#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/04/4060497.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_4060497
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         'C46 H52 Cl P2 Ru +, Sb F6 -, 2 C H Cl3'
_chemical_formula_sum            'C48 H54 Cl7 F6 P2 Ru Sb'
_chemical_formula_weight         1277.82
_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                 97.250(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1035(5)
_cell_length_b                   28.610(5)
_cell_length_c                   18.303(5)
_cell_measurement_reflns_used    2094
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.25
_cell_volume                     5248.4(16)
_computing_cell_refinement       EvalCCD
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        EvalCCD
_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 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       'φ and 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  0.0637
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            94570
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         4.13
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.274
_exptl_absorpt_correction_T_max  0.749
_exptl_absorpt_correction_T_min  0.557
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2560
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.993
_refine_diff_density_min         -0.717
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         9109
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0569
_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)+(0.0819P)²+16.5145P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1509
_refine_ls_wR_factor_ref         0.1599
_reflns_number_gt                7235
_reflns_number_total             9109
_reflns_threshold_expression     I>2σ(I)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060497
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 0.74311(4) 0.629358(15) 0.28906(3) 0.02070(14) Uani 1 1 d . . .
P1 P 0.71139(13) 0.57771(5) 0.18889(8) 0.0199(3) Uani 1 1 d . . .
P2 P 0.64132(14) 0.57080(5) 0.35830(8) 0.0228(3) Uani 1 1 d . . .
Cl1 Cl 0.95670(13) 0.59151(5) 0.31726(8) 0.0254(3) Uani 1 1 d . . .
C1 C 0.6059(8) 0.6999(2) 0.1375(4) 0.0444(17) Uani 1 1 d . . .
H1A H 0.5936 0.7333 0.1270 0.067 Uiso 1 1 calc R . .
H1B H 0.5192 0.6841 0.1301 0.067 Uiso 1 1 calc R . .
H1C H 0.6647 0.6864 0.1044 0.067 Uiso 1 1 calc R . .
C2 C 0.6683(6) 0.69346(19) 0.2167(4) 0.0306(14) Uani 1 1 d . . .
C3 C 0.8104(6) 0.6962(2) 0.2346(4) 0.0363(15) Uani 1 1 d . . .
H3 H 0.8661 0.6987 0.1967 0.044 Uiso 1 1 calc R . .
C4 C 0.8671(6) 0.6952(2) 0.3100(4) 0.0420(18) Uani 1 1 d . . .
H4 H 0.9614 0.6961 0.3213 0.050 Uiso 1 1 calc R . .
C5 C 0.7881(7) 0.6929(2) 0.3692(4) 0.0353(15) Uani 1 1 d . . .
C6 C 0.6496(7) 0.6884(2) 0.3491(4) 0.0351(15) Uani 1 1 d . . .
H6 H 0.5939 0.6851 0.3869 0.042 Uiso 1 1 calc R . .
C7 C 0.5902(6) 0.6887(2) 0.2751(4) 0.0315(14) Uani 1 1 d . . .
H7 H 0.4962 0.6857 0.2643 0.038 Uiso 1 1 calc R . .
C8 C 0.8385(8) 0.6979(3) 0.4529(5) 0.058(2) Uani 1 1 d . . .
H8 H 0.7889 0.6752 0.4809 0.070 Uiso 1 1 calc R . .
C9 C 0.9857(8) 0.6873(3) 0.4682(5) 0.066(2) Uani 1 1 d . . .
H9A H 1.0360 0.7113 0.4451 0.099 Uiso 1 1 calc R . .
H9B H 1.0035 0.6566 0.4479 0.099 Uiso 1 1 calc R . .
H9C H 1.0132 0.6872 0.5215 0.099 Uiso 1 1 calc R . .
C10 C 0.8071(12) 0.7474(4) 0.4768(6) 0.091(4) Uani 1 1 d . . .
H10A H 0.8487 0.7701 0.4467 0.137 Uiso 1 1 calc R . .
H10B H 0.8421 0.7518 0.5288 0.137 Uiso 1 1 calc R . .
H10C H 0.7102 0.7521 0.4703 0.137 Uiso 1 1 calc R . .
C11 C 0.7826(6) 0.59935(19) 0.1077(3) 0.0257(13) Uani 1 1 d . . .
C12 C 0.7138(7) 0.5961(2) 0.0368(3) 0.0325(14) Uani 1 1 d . . .
H12 H 0.6257 0.5838 0.0301 0.039 Uiso 1 1 calc R . .
C13 C 0.7726(8) 0.6104(2) -0.0241(4) 0.0457(18) Uani 1 1 d . . .
H13 H 0.7252 0.6073 -0.0720 0.055 Uiso 1 1 calc R . .
C14 C 0.8991(8) 0.6292(2) -0.0153(4) 0.0460(18) Uani 1 1 d . . .
H14 H 0.9391 0.6385 -0.0572 0.055 Uiso 1 1 calc R . .
C15 C 0.9691(7) 0.6346(2) 0.0555(4) 0.0387(16) Uani 1 1 d . . .
H15 H 1.0556 0.6482 0.0619 0.046 Uiso 1 1 calc R . .
C16 C 0.9100(6) 0.6198(2) 0.1164(4) 0.0293(13) Uani 1 1 d . . .
H16 H 0.9566 0.6235 0.1645 0.035 Uiso 1 1 calc R . .
C17 C 0.5385(5) 0.56382(19) 0.1505(3) 0.0231(12) Uani 1 1 d . . .
C18 C 0.4363(6) 0.5942(2) 0.1610(3) 0.0297(14) Uani 1 1 d . . .
H18 H 0.4550 0.6210 0.1913 0.036 Uiso 1 1 calc R . .
C19 C 0.3067(6) 0.5863(3) 0.1280(4) 0.0400(17) Uani 1 1 d . . .
H19 H 0.2378 0.6078 0.1355 0.048 Uiso 1 1 calc R . .
