4 125.5 . . ?
Ru C4 C5 76.0(4) . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 120.9(8) . . ?
H4 C4 C5 119.5 . . ?
Ru C5 C4 69.2(4) . . ?
Ru C5 C6 68.4(4) . . ?
Ru C5 C8 137.8(5) . . ?
C4 C5 C6 116.0(7) . . ?
C4 C5 C8 121.4(7) . . ?
C6 C5 C8 122.3(7) . . ?
Ru C6 C5 75.8(5) . . ?
Ru C6 H6 125.5 . . ?
Ru C6 C7 70.3(5) . . ?
C5 C6 H6 120.1 . . ?
C5 C6 C7 119.8(8) . . ?
H6 C6 C7 120.1 . . ?
Ru C7 C2 77.7(5) . . ?
Ru C7 C6 73.1(5) . . ?
Ru C7 H7 122.2 . . ?
C2 C7 C6 123.5(8) . . ?
C2 C7 H7 118.2 . . ?
C6 C7 H7 118.2 . . ?
C5 C8 H8 107.6 . . ?
C5 C8 C9 116.3(7) . . ?
C5 C8 C10 107.1(7) . . ?
H8 C8 C9 107.6 . . ?
H8 C8 C10 107.6 . . ?
C9 C8 C10 110.3(8) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
P2 C11 C12 112.9(6) . . ?
P2 C11 C15 121.1(7) . . ?
C12 C11 C15 125.9(8) . . ?
C11 C12 C13 123.0(7) . . ?
C11 C12 C16 122.9(8) . . ?
C13 C12 C16 114.1(7) . . ?
Ru C13 C12 114.7(5) . . ?
Ru C13 C14 70.1(4) . . ?
Ru C13 C17 117.7(5) . . ?
C12 C13 C14 121.5(7) . . ?
C12 C13 C17 111.1(7) . . ?
C14 C13 C17 116.4(7) . . ?
Ru C14 P1 69.8(3) . . ?
Ru C14 C13 72.1(4) . . ?
Ru C14 C18 122.2(6) . . ?
P1 C14 C13 110.5(5) . . ?
P1 C14 C18 123.8(6) . . ?
C13 C14 C18 125.6(7) . . ?
C11 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
C11 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P1 C19 C20 126.0(7) . . ?
P1 C19 C24 115.2(7) . . ?
C20 C19 C24 118.6(8) . . ?
C19 C20 H20 119.4 . . ?
C19 C20 C21 121.3(10) . . ?
H20 C20 C21 119.4 . . ?
C20 C21 H21 119.3 . . ?
C20 C21 C22 121.4(11) . . ?
H21 C21 C22 119.3 . . ?
C21 C22 H22 120.7 . . ?
C21 C22 C23 118.7(10) . . ?
H22 C22 C23 120.7 . . ?
C22 C23 H23 119.3 . . ?
C22 C23 C24 121.3(10) . . ?
H23 C23 C24 119.3 . . ?
C19 C24 C23 118.6(10) . . ?
C19 C24 H24 120.7 . . ?
C23 C24 H24 120.7 . . ?
P1 C25 C26 117.6(6) . . ?
P1 C25 C30 122.1(7) . . ?
C26 C25 C30 119.9(8) . . ?
C25 C26 H26 119.7 . . ?
C25 C26 C27 120.5(10) . . ?
H26 C26 C27 119.7 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.0(11) . . ?
H27 C27 C28 120.0 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.2(10) . . ?
H28 C28 C29 119.9 . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C30 120.6(10) . . ?
H29 C29 C30 119.7 . . ?
C25 C30 C29 118.8(9) . . ?
C25 C30 H30 120.6 . . ?
C29 C30 H30 120.6 . . ?
P2 C31 C32 118.6(7) . . ?
P2 C31 C36 122.4(6) . . ?
C32 C31 C36 118.9(8) . . ?
C31 C32 H32 120.8 . . ?
C31 C32 C33 118.4(9) . . ?
H32 C32 C33 120.8 . . ?
C32 C33 H33 120.1 . . ?
C32 C33 C34 119.9(10) . . ?
H33 C33 C34 120.1 . . ?
C33 C34 H34 119.4 . . ?
C33 C34 C35 121.2(10) . . ?
H34 C34 C35 119.4 . . ?
C34 C35 H35 120.4 . . ?
C34 C35 C36 119.1(10) . . ?
H35 C35 C36 120.4 . . ?
C31 C36 C35 122.3(9) . . ?
C31 C36 H36 118.8 . . ?
C35 C36 H36 118.8 . . ?
P2 C37 C38 119.6(6) . . ?
P2 C37 C42 120.6(7) . . ?
C38 C37 C42 119.7(8) . . ?
C37 C38 H38 120.4 . . ?
C37 C38 C39 119.3(9) . . ?
H38 C38 C39 120.4 . . ?
C38 C39 H39 119.4 . . ?
C38 C39 C40 121.2(9) . . ?
H39 C39 C40 119.4 . . ?
