#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:09:53 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178494 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/05/4060501.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_4060501
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 H47 O P2 Ru +, Sb F6 -, C H2 Cl2'
_chemical_formula_sum            'C43 H49 Cl2 F6 O P2 Ru Sb'
_chemical_formula_weight         1051.48
_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                 96.170(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2957(15)
_cell_length_b                   13.4324(11)
_cell_length_c                   31.891(3)
_cell_measurement_reflns_used    241
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.75
_cell_volume                     4810.8(9)
_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 0.995
_diffrn_measured_fraction_theta_max 0.989
_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  0.0630
_diffrn_reflns_av_sigmaI/netI    0.0530
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            57077
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.92
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.106
_exptl_absorpt_correction_T_max  0.9468
_exptl_absorpt_correction_T_min  0.6660
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.929
_refine_diff_density_min         -1.025
_refine_diff_density_rms         0.137
_refine_ls_extinction_coef       0.0034(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     486
_refine_ls_number_reflns         10946
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0832P)²+0.2391P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1300
_refine_ls_wR_factor_ref         0.1390
_reflns_number_gt                8141
_reflns_number_total             10946
_reflns_threshold_expression     I>2σ(I)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060501
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
Ru1 Ru 0.23095(2) 0.72132(2) 0.163547(8) 0.02453(10) Uani 1 1 d . . .
P1 P 0.10390(8) 0.65026(7) 0.11159(3) 0.0267(2) Uani 1 1 d . . .
P2 P 0.11509(8) 0.92759(7) 0.17066(3) 0.0250(2) Uani 1 1 d . . .
O1 O 0.1749(2) 0.86607(17) 0.13917(7) 0.0274(5) Uani 1 1 d . . .
C1 C 0.2810(4) 0.5051(3) 0.21929(16) 0.0525(12) Uani 1 1 d . . .
H1A H 0.2206 0.4754 0.1987 0.079 Uiso 1 1 calc R . .
H1B H 0.2459 0.5188 0.2455 0.079 Uiso 1 1 calc R . .
H1C H 0.3478 0.4588 0.2250 0.079 Uiso 1 1 calc R . .
C2 C 0.3248(3) 0.6008(3) 0.20190(13) 0.0393(10) Uani 1 1 d . . .
C3 C 0.3394(3) 0.6922(3) 0.22543(12) 0.0388(10) Uani 1 1 d . . .
H3 H 0.3180 0.6939 0.2534 0.047 Uiso 1 1 calc R . .
C4 C 0.3837(3) 0.7774(3) 0.20858(13) 0.0383(9) Uani 1 1 d . . .
H4 H 0.3885 0.8369 0.2248 0.046 Uiso 1 1 calc R . .
C5 C 0.4228(3) 0.7781(3) 0.16686(13) 0.0356(9) Uani 1 1 d . . .
C6 C 0.4163(3) 0.6890(3) 0.14425(13) 0.0379(9) Uani 1 1 d . . .
H6 H 0.4469 0.6851 0.1177 0.045 Uiso 1 1 calc R . .
C7 C 0.3636(3) 0.6042(3) 0.16116(13) 0.0370(9) Uani 1 1 d . . .
H7 H 0.3537 0.5461 0.1441 0.044 Uiso 1 1 calc R . .
C8 C 0.4643(4) 0.8758(3) 0.14860(16) 0.0487(11) Uani 1 1 d . . .
H8 H 0.3922 0.9190 0.1432 0.058 Uiso 1 1 calc R . .
C9 C 0.5516(4) 0.9313(4) 0.18060(19) 0.0671(15) Uani 1 1 d . . .
H9A H 0.5142 0.9427 0.2065 0.101 Uiso 1 1 calc R . .
H9B H 0.5726 0.9953 0.1687 0.101 Uiso 1 1 calc R . .
H9C H 0.6237 0.8912 0.1870 0.101 Uiso 1 1 calc R . .
C10 C 0.5147(4) 0.8628(4) 0.10603(17) 0.0652(15) Uani 1 1 d . . .