C20 C 0.2777(7) 0.5475(3) 0.0843(4) 0.0443(18) Uani 1 1 d . . .
H20 H 0.1891 0.5422 0.0617 0.053 Uiso 1 1 calc R . .
C21 C 0.3786(7) 0.5161(2) 0.0735(4) 0.0414(17) Uani 1 1 d . . .
H21 H 0.3583 0.4890 0.0441 0.050 Uiso 1 1 calc R . .
C22 C 0.5097(6) 0.5240(2) 0.1056(3) 0.0298(14) Uani 1 1 d . . .
H22 H 0.5787 0.5029 0.0973 0.036 Uiso 1 1 calc R . .
C23 C 0.7984(5) 0.52176(19) 0.2110(3) 0.0216(12) Uani 1 1 d . . .
C24 C 0.9331(5) 0.5144(2) 0.1838(3) 0.0253(13) Uani 1 1 d . . .
H24A H 0.9936 0.4981 0.2223 0.030 Uiso 1 1 calc R . .
H24B H 0.9731 0.5452 0.1751 0.030 Uiso 1 1 calc R . .
C25 C 0.9202(7) 0.4859(2) 0.1127(4) 0.0406(16) Uani 1 1 d . . .
H25A H 0.8745 0.4564 0.1202 0.061 Uiso 1 1 calc R . .
H25B H 1.0092 0.4793 0.0994 0.061 Uiso 1 1 calc R . .
H25C H 0.8686 0.5036 0.0731 0.061 Uiso 1 1 calc R . .
C26 C 0.7479(5) 0.49031(19) 0.2542(3) 0.0234(12) Uani 1 1 d . . .
C27 C 0.8253(6) 0.4474(2) 0.2865(4) 0.0317(14) Uani 1 1 d . . .
H27A H 0.8341 0.4491 0.3409 0.038 Uiso 1 1 calc R . .
H27B H 0.9163 0.4481 0.2717 0.038 Uiso 1 1 calc R . .
C28 C 0.7587(8) 0.4009(2) 0.2614(5) 0.053(2) Uani 1 1 d . . .
H28A H 0.7609 0.3967 0.2079 0.064 Uiso 1 1 calc R . .
H28B H 0.8085 0.3747 0.2874 0.064 Uiso 1 1 calc R . .
C29 C 0.6140(8) 0.4001(2) 0.2778(5) 0.053(2) Uani 1 1 d . . .
H29A H 0.6123 0.3994 0.3318 0.063 Uiso 1 1 calc R . .
H29B H 0.5693 0.3715 0.2566 0.063 Uiso 1 1 calc R . .
C30 C 0.5389(7) 0.4433(2) 0.2453(4) 0.0361(15) Uani 1 1 d . . .
H30A H 0.4467 0.4427 0.2583 0.043 Uiso 1 1 calc R . .
H30B H 0.5336 0.4422 0.1910 0.043 Uiso 1 1 calc R . .
C31 C 0.6071(6) 0.4891(2) 0.2736(3) 0.0272(13) Uani 1 1 d . . .
C32 C 0.5497(6) 0.5187(2) 0.3166(3) 0.0270(13) Uani 1 1 d . . .
C33 C 0.4161(6) 0.5062(2) 0.3422(4) 0.0349(15) Uani 1 1 d . . .
H33A H 0.4184 0.4728 0.3563 0.042 Uiso 1 1 calc R . .
H33B H 0.4065 0.5246 0.3870 0.042 Uiso 1 1 calc R . .
C34 C 0.2930(6) 0.5145(3) 0.2866(4) 0.0488(19) Uani 1 1 d . . .
H34A H 0.2750 0.5481 0.2823 0.073 Uiso 1 1 calc R . .
H34B H 0.2161 0.4986 0.3033 0.073 Uiso 1 1 calc R . .
H34C H 0.3085 0.5020 0.2386 0.073 Uiso 1 1 calc R . .
C35 C 0.5150(5) 0.6005(2) 0.4070(3) 0.0263(13) Uani 1 1 d . . .
C36 C 0.5353(6) 0.6078(2) 0.4824(3) 0.0292(13) Uani 1 1 d . . .
H36 H 0.6113 0.5949 0.5112 0.035 Uiso 1 1 calc R . .
C37 C 0.4431(7) 0.6345(2) 0.5160(4) 0.0402(16) Uani 1 1 d . . .
H37 H 0.4581 0.6402 0.5675 0.048 Uiso 1 1 calc R . .
C38 C 0.3294(7) 0.6528(3) 0.4741(4) 0.0481(19) Uani 1 1 d . . .
H38 H 0.2675 0.6709 0.4971 0.058 Uiso 1 1 calc R . .
C39 C 0.3076(7) 0.6446(3) 0.3990(4) 0.0424(17) Uani 1 1 d . . .
H39 H 0.2299 0.6564 0.3702 0.051 Uiso 1 1 calc R . .
C40 C 0.4005(6) 0.6189(2) 0.3664(4) 0.0340(15) Uani 1 1 d . . .
H40 H 0.3859 0.6136 0.3147 0.041 Uiso 1 1 calc R . .
C41 C 0.7498(5) 0.5441(2) 0.4357(3) 0.0255(13) Uani 1 1 d . . .
C42 C 0.7264(6) 0.4993(2) 0.4616(3) 0.0302(14) Uani 1 1 d . . .
H42 H 0.6589 0.4802 0.4358 0.036 Uiso 1 1 calc R . .
C43 C 0.8015(6) 0.4824(2) 0.5251(4) 0.0357(15) Uani 1 1 d . . .
H43 H 0.7861 0.4516 0.5417 0.043 Uiso 1 1 calc R . .
C44 C 0.8983(6) 0.5100(2) 0.5642(3) 0.0342(15) Uani 1 1 d . . .
H44 H 0.9493 0.4982 0.6074 0.041 Uiso 1 1 calc R . .