C39 C40 H40 120.6 . . ?
C39 C40 C41 118.7(9) . . ?
H40 C40 C41 120.6 . . ?
C40 C41 H41 118.5 . . ?
C40 C41 C42 123.0(9) . . ?
H41 C41 C42 118.5 . . ?
C37 C42 C41 118.1(8) . . ?
C37 C42 H42 121.0 . . ?
C41 C42 H42 121.0 . . ?
F1 Sb1 F2 178.7(3) . . ?
F1 Sb1 F3 90.7(3) . . ?
F1 Sb1 F4 89.8(2) . . ?
F1 Sb1 F5 89.0(3) . . ?
F1 Sb1 F6 88.7(2) . . ?
F2 Sb1 F3 90.5(3) . . ?
F2 Sb1 F4 90.7(2) . . ?
F2 Sb1 F5 89.8(3) . . ?
F2 Sb1 F6 90.8(2) . . ?
F3 Sb1 F4 91.2(2) . . ?
F3 Sb1 F5 179.5(3) . . ?
F3 Sb1 F6 89.7(2) . . ?
F4 Sb1 F5 89.2(2) . . ?
F4 Sb1 F6 178.3(2) . . ?
F5 Sb1 F6 90.0(2) . . ?
F7 Sb2 F7 179.5(7) . 2_656 ?
F7 Sb2 F8 88.4(7) . . ?
F7 Sb2 F8 91.9(7) . 2_656 ?
F7 Sb2 F8 91.9(7) 2_656 . ?
F7 Sb2 F8 88.4(7) 2_656 2_656 ?
F7 Sb2 F9 92.2(10) . . ?
F7 Sb2 F9 87.5(10) 2_656 . ?
F7 Sb2 F9 87.5(10) . 2_656 ?
F7 Sb2 F9 92.2(10) 2_656 2_656 ?
F7 Sb2 F10 88.1(5) . . ?
F7 Sb2 F10 91.8(4) . 2_656 ?
F7 Sb2 F10 91.8(4) 2_656 . ?
F7 Sb2 F10 88.1(5) 2_656 2_656 ?
F7 Sb2 F11 90.3(3) . . ?
F7 Sb2 F11 90.3(3) 2_656 . ?
F7 Sb2 F12 89.7(3) . . ?
F7 Sb2 F12 89.7(3) 2_656 . ?
F8 Sb2 F8 105(2) . 2_656 ?
F8 Sb2 F9 86.2(14) . . ?
F8 Sb2 F9 168.3(18) 2_656 . ?
F8 Sb2 F9 168.3(18) . 2_656 ?
F8 Sb2 F9 86.2(14) 2_656 2_656 ?
F8 Sb2 F10 41.0(10) . . ?
F8 Sb2 F10 145.9(18) 2_656 . ?
F8 Sb2 F10 145.9(18) . 2_656 ?
F8 Sb2 F10 41.0(10) 2_656 2_656 ?
F8 Sb2 F11 52.5(12) . . ?
F8 Sb2 F11 52.5(12) 2_656 . ?
F8 Sb2 F12 127.5(12) . . ?
F8 Sb2 F12 127.5(12) 2_656 . ?
F9 Sb2 F9 83(2) . 2_656 ?
F9 Sb2 F10 45.3(9) . . ?
F9 Sb2 F10 127.9(16) . 2_656 ?
F9 Sb2 F10 127.9(16) 2_656 . ?
F9 Sb2 F10 45.3(9) 2_656 2_656 ?
F9 Sb2 F11 138.5(10) . . ?
F9 Sb2 F11 138.5(10) 2_656 . ?
F9 Sb2 F12 41.5(10) . . ?
F9 Sb2 F12 41.5(10) 2_656 . ?
F10 Sb2 F10 173.2(15) . 2_656 ?
F10 Sb2 F11 93.4(8) . . ?
F10 Sb2 F11 93.4(8) 2_656 . ?
F10 Sb2 F12 86.6(8) . . ?
F10 Sb2 F12 86.6(8) 2_656 . ?
F11 Sb2 F12 180.000(5) . . ?
F13 Sb3 F14 92.3(3) . . ?
F13 Sb3 F14 92.3(3) . 2_655 ?
F13 Sb3 F15 90.70(19) . . ?
F13 Sb3 F15 90.70(19) . 2_655 ?
F13 Sb3 F16 180.000(2) . . ?
F14 Sb3 F14 175.5(6) . 2_655 ?
F14 Sb3 F15 89.1(3) . . ?
F14 Sb3 F15 90.8(3) 2_655 . ?
F14 Sb3 F15 89.1(3) 2_655 2_655 ?
F14 Sb3 F15 90.8(3) . 2_655 ?
F14 Sb3 F16 87.7(3) . . ?
F14 Sb3 F16 87.7(3) 2_655 . ?
F15 Sb3 F15 178.6(4) . 2_655 ?
F15 Sb3 F16 89.30(19) . . ?
F15 Sb3 F16 89.30(19) 2_655 . ?