H10A H 0.5839 0.8185 0.1096 0.098 Uiso 1 1 calc R . .
H10B H 0.5388 0.9278 0.0959 0.098 Uiso 1 1 calc R . .
H10C H 0.4535 0.8339 0.0855 0.098 Uiso 1 1 calc R . .
C11 C 0.1259(3) 0.6799(3) 0.05705(11) 0.0326(8) Uani 1 1 d . . .
C12 C 0.0815(5) 0.6199(3) 0.02280(14) 0.0493(11) Uani 1 1 d . . .
H12 H 0.0378 0.5615 0.0278 0.059 Uiso 1 1 calc R . .
C13 C 0.1000(5) 0.6442(4) -0.01783(14) 0.0609(14) Uani 1 1 d . . .
H13 H 0.0701 0.6022 -0.0405 0.073 Uiso 1 1 calc R . .
C14 C 0.1610(6) 0.7282(4) -0.02568(15) 0.0713(17) Uani 1 1 d . . .
H14 H 0.1740 0.7447 -0.0538 0.086 Uiso 1 1 calc R . .
C15 C 0.2046(6) 0.7901(4) 0.00742(15) 0.0737(18) Uani 1 1 d . . .
H15 H 0.2460 0.8493 0.0016 0.088 Uiso 1 1 calc R . .
C16 C 0.1882(4) 0.7666(3) 0.04874(14) 0.0489(11) Uani 1 1 d . . .
H16 H 0.2191 0.8088 0.0712 0.059 Uiso 1 1 calc R . .
C17 C 0.0920(3) 0.5149(3) 0.11185(11) 0.0311(8) Uani 1 1 d . . .
C18 C 0.0037(3) 0.4667(3) 0.13193(12) 0.0343(8) Uani 1 1 d . . .
H18 H -0.0543 0.5050 0.1442 0.041 Uiso 1 1 calc R . .
C19 C 0.0001(4) 0.3633(3) 0.13414(14) 0.0453(11) Uani 1 1 d . . .
H19 H -0.0600 0.3315 0.1480 0.054 Uiso 1 1 calc R . .
C20 C 0.0838(4) 0.3064(3) 0.11620(17) 0.0566(13) Uani 1 1 d . . .
H20 H 0.0802 0.2358 0.1174 0.068 Uiso 1 1 calc R . .
C21 C 0.1724(4) 0.3524(4) 0.09663(19) 0.0611(14) Uani 1 1 d . . .
H21 H 0.2305 0.3133 0.0848 0.073 Uiso 1 1 calc R . .
C22 C 0.1772(4) 0.4557(3) 0.09418(14) 0.0435(10) Uani 1 1 d . . .
H22 H 0.2383 0.4867 0.0805 0.052 Uiso 1 1 calc R . .
C23 C -0.0438(3) 0.6917(3) 0.12033(11) 0.0296(8) Uani 1 1 d . . .
C24 C -0.0496(3) 0.7305(3) 0.15852(12) 0.0289(8) Uani 1 1 d . . .
C25 C 0.0595(3) 0.7386(3) 0.19110(11) 0.0267(7) Uani 1 1 d . . .
C26 C 0.0768(3) 0.8434(3) 0.21195(11) 0.0270(7) Uani 1 1 d . . .
H26 H 0.1520 0.8373 0.2314 0.032 Uiso 1 1 calc R . .
C27 C -0.1493(4) 0.6756(4) 0.08689(14) 0.0467(11) Uani 1 1 d . . .
H27A H -0.1889 0.6128 0.0924 0.070 Uiso 1 1 calc R . .
H27B H -0.1210 0.6731 0.0589 0.070 Uiso 1 1 calc R . .
H27C H -0.2059 0.7307 0.0879 0.070 Uiso 1 1 calc R . .
C28 C -0.1711(3) 0.7600(3) 0.17147(13) 0.0399(9) Uani 1 1 d . . .