C45 C 0.9203(6) 0.5551(2) 0.5397(4) 0.0367(15) Uani 1 1 d . . .
H45 H 0.9844 0.5746 0.5672 0.044 Uiso 1 1 calc R . .
C46 C 0.8482(6) 0.5717(2) 0.4747(3) 0.0299(14) Uani 1 1 d . . .
H46 H 0.8664 0.6019 0.4569 0.036 Uiso 1 1 calc R . .
Sb1 Sb 0.19672(4) 0.750448(14) 0.18818(3) 0.03424(15) Uani 1 1 d . . .
F1 F 0.286(2) 0.7059(6) 0.1423(13) 0.084(7) Uani 0.507(14) 1 d P A 1
F1A F 0.273(4) 0.7200(12) 0.1094(16) 0.164(18) Uani 0.507(14) 1 d P A 2
F2 F 0.1552(18) 0.7038(7) 0.2521(11) 0.104(8) Uani 0.507(14) 1 d P A 1
F2A F 0.201(3) 0.6963(7) 0.2438(19) 0.22(2) Uani 0.493(14) 1 d P A 2
F3 F 0.113(3) 0.7854(13) 0.2472(15) 0.204(18) Uani 0.507(14) 1 d P A 1
F3A F 0.1080(17) 0.7901(5) 0.2515(10) 0.060(5) Uani 0.493(14) 1 d P A 2
F4 F 0.216(3) 0.7947(11) 0.1257(15) 0.183(17) Uani 0.507(14) 1 d P A 1
F4A F 0.224(2) 0.8030(6) 0.1276(10) 0.058(5) Uani 0.493(14) 1 d P A 2
F5 F 0.3573(5) 0.7661(2) 0.2460(4) 0.0903(18) Uani 1 1 d . A .
F6 F 0.0344(5) 0.7351(2) 0.1330(3) 0.0851(17) Uani 1 1 d . A .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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 87.01(5) . . ?
P1 Ru Cl1 85.11(5) . . ?
P1 Ru C2 92.83(16) . . ?
P1 Ru C3 101.77(18) . . ?
P1 Ru C4 132.4(2) . . ?
P1 Ru C5 167.03(18) . . ?
P1 Ru C6 144.92(16) . . ?
P1 Ru C7 110.88(16) . . ?
P2 Ru Cl1 90.29(5) . . ?
P2 Ru C2 135.78(16) . . ?
P2 Ru C3 167.48(17) . . ?
P2 Ru C4 138.8(2) . . ?
P2 Ru C5 105.79(18) . . ?
P2 Ru C6 91.80(18) . . ?
P2 Ru C7 104.37(16) . . ?
Cl1 Ru C2 133.80(16) . . ?
Cl1 Ru C3 99.26(17) . . ?
Cl1 Ru C4 82.91(17) . . ?
Cl1 Ru C5 96.68(16) . . ?
Cl1 Ru C6 129.97(16) . . ?
Cl1 Ru C7 158.51(16) . . ?
C2 Ru C3 36.1(2) . . ?
C2 Ru C4 64.9(2) . . ?
C2 Ru C5 76.6(2) . . ?
C2 Ru C6 64.3(2) . . ?
C2 Ru C7 35.6(2) . . ?
C3 Ru C4 36.4(3) . . ?
C3 Ru C5 65.3(2) . . ?
C3 Ru C6 75.9(2) . . ?
C3 Ru C7 64.3(2) . . ?
C4 Ru C5 35.9(3) . . ?
C4 Ru C6 63.7(3) . . ?
C4 Ru C7 75.7(2) . . ?
C5 Ru C6 35.4(2) . . ?
C5 Ru C7 64.5(2) . . ?
C6 Ru C7 36.0(2) . . ?
Ru P1 C11 113.03(19) . . ?
Ru P1 C17 117.63(19) . . ?
Ru P1 C23 111.15(18) . . ?
C11 P1 C17 102.3(3) . . ?
C11 P1 C23 104.2(2) . . ?
C17 P1 C23 107.4(2) . . ?
Ru P2 C32 124.26(19) . . ?
Ru P2 C35 107.5(2) . . ?
Ru P2 C41 116.16(19) . . ?
C32 P2 C35 103.1(3) . . ?
C32 P2 C41 101.5(3) . . ?
C35 P2 C41 101.5(3) . . ?
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 134.7(4) . . ?
Ru C2 C3 70.8(3) . . ?
Ru C2 C7 70.6(3) . . ?
C1 C2 C3 119.6(6) . . ?
C1 C2 C7 122.0(6) . . ?
C3 C2 C7 118.2(6) . . ?
Ru C3 C2 73.2(3) . . ?
Ru C3 H3 127.9 . . ?
Ru C3 C4 70.6(4) . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.2(6) . . ?
H3 C3 C4 120.4 . . ?
Ru C4 C3 73.0(3) . . ?
Ru C4 H4 125.2 . . ?
Ru C4 C5 74.9(4) . . ?
C3 C4 H4 118.6 . . ?
C3 C4 C5 122.8(6) . . ?
H4 C4 C5 118.6 . . ?
Ru C5 C4 69.1(3) . . ?
Ru C5 C6 70.0(3) . . ?
Ru C5 C8 134.4(4) . . ?
C4 C5 C6 116.1(6) . . ?
C4 C5 C8 126.7(6) . . ?
C6 C5 C8 117.1(6) . . ?
Ru C6 C5 74.6(4) . . ?
Ru C6 H6 126.5 . . ?
Ru C6 C7 72.2(3) . . ?
C5 C6 H6 118.7 . . ?
C5 C6 C7 122.6(6) . . ?
H6 C6 C7 118.7 . . ?
Ru C7 C2 73.9(3) . . ?
Ru C7 C6 71.9(3) . . ?
Ru C7 H7 126.8 . . ?
C2 C7 C6 121.1(6) . . ?
C2 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C5 C8 H8 108.7 . . ?
C5 C8 C9 110.8(7) . . ?