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 P1 2.315(2) . ?
Ru P2 2.315(2) . ?
Ru C2 2.355(9) . ?
Ru C3 2.260(8) . ?
Ru C4 2.292(7) . ?
Ru C5 2.379(8) . ?
Ru C6 2.282(8) . ?
Ru C7 2.246(8) . ?
Ru C13 2.237(7) . ?
Ru C14 2.211(7) . ?
P1 C14 1.793(8) . ?
P1 C19 1.809(8) . ?
P1 C25 1.813(8) . ?
P2 C11 1.809(9) . ?
P2 C31 1.845(8) . ?
P2 C37 1.837(8) . ?
C1 H1A 0.980 . ?
C1 H1B 0.980 . ?
C1 H1C 0.980 . ?
C1 C2 1.494(12) . ?
C2 C3 1.402(12) . ?
C2 C7 1.337(12) . ?
C3 H3 0.950 . ?
C3 C4 1.410(11) . ?
C4 H4 0.950 . ?
C4 C5 1.400(11) . ?
C5 C6 1.435(11) . ?
C5 C8 1.511(11) . ?
C6 H6 0.950 . ?
C6 C7 1.420(11) . ?
C7 H7 0.950 . ?
C8 H8 1.000 . ?
C8 C9 1.502(12) . ?
C8 C10 1.546(12) . ?
C9 H9A 0.980 . ?
C9 H9B 0.980 . ?
C9 H9C 0.980 . ?
C10 H10A 0.980 . ?
C10 H10B 0.980 . ?
C10 H10C 0.980 . ?
C11 C12 1.311(11) . ?
C11 C15 1.526(11) . ?
C12 C13 1.499(11) . ?
C12 C16 1.526(11) . ?
C13 C14 1.441(11) . ?
C13 C17 1.537(10) . ?
C14 C18 1.495(11) . ?
C15 H15A 0.980 . ?
C15 H15B 0.980 . ?
C15 H15C 0.980 . ?
C16 H16A 0.980 . ?
C16 H16B 0.980 . ?
C16 H16C 0.980 . ?
C17 H17A 0.980 . ?
C17 H17B 0.980 . ?
C17 H17C 0.980 . ?
C18 H18A 0.980 . ?
C18 H18B 0.980 . ?
C18 H18C 0.980 . ?
C19 C20 1.366(12) . ?
C19 C24 1.399(12) . ?
C20 H20 0.950 . ?
C20 C21 1.354(13) . ?
C21 H21 0.950 . ?
C21 C22 1.346(15) . ?
C22 H22 0.950 . ?
C22 C23 1.375(16) . ?
C23 H23 0.950 . ?
C23 C24 1.380(14) . ?
C24 H24 0.950 . ?
C25 C26 1.373(12) . ?
C25 C30 1.397(12) . ?
C26 H26 0.950 . ?
C26 C27 1.367(13) . ?
C27 H27 0.950 . ?
C27 C28 1.389(16) . ?
C28 H28 0.950 . ?
C28 C29 1.355(15) . ?
C29 H29 0.950 . ?
C29 C30 1.395(13) . ?
C30 H30 0.950 . ?
C31 C32 1.398(12) . ?
C31 C36 1.365(11) . ?
C32 H32 0.950 . ?
C32 C33 1.401(13) . ?
C33 H33 0.950 . ?
C33 C34 1.360(16) . ?
C34 H34 0.950 . ?
C34 C35 1.362(15) . ?
C35 H35 0.950 . ?
C35 C36 1.351(11) . ?
C36 H36 0.950 . ?
C37 C38 1.389(12) . ?
C37 C42 1.399(11) . ?
C38 H38 0.950 . ?
C38 C39 1.383(12) . ?
C39 H39 0.950 . ?
C39 C40 1.365(13) . ?
C40 H40 0.950 . ?
C40 C41 1.355(13) . ?
C41 H41 0.950 . ?
C41 C42 1.370(12) . ?
C42 H42 0.950 . ?
Sb1 F1 1.873(5) . ?
Sb1 F2 1.863(5) . ?
Sb1 F3 1.868(5) . ?
Sb1 F4 1.875(4) . ?
Sb1 F5 1.891(5) . ?
Sb1 F6 1.882(4) . ?
Sb2 F7 1.855(6) . ?
Sb2 F7 1.855(6) 2_656 ?
Sb2 F8 1.797(18) . ?
Sb2 F8 1.797(18) 2_656 ?
Sb2 F9 1.86(2) . ?
Sb2 F9 1.86(2) 2_656 ?
Sb2 F10 1.851(11) . ?
Sb2 F10 1.851(11) 2_656 ?
Sb2 F11 1.75(2) . ?
Sb2 F12 1.74(2) . ?
Sb3 F13 1.835(9) . ?
Sb3 F14 1.842(6) . ?
Sb3 F14 1.842(6) 2_655 ?
Sb3 F15 1.873(5) . ?
Sb3 F15 1.873(5) 2_655 ?
Sb3 F16 1.844(8) . ?