H28A H -0.1910 0.8275 0.1615 0.060 Uiso 1 1 calc R . .
H28B H -0.1685 0.7580 0.2023 0.060 Uiso 1 1 calc R . .
H28C H -0.2317 0.7134 0.1590 0.060 Uiso 1 1 calc R . .
C29 C 0.0453(3) 0.6612(3) 0.22561(12) 0.0332(8) Uani 1 1 d . . .
H29A H -0.0343 0.6670 0.2349 0.050 Uiso 1 1 calc R . .
H29B H 0.1055 0.6729 0.2496 0.050 Uiso 1 1 calc R . .
H29C H 0.0556 0.5942 0.2143 0.050 Uiso 1 1 calc R . .
C30 C -0.0141(4) 0.8866(3) 0.23975(13) 0.0437(10) Uani 1 1 d . . .
H30A H -0.0842 0.9104 0.2218 0.066 Uiso 1 1 calc R . .
H30B H 0.0222 0.9422 0.2564 0.066 Uiso 1 1 calc R . .
H30C H -0.0380 0.8348 0.2587 0.066 Uiso 1 1 calc R . .
C31 C 0.2097(3) 1.0254(3) 0.19263(12) 0.0318(8) Uani 1 1 d . . .
C32 C 0.2436(4) 1.0986(4) 0.16527(14) 0.0508(12) Uani 1 1 d . . .
H32 H 0.2156 1.0946 0.1361 0.061 Uiso 1 1 calc R . .
C33 C 0.3171(4) 1.1770(4) 0.17942(17) 0.0649(15) Uani 1 1 d . . .
H33 H 0.3375 1.2269 0.1603 0.078 Uiso 1 1 calc R . .
C34 C 0.3606(4) 1.1819(4) 0.22170(17) 0.0551(13) Uani 1 1 d . . .
H34 H 0.4117 1.2351 0.2315 0.066 Uiso 1 1 calc R . .
C35 C 0.3304(4) 1.1104(3) 0.24948(15) 0.0450(10) Uani 1 1 d . . .
H35 H 0.3614 1.1135 0.2783 0.054 Uiso 1 1 calc R . .
C36 C 0.2537(3) 1.0331(3) 0.23495(12) 0.0374(9) Uani 1 1 d . . .
H36 H 0.2312 0.9849 0.2544 0.045 Uiso 1 1 calc R . .
C37 C -0.0141(3) 0.9882(3) 0.14422(11) 0.0267(7) Uani 1 1 d . . .
C38 C -0.0618(4) 0.9557(3) 0.10433(13) 0.0418(10) Uani 1 1 d . . .
H38 H -0.0243 0.9037 0.0905 0.050 Uiso 1 1 calc R . .
C39 C -0.1655(4) 1.0007(4) 0.08497(16) 0.0574(13) Uani 1 1 d . . .
H39 H -0.1983 0.9794 0.0578 0.069 Uiso 1 1 calc R . .
C40 C -0.2205(4) 1.0759(3) 0.10537(17) 0.0528(12) Uani 1 1 d . . .
H40 H -0.2914 1.1054 0.0922 0.063 Uiso 1 1 calc R . .
C41 C -0.1734(4) 1.1084(3) 0.14442(15) 0.0456(11) Uani 1 1 d . . .
H41 H -0.2112 1.1605 0.1581 0.055 Uiso 1 1 calc R . .
C42 C -0.0710(3) 1.0653(3) 0.16361(13) 0.0386(9) Uani 1 1 d . . .
H42 H -0.0384 1.0885 0.1906 0.046 Uiso 1 1 calc R . .
Sb1 Sb 0.61749(3) 0.37630(2) 0.152020(10) 0.04657(12) Uani 1 1 d . . .
F1 F 0.6598(3) 0.5104(2) 0.15195(12) 0.0891(10) Uani 1 1 d . . .
F2 F 0.5800(3) 0.2409(3) 0.15492(14) 0.0958(12) Uani 1 1 d . . .