C5 C8 C10 108.2(7) . . ?
H8 C8 C9 108.7 . . ?
H8 C8 C10 108.7 . . ?
C9 C8 C10 111.6(7) . . ?
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 . . ?
P1 C11 C12 121.9(5) . . ?
P1 C11 C16 119.6(5) . . ?
C12 C11 C16 118.4(6) . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.8(6) . . ?
H12 C12 C13 119.6 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.4(7) . . ?
H13 C13 C14 119.8 . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.2(6) . . ?
H14 C14 C15 119.9 . . ?
C14 C15 H15 120.4 . . ?
C14 C15 C16 119.1(6) . . ?
H15 C15 C16 120.4 . . ?
C11 C16 C15 121.0(6) . . ?
C11 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
P1 C17 C18 120.0(4) . . ?
P1 C17 C22 120.8(4) . . ?
C18 C17 C22 119.0(5) . . ?
C17 C18 H18 119.4 . . ?
C17 C18 C19 121.1(6) . . ?
H18 C18 C19 119.4 . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(6) . . ?
H19 C19 C20 119.9 . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 119.8(6) . . ?
H20 C20 C21 120.1 . . ?
C20 C21 H21 119.7 . . ?
C20 C21 C22 120.5(6) . . ?
H21 C21 C22 119.7 . . ?
C17 C22 C21 119.4(6) . . ?
C17 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
P1 C23 C24 118.0(4) . . ?
P1 C23 C26 120.3(4) . . ?
C24 C23 C26 121.6(5) . . ?
C23 C24 H24A 109.3 . . ?
C23 C24 H24B 109.3 . . ?
C23 C24 C25 111.6(5) . . ?
H24A C24 H24B 108.0 . . ?
H24A C24 C25 109.3 . . ?
H24B C24 C25 109.3 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 C27 123.4(5) . . ?
C23 C26 C31 126.5(5) . . ?
C27 C26 C31 110.0(5) . . ?
C26 C27 H27A 108.9 . . ?
C26 C27 H27B 108.9 . . ?
C26 C27 C28 113.3(5) . . ?
H27A C27 H27B 107.7 . . ?
H27A C27 C28 108.9 . . ?
H27B C27 C28 108.9 . . ?
C27 C28 H28A 109.6 . . ?
C27 C28 H28B 109.6 . . ?
C27 C28 C29 110.4(6) . . ?
H28A C28 H28B 108.1 . . ?
H28A C28 C29 109.6 . . ?
H28B C28 C29 109.6 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 C30 110.6(6) . . ?
H29A C29 H29B 108.1 . . ?
H29A C29 C30 109.5 . . ?
H29B C29 C30 109.5 . . ?
C29 C30 H30A 109.2 . . ?
C29 C30 H30B 109.2 . . ?
C29 C30 C31 112.2(5) . . ?
H30A C30 H30B 107.9 . . ?
H30A C30 C31 109.2 . . ?
H30B C30 C31 109.2 . . ?
C26 C31 C30 109.6(5) . . ?
C26 C31 C32 128.0(5) . . ?
C30 C31 C32 121.9(5) . . ?
P2 C32 C31 121.1(4) . . ?
P2 C32 C33 118.3(4) . . ?
C31 C32 C33 119.9(5) . . ?
C32 C33 H33A 108.3 . . ?
C32 C33 H33B 108.3 . . ?
C32 C33 C34 116.0(5) . . ?
H33A C33 H33B 107.4 . . ?
H33A C33 C34 108.3 . . ?
H33B C33 C34 108.3 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
P2 C35 C36 121.6(4) . . ?
P2 C35 C40 119.4(4) . . ?
C36 C35 C40 118.9(5) . . ?
C35 C36 H36 120.2 . . ?
C35 C36 C37 119.7(6) . . ?
H36 C36 C37 120.2 . . ?
C36 C37 H37 119.8 . . ?
C36 C37 C38 120.5(6) . . ?
H37 C37 C38 119.8 . . ?
C37 C38 H38 120.1 . . ?
C37 C38 C39 119.8(6) . . ?
H38 C38 C39 120.1 . . ?
C38 C39 H39 120.5 . . ?
C38 C39 C40 119.1(6) . . ?
H39 C39 C40 120.5 . . ?
C35 C40 C39 122.0(6) . . ?
C35 C40 H40 119.0 . . ?
C39 C40 H40 119.0 . . ?
P2 C41 C42 122.1(5) . . ?
P2 C41 C46 118.3(4) . . ?
C42 C41 C46 119.2(5) . . ?
C41 C42 H42 119.9 . . ?
C41 C42 C43 120.2(6) . . ?
H42 C42 C43 119.9 . . ?
C42 C43 H43 119.7 . . ?
C42 C43 C44 120.7(6) . . ?
H43 C43 C44 119.7 . . ?
C43 C44 H44 120.3 . . ?
C43 C44 C45 119.5(6) . . ?
H44 C44 C45 120.3 . . ?
C44 C45 H45 119.9 . . ?
C44 C45 C46 120.1(6) . . ?
H45 C45 C46 119.9 . . ?
C41 C46 C45 120.3(6) . . ?
C41 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
F1 Sb1 F1A 22.0(11) . . ?
F1 Sb1 F2 87.3(10) . . ?
F1 Sb1 F2A 72.0(14) . . ?
F1 Sb1 F3 168.6(14) . . ?
F1 Sb1 F3A 169.8(8) . . ?
F1 Sb1 F4 95.9(14) . . ?
F1 Sb1 F4A 99.5(8) . . ?
F1 Sb1 F5 88.9(7) . . ?
F1 Sb1 F6 92.3(7) . . ?
F1A Sb1 F2 106.8(12) . . ?
F1A Sb1 F2A 92.8(15) . . ?
F1A Sb1 F3 169.2(15) . . ?
F1A Sb1 F3A 168.2(11) . . ?
F1A Sb1 F4 75.5(15) . . ?
F1A Sb1 F4A 79.7(11) . . ?
F1A Sb1 F5 97.6(11) . . ?
F1A Sb1 F6 84.0(11) . . ?
F2 Sb1 F2A 17.0(15) . . ?
F2 Sb1 F3 81.9(14) . . ?
F2 Sb1 F3A 83.4(8) . . ?
F2 Sb1 F4 173.4(12) . . ?
F2 Sb1 F4A 173.1(8) . . ?
F2 Sb1 F5 93.7(7) . . ?
F2 Sb1 F6 85.4(7) . . ?
F2A Sb1 F3 96.7(18) . . ?
F2A Sb1 F3A 98.2(14) . . ?
F2A Sb1 F4 167.9(18) . . ?
F2A Sb1 F4A 169.5(14) . . ?
F2A Sb1 F5 86.0(8) . . ?
F2A Sb1 F6 93.4(8) . . ?
F3 Sb1 F3A 1.6(15) . . ?
F3 Sb1 F4 95.2(18) . . ?
F3 Sb1 F4A 91.4(13) . . ?
F3 Sb1 F5 88.0(10) . . ?
F3 Sb1 F6 90.6(10) . . ?
F3A Sb1 F4 93.7(13) . . ?
F3A Sb1 F4A 89.9(5) . . ?
F3A Sb1 F5 87.4(6) . . ?
F3A Sb1 F6 91.2(6) . . ?
F4 Sb1 F4A 5.7(14) . . ?
F4 Sb1 F5 92.2(10) . . ?
F4 Sb1 F6 88.7(10) . . ?
F4A Sb1 F5 87.7(7) . . ?
F4A Sb1 F6 93.1(7) . . ?
F5 Sb1 F6 178.4(3) . . ?
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 2.3450(15) . ?
Ru P2 2.4081(16) . ?
Ru Cl1 2.4114(13) . ?
Ru C2 2.331(6) . ?
Ru C3 2.300(6) . ?
Ru C4 2.268(6) . ?
Ru C5 2.343(6) . ?
Ru C6 2.284(6) . ?
Ru C7 2.288(6) . ?
P1 C11 1.839(6) . ?
P1 C17 1.842(5) . ?
P1 C23 1.846(5) . ?
P2 C32 1.866(6) . ?
P2 C35 1.853(6) . ?
P2 C41 1.845(6) . ?
C1 H1A 0.980 . ?
C1 H1B 0.980 . ?
C1 H1C 0.980 . ?
C1 C2 1.517(9) . ?
C2 C3 1.434(9) . ?
C2 C7 1.411(9) . ?
C3 H3 0.950 . ?
C3 C4 1.427(10) . ?
C4 H4 0.950 . ?
C4 C5 1.425(10) . ?
C5 C6 1.407(9) . ?
C5 C8 1.560(10) . ?
C6 H6 0.950 . ?
C6 C7 1.412(9) . ?
C7 H7 0.950 . ?
C8 H8 1.000 . ?
C8 C9 1.509(11) . ?
C8 C10 1.528(11) . ?
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 1.396(9) . ?
C11 C16 1.404(8) . ?
C12 H12 0.950 . ?
C12 C13 1.388(9) . ?
C13 H13 0.950 . ?
C13 C14 1.377(10) . ?
C14 H14 0.950 . ?
C14 C15 1.405(10) . ?
C15 H15 0.950 . ?
C15 C16 1.395(9) . ?
C16 H16 0.950 . ?
C17 C18 1.382(8) . ?
C17 C22 1.412(8) . ?
C18 H18 0.950 . ?
C18 C19 1.390(8) . ?
C19 H19 0.950 . ?
C19 C20 1.378(10) . ?
C20 H20 0.950 . ?
C20 C21 1.392(10) . ?
C21 H21 0.950 . ?
C21 C22 1.398(9) . ?
C22 H22 0.950 . ?
C23 C24 1.520(7) . ?
C23 C26 1.342(8) . ?
C24 H24A 0.990 . ?
C24 H24B 0.990 . ?
C24 C25 1.528(9) . ?
C25 H25A 0.980 . ?
C25 H25B 0.980 . ?
C25 H25C 0.980 . ?
C26 C27 1.534(8) . ?
C26 C31 1.509(8) . ?
C27 H27A 0.990 . ?
C27 H27B 0.990 . ?
C27 C28 1.535(9) . ?
C28 H28A 0.990 . ?
C28 H28B 0.990 . ?
C28 C29 1.529(11) . ?
C29 H29A 0.990 . ?
C29 H29B 0.990 . ?
C29 C30 1.530(10) . ?
C30 H30A 0.990 . ?
C30 H30B 0.990 . ?
C30 C31 1.541(8) . ?
C31 C32 1.337(8) . ?
C32 C33 1.526(8) . ?
C33 H33A 0.990 . ?
C33 H33B 0.990 . ?
C33 C34 1.523(9) . ?
C34 H34A 0.980 . ?
C34 H34B 0.980 . ?
C34 H34C 0.980 . ?
C35 C36 1.385(8) . ?
C35 C40 1.397(8) . ?
C36 H36 0.950 . ?
C36 C37 1.405(9) . ?
C37 H37 0.950 . ?
C37 C38 1.399(10) . ?
C38 H38 0.950 . ?
C38 C39 1.385(10) . ?
C39 H39 0.950 . ?
C39 C40 1.386(9) . ?
C40 H40 0.950 . ?
C41 C42 1.397(8) . ?
C41 C46 1.393(8) . ?
C42 H42 0.950 . ?
C42 C43 1.390(9) . ?
C43 H43 0.950 . ?
C43 C44 1.384(9) . ?
C44 H44 0.950 . ?
C44 C45 1.394(9) . ?
C45 H45 0.950 . ?
C45 C46 1.397(9) . ?
C46 H46 0.950 . ?
Sb1 F1 1.828(18) . ?
Sb1 F1A 1.93(3) . ?