F3 F 0.4774(3) 0.3993(3) 0.11710(12) 0.0971(13) Uani 1 1 d . . .
F4 F 0.7014(3) 0.3498(3) 0.10606(9) 0.0882(11) Uani 1 1 d . . .
F5 F 0.7550(2) 0.3486(2) 0.18922(9) 0.0672(8) Uani 1 1 d . . .
F6 F 0.5354(3) 0.4000(2) 0.19917(10) 0.0720(9) 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'
Sb Sb -0.5866 1.5461 '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'
O O 0.0106 0.0060 '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 Ru1 O1 88.74(7) . . ?
P1 Ru1 C2 108.66(12) . . ?
P1 Ru1 C3 143.86(12) . . ?
P1 Ru1 C4 169.08(11) . . ?
P1 Ru1 C5 133.74(11) . . ?
P1 Ru1 C6 104.34(11) . . ?
P1 Ru1 C7 93.07(12) . . ?
P1 Ru1 C25 79.87(9) . . ?
O1 Ru1 C2 162.59(14) . . ?
O1 Ru1 C3 125.76(13) . . ?
O1 Ru1 C4 95.92(13) . . ?
O1 Ru1 C5 87.50(11) . . ?
O1 Ru1 C6 108.38(12) . . ?
O1 Ru1 C7 144.31(12) . . ?
O1 Ru1 C25 79.29(11) . . ?
C2 Ru1 C3 37.55(16) . . ?
C2 Ru1 C4 66.81(16) . . ?
C2 Ru1 C5 79.88(14) . . ?
C2 Ru1 C6 67.29(15) . . ?
C2 Ru1 C7 37.44(15) . . ?
C2 Ru1 C25 104.04(14) . . ?
C3 Ru1 C4 35.78(15) . . ?
C3 Ru1 C5 65.95(15) . . ?
C3 Ru1 C6 76.95(14) . . ?
C3 Ru1 C7 65.93(15) . . ?
C3 Ru1 C25 95.01(13) . . ?
C4 Ru1 C5 37.13(14) . . ?
C4 Ru1 C6 64.83(15) . . ?
C4 Ru1 C7 77.39(15) . . ?
C4 Ru1 C25 110.67(14) . . ?
C5 Ru1 C6 35.52(14) . . ?
C5 Ru1 C7 65.89(15) . . ?
C5 Ru1 C25 143.85(14) . . ?
C6 Ru1 C7 36.94(15) . . ?
C6 Ru1 C25 171.12(13) . . ?
C7 Ru1 C25 136.09(14) . . ?
Ru1 P1 C11 117.45(13) . . ?
Ru1 P1 C17 117.06(12) . . ?
Ru1 P1 C23 106.14(12) . . ?
C11 P1 C17 103.84(17) . . ?
C11 P1 C23 107.56(17) . . ?
C17 P1 C23 103.66(17) . . ?
O1 P2 C26 107.35(15) . . ?
O1 P2 C31 111.75(16) . . ?
O1 P2 C37 109.46(15) . . ?
C26 P2 C31 110.53(17) . . ?
C26 P2 C37 112.06(16) . . ?
C31 P2 C37 105.75(17) . . ?
Ru1 O1 P2 112.72(13) . . ?
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 . . ?
Ru1 C2 C1 131.8(3) . . ?
Ru1 C2 C3 71.8(2) . . ?
Ru1 C2 C7 69.4(2) . . ?
C1 C2 C3 124.1(4) . . ?
C1 C2 C7 120.8(4) . . ?
C3 C2 C7 115.0(4) . . ?
Ru1 C3 C2 70.7(2) . . ?
Ru1 C3 H3 130.7 . . ?
Ru1 C3 C4 72.5(2) . . ?
C2 C3 H3 119.0 . . ?
C2 C3 C4 122.0(4) . . ?
H3 C3 C4 119.0 . . ?
Ru1 C4 C3 71.7(2) . . ?
Ru1 C4 H4 128.5 . . ?
Ru1 C4 C5 72.8(2) . . ?