Sb1 F2 1.857(12) . ?
Sb1 F2A 1.85(2) . ?
Sb1 F3 1.76(2) . ?
Sb1 F3A 1.922(16) . ?
Sb1 F4 1.73(2) . ?
Sb1 F4A 1.909(17) . ?
Sb1 F5 1.876(5) . ?
Sb1 F6 1.867(5) . ?
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
P2 Ru P1 C11 -176.0(2) . . . . ?
P2 Ru P1 C17 65.1(2) . . . . ?
P2 Ru P1 C23 -59.25(19) . . . . ?
Cl1 Ru P1 C11 -85.4(2) . . . . ?
Cl1 Ru P1 C17 155.7(2) . . . . ?
Cl1 Ru P1 C23 31.30(19) . . . . ?
C2 Ru P1 C11 48.3(3) . . . . ?
C2 Ru P1 C17 -70.6(3) . . . . ?
C2 Ru P1 C23 165.0(2) . . . . ?
C3 Ru P1 C11 13.1(3) . . . . ?
C3 Ru P1 C17 -105.9(3) . . . . ?
C3 Ru P1 C23 129.8(2) . . . . ?
C4 Ru P1 C11 -9.6(3) . . . . ?
C4 Ru P1 C17 -128.6(3) . . . . ?
C4 Ru P1 C23 107.1(3) . . . . ?
C5 Ru P1 C11 13.1(8) . . . . ?
C5 Ru P1 C17 -105.8(7) . . . . ?
C5 Ru P1 C23 129.9(7) . . . . ?
C6 Ru P1 C11 95.2(4) . . . . ?
C6 Ru P1 C17 -23.8(4) . . . . ?
C6 Ru P1 C23 -148.1(4) . . . . ?
C7 Ru P1 C11 79.8(3) . . . . ?
C7 Ru P1 C17 -39.1(3) . . . . ?
C7 Ru P1 C23 -163.5(2) . . . . ?
P1 Ru P2 C32 -12.6(2) . . . . ?
P1 Ru P2 C35 -132.7(2) . . . . ?
P1 Ru P2 C41 114.5(2) . . . . ?
Cl1 Ru P2 C32 -97.7(2) . . . . ?
Cl1 Ru P2 C35 142.2(2) . . . . ?
Cl1 Ru P2 C41 29.4(2) . . . . ?
C2 Ru P2 C32 78.4(3) . . . . ?
C2 Ru P2 C35 -41.7(3) . . . . ?
C2 Ru P2 C41 -154.5(3) . . . . ?
C3 Ru P2 C32 122.4(8) . . . . ?
C3 Ru P2 C35 2.3(8) . . . . ?
C3 Ru P2 C41 -110.5(8) . . . . ?
C4 Ru P2 C32 -177.2(3) . . . . ?
C4 Ru P2 C35 62.6(3) . . . . ?
C4 Ru P2 C41 -50.1(3) . . . . ?
C5 Ru P2 C32 165.3(3) . . . . ?
C5 Ru P2 C35 45.2(3) . . . . ?
C5 Ru P2 C41 -67.6(3) . . . . ?
C6 Ru P2 C32 132.3(3) . . . . ?
C6 Ru P2 C35 12.2(3) . . . . ?
C6 Ru P2 C41 -100.6(3) . . . . ?
C7 Ru P2 C32 98.2(3) . . . . ?
C7 Ru P2 C35 -21.9(3) . . . . ?
C7 Ru P2 C41 -134.7(3) . . . . ?
P1 Ru C2 C1 6.8(6) . . . . ?
P1 Ru C2 C3 -106.2(4) . . . . ?
P1 Ru C2 C7 123.0(3) . . . . ?
P2 Ru C2 C1 -81.8(7) . . . . ?
P2 Ru C2 C3 165.2(3) . . . . ?
P2 Ru C2 C7 34.4(4) . . . . ?
Cl1 Ru C2 C1 92.7(6) . . . . ?
Cl1 Ru C2 C3 -20.3(5) . . . . ?
Cl1 Ru C2 C7 -151.1(3) . . . . ?
C3 Ru C2 C1 113.0(8) . . . . ?
C3 Ru C2 C7 -130.8(5) . . . . ?
C4 Ru C2 C1 143.0(7) . . . . ?
C4 Ru C2 C3 30.0(4) . . . . ?
C4 Ru C2 C7 -100.8(4) . . . . ?
C5 Ru C2 C1 179.1(7) . . . . ?
C5 Ru C2 C3 66.1(4) . . . . ?
C5 Ru C2 C7 -64.6(4) . . . . ?
C6 Ru C2 C1 -145.5(7) . . . . ?
C6 Ru C2 C3 101.5(4) . . . . ?
C6 Ru C2 C7 -29.3(4) . . . . ?
C7 Ru C2 C1 -116.2(8) . . . . ?
C7 Ru C2 C3 130.8(5) . . . . ?
Ru C2 C3 C4 -55.5(5) . . . . ?
C1 C2 C3 Ru -131.2(5) . . . . ?
C1 C2 C3 C4 173.3(5) . . . . ?
C7 C2 C3 Ru 54.1(5) . . . . ?
C7 C2 C3 C4 -1.4(8) . . . . ?
P1 Ru C3 C2 78.4(4) . . . . ?
P1 Ru C3 C4 -151.3(4) . . . . ?
P2 Ru C3 C2 -55.4(10) . . . . ?
P2 Ru C3 C4 74.8(9) . . . . ?
Cl1 Ru C3 C2 165.3(3) . . . . ?
Cl1 Ru C3 C4 -64.4(4) . . . . ?
C2 Ru C3 C4 130.3(6) . . . . ?
C4 Ru C3 C2 -130.3(6) . . . . ?
C5 Ru C3 C2 -101.5(4) . . . . ?
C5 Ru C3 C4 28.7(4) . . . . ?
C6 Ru C3 C2 -65.6(4) . . . . ?
C6 Ru C3 C4 64.6(4) . . . . ?
C7 Ru C3 C2 -29.3(4) . . . . ?
C7 Ru C3 C4 101.0(4) . . . . ?
Ru C3 C4 C5 -58.6(5) . . . . ?
C2 C3 C4 Ru 56.7(5) . . . . ?
C2 C3 C4 C5 -1.9(9) . . . . ?
P1 Ru C4 C3 39.5(5) . . . . ?
P1 Ru C4 C5 171.5(3) . . . . ?
P2 Ru C4 C3 -161.5(3) . . . . ?
P2 Ru C4 C5 -29.5(5) . . . . ?
Cl1 Ru C4 C3 116.2(4) . . . . ?
Cl1 Ru C4 C5 -111.8(4) . . . . ?
C2 Ru C4 C3 -29.8(4) . . . . ?
C2 Ru C4 C5 102.2(4) . . . . ?
C3 Ru C4 C5 132.0(6) . . . . ?
C5 Ru C4 C3 -132.0(6) . . . . ?
C6 Ru C4 C3 -102.2(4) . . . . ?
C6 Ru C4 C5 29.8(4) . . . . ?
C7 Ru C4 C3 -65.9(4) . . . . ?
C7 Ru C4 C5 66.1(4) . . . . ?
Ru C4 C5 C6 -53.6(5) . . . . ?
Ru C4 C5 C8 130.6(6) . . . . ?
C3 C4 C5 Ru 57.7(5) . . . . ?
C3 C4 C5 C6 4.1(9) . . . . ?
C3 C4 C5 C8 -171.7(6) . . . . ?
P1 Ru C5 C4 -29.2(9) . . . . ?
P1 Ru C5 C6 100.6(8) . . . . ?
P1 Ru C5 C8 -150.7(6) . . . . ?
P2 Ru C5 C4 160.3(3) . . . . ?
P2 Ru C5 C6 -70.0(4) . . . . ?
P2 Ru C5 C8 38.8(7) . . . . ?
Cl1 Ru C5 C4 68.1(4) . . . . ?
Cl1 Ru C5 C6 -162.2(4) . . . . ?
Cl1 Ru C5 C8 -53.4(7) . . . . ?
C2 Ru C5 C4 -65.4(4) . . . . ?
C2 Ru C5 C6 64.3(4) . . . . ?
C2 Ru C5 C8 173.1(8) . . . . ?
C3 Ru C5 C4 -29.1(4) . . . . ?
C3 Ru C5 C6 100.7(4) . . . . ?
C3 Ru C5 C8 -150.6(8) . . . . ?
C4 Ru C5 C6 129.7(6) . . . . ?
C4 Ru C5 C8 -121.5(9) . . . . ?
C6 Ru C5 C4 -129.7(6) . . . . ?
C6 Ru C5 C8 108.8(9) . . . . ?
C7 Ru C5 C4 -101.0(4) . . . . ?
C7 Ru C5 C6 28.7(4) . . . . ?
C7 Ru C5 C8 137.5(8) . . . . ?
Ru C5 C6 C7 -56.5(5) . . . . ?
C4 C5 C6 Ru 53.2(5) . . . . ?
C4 C5 C6 C7 -3.3(8) . . . . ?
C8 C5 C6 Ru -130.6(5) . . . . ?
C8 C5 C6 C7 173.0(6) . . . . ?
P1 Ru C6 C5 -157.4(3) . . . . ?
P1 Ru C6 C7 -25.0(6) . . . . ?
P2 Ru C6 C5 115.2(4) . . . . ?
P2 Ru C6 C7 -112.3(4) . . . . ?
Cl1 Ru C6 C5 23.3(5) . . . . ?
Cl1 Ru C6 C7 155.8(3) . . . . ?
C2 Ru C6 C5 -103.5(4) . . . . ?
C2 Ru C6 C7 29.0(4) . . . . ?
C3 Ru C6 C5 -67.0(4) . . . . ?
C3 Ru C6 C7 65.5(4) . . . . ?
C4 Ru C6 C5 -30.2(4) . . . . ?
C4 Ru C6 C7 102.2(4) . . . . ?
C5 Ru C6 C7 132.5(6) . . . . ?
C7 Ru C6 C5 -132.5(6) . . . . ?
Ru C2 C7 C6 56.4(5) . . . . ?
C1 C2 C7 Ru 131.2(5) . . . . ?
C1 C2 C7 C6 -172.3(6) . . . . ?
C3 C2 C7 Ru -54.2(5) . . . . ?
C3 C2 C7 C6 2.3(8) . . . . ?
Ru C6 C7 C2 -57.4(5) . . . . ?
C5 C6 C7 Ru 57.6(5) . . . . ?
C5 C6 C7 C2 0.2(9) . . . . ?
P1 Ru C7 C2 -63.7(4) . . . . ?
P1 Ru C7 C6 165.0(3) . . . . ?
P2 Ru C7 C2 -156.0(3) . . . . ?
P2 Ru C7 C6 72.7(4) . . . . ?
Cl1 Ru C7 C2 72.3(6) . . . . ?
Cl1 Ru C7 C6 -59.0(6) . . . . ?
C2 Ru C7 C6 -131.3(6) . . . . ?
C3 Ru C7 C2 29.7(4) . . . . ?
C3 Ru C7 C6 -101.7(4) . . . . ?
C4 Ru C7 C2 66.6(4) . . . . ?
C4 Ru C7 C6 -64.7(4) . . . . ?
C5 Ru C7 C2 103.1(4) . . . . ?
C5 Ru C7 C6 -28.2(4) . . . . ?
C6 Ru C7 C2 131.3(6) . . . . ?
Ru C5 C8 C9 74.4(9) . . . . ?
Ru C5 C8 C10 -162.9(7) . . . . ?
C4 C5 C8 C9 -21.8(10) . . . . ?
C4 C5 C8 C10 100.9(9) . . . . ?
C6 C5 C8 C9 162.4(6) . . . . ?
C6 C5 C8 C10 -74.9(9) . . . . ?
Ru P1 C11 C12 -136.4(4) . . . . ?
Ru P1 C11 C16 43.8(5) . . . . ?
C17 P1 C11 C12 -8.9(5) . . . . ?
C17 P1 C11 C16 171.2(4) . . . . ?
C23 P1 C11 C12 102.9(5) . . . . ?
C23 P1 C11 C16 -77.0(5) . . . . ?
P1 C11 C12 C13 -176.6(5) . . . . ?
C16 C11 C12 C13 3.2(9) . . . . ?
C11 C12 C13 C14 -1.4(10) . . . . ?
C12 C13 C14 C15 -1.0(11) . . . . ?
C13 C14 C15 C16 1.5(10) . . . . ?
C14 C15 C16 C11 0.4(9) . . . . ?
P1 C11 C16 C15 177.1(5) . . . . ?
C12 C11 C16 C15 -2.7(8) . . . . ?
Ru P1 C17 C18 22.9(5) . . . . ?
Ru P1 C17 C22 -161.8(4) . . . . ?
C11 P1 C17 C18 -101.5(5) . . . . ?
C11 P1 C17 C22 73.7(5) . . . . ?
C23 P1 C17 C18 149.1(5) . . . . ?
C23 P1 C17 C22 -35.6(5) . . . . ?
P1 C17 C18 C19 175.1(5) . . . . ?
C22 C17 C18 C19 -0.3(9) . . . . ?
C17 C18 C19 C20 0.5(10) . . . . ?
C18 C19 C20 C21 0.2(11) . . . . ?
C19 C20 C21 C22 -1.1(11) . . . . ?
C20 C21 C22 C17 1.3(10) . . . . ?
P1 C17 C22 C21 -176.0(5) . . . . ?
C18 C17 C22 C21 -0.7(9) . . . . ?
Ru P1 C23 C24 -99.3(4) . . . . ?
Ru P1 C23 C26 75.9(5) . . . . ?
C11 P1 C23 C24 22.7(5) . . . . ?
C11 P1 C23 C26 -162.1(5) . . . . ?
C17 P1 C23 C24 130.7(4) . . . . ?
C17 P1 C23 C26 -54.1(5) . . . . ?
P1 C23 C24 C25 -98.2(5) . . . . ?
C26 C23 C24 C25 86.6(7) . . . . ?
P1 C23 C26 C27 -168.6(4) . . . . ?
P1 C23 C26 C31 16.6(8) . . . . ?
C24 C23 C26 C27 6.5(8) . . . . ?
C24 C23 C26 C31 -168.4(5) . . . . ?
C23 C26 C27 C28 -119.0(6) . . . . ?
C31 C26 C27 C28 56.6(7) . . . . ?
C26 C27 C28 C29 -54.2(8) . . . . ?
C27 C28 C29 C30 53.0(8) . . . . ?
C28 C29 C30 C31 -56.7(8) . . . . ?
C23 C26 C31 C30 118.4(6) . . . . ?
C23 C26 C31 C32 -69.9(9) . . . . ?
C27 C26 C31 C30 -57.0(6) . . . . ?
C27 C26 C31 C32 114.7(7) . . . . ?
C29 C30 C31 C26 58.8(7) . . . . ?
C29 C30 C31 C32 -113.5(7) . . . . ?
C26 C31 C32 P2 2.7(9) . . . . ?
C26 C31 C32 C33 -167.5(6) . . . . ?
C30 C31 C32 P2 173.5(5) . . . . ?
C30 C31 C32 C33 3.2(9) . . . . ?
Ru P2 C32 C31 55.0(6) . . . . ?
Ru P2 C32 C33 -134.6(4) . . . . ?
C35 P2 C32 C31 177.1(5) . . . . ?
C35 P2 C32 C33 -12.5(5) . . . . ?
C41 P2 C32 C31 -78.0(5) . . . . ?
C41 P2 C32 C33 92.4(5) . . . . ?
P2 C32 C33 C34 109.4(6) . . . . ?
C31 C32 C33 C34 -80.0(8) . . . . ?
Ru P2 C35 C36 -107.3(5) . . . . ?
Ru P2 C35 C40 68.1(5) . . . . ?
C32 P2 C35 C36 119.9(5) . . . . ?
C32 P2 C35 C40 -64.7(6) . . . . ?
C41 P2 C35 C36 15.1(6) . . . . ?
C41 P2 C35 C40 -169.5(5) . . . . ?
P2 C35 C36 C37 173.7(5) . . . . ?
C40 C35 C36 C37 -1.8(9) . . . . ?
C35 C36 C37 C38 1.5(10) . . . . ?
C36 C37 C38 C39 0.0(11) . . . . ?
C37 C38 C39 C40 -1.1(11) . . . . ?
C38 C39 C40 C35 0.8(11) . . . . ?
P2 C35 C40 C39 -174.9(5) . . . . ?
C36 C35 C40 C39 0.7(10) . . . . ?
Ru P2 C41 C42 -154.2(4) . . . . ?
Ru P2 C41 C46 33.5(5) . . . . ?
C32 P2 C41 C42 -16.5(5) . . . . ?
C32 P2 C41 C46 171.2(5) . . . . ?
C35 P2 C41 C42 89.6(5) . . . . ?
C35 P2 C41 C46 -82.7(5) . . . . ?
P2 C41 C42 C43 -172.9(4) . . . . ?
C46 C41 C42 C43 -0.7(8) . . . . ?
C41 C42 C43 C44 1.4(9) . . . . ?
C42 C43 C44 C45 0.1(9) . . . . ?
C43 C44 C45 C46 -2.2(9) . . . . ?
P2 C41 C46 C45 171.1(5) . . . . ?
C42 C41 C46 C45 -1.4(9) . . . . ?
C44 C45 C46 C41 2.9(9) . . . . ?