C3 C4 H4 119.3 . . ?
C3 C4 C5 121.5(4) . . ?
H4 C4 C5 119.3 . . ?
Ru1 C5 C4 70.0(2) . . ?
Ru1 C5 C6 72.1(2) . . ?
Ru1 C5 C8 126.5(2) . . ?
C4 C5 C6 117.7(4) . . ?
C4 C5 C8 119.5(4) . . ?
C6 C5 C8 122.7(4) . . ?
Ru1 C6 C5 72.4(2) . . ?
Ru1 C6 H6 133.0 . . ?
Ru1 C6 C7 67.5(2) . . ?
C5 C6 H6 120.2 . . ?
C5 C6 C7 119.6(4) . . ?
H6 C6 C7 120.2 . . ?
Ru1 C7 C2 73.1(2) . . ?
Ru1 C7 C6 75.6(2) . . ?
Ru1 C7 H7 125.0 . . ?
C2 C7 C6 123.9(4) . . ?
C2 C7 H7 118.0 . . ?
C6 C7 H7 118.0 . . ?
C5 C8 H8 106.6 . . ?
C5 C8 C9 111.4(4) . . ?
C5 C8 C10 113.4(4) . . ?
H8 C8 C9 106.6 . . ?
H8 C8 C10 106.6 . . ?
C9 C8 C10 111.7(4) . . ?
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 122.8(3) . . ?
P1 C11 C16 118.9(3) . . ?
C12 C11 C16 118.3(4) . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.3(4) . . ?
H12 C12 C13 119.4 . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.1(4) . . ?
H13 C13 C14 119.9 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.1(4) . . ?
H14 C14 C15 120.0 . . ?
C14 C15 H15 119.6 . . ?
C14 C15 C16 120.8(5) . . ?
H15 C15 C16 119.6 . . ?
C11 C16 C15 119.4(4) . . ?
C11 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
P1 C17 C18 121.3(3) . . ?
P1 C17 C22 120.4(3) . . ?
C18 C17 C22 118.2(4) . . ?
C17 C18 H18 119.6 . . ?
C17 C18 C19 120.7(4) . . ?
H18 C18 C19 119.6 . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(4) . . ?
H19 C19 C20 119.9 . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.0(4) . . ?
H20 C20 C21 120.0 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.4(4) . . ?
H21 C21 C22 119.8 . . ?
C17 C22 C21 120.4(4) . . ?
C17 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
P1 C23 C24 113.4(3) . . ?
P1 C23 C27 120.8(3) . . ?
C24 C23 C27 125.6(3) . . ?
C23 C24 C25 122.3(3) . . ?
C23 C24 C28 118.8(3) . . ?
C25 C24 C28 118.7(3) . . ?
Ru1 C25 C24 113.4(2) . . ?
Ru1 C25 C26 100.9(2) . . ?
Ru1 C25 C29 112.0(2) . . ?
C24 C25 C26 114.2(3) . . ?
C24 C25 C29 107.4(3) . . ?
C26 C25 C29 108.9(3) . . ?
P2 C26 C25 106.3(2) . . ?
P2 C26 H26 104.4 . . ?
P2 C26 C30 114.0(3) . . ?
C25 C26 H26 104.4 . . ?
C25 C26 C30 121.7(3) . . ?
H26 C26 C30 104.4 . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C28 H28A 109.5 . . ?
C24 C28 H28B 109.5 . . ?
C24 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C29 H29A 109.5 . . ?
C25 C29 H29B 109.5 . . ?
C25 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C30 H30A 109.5 . . ?
C26 C30 H30B 109.5 . . ?
C26 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
P2 C31 C32 117.7(3) . . ?
P2 C31 C36 124.8(3) . . ?
C32 C31 C36 117.4(4) . . ?
C31 C32 H32 119.1 . . ?
C31 C32 C33 121.8(4) . . ?
H32 C32 C33 119.1 . . ?
C32 C33 H33 120.3 . . ?
C32 C33 C34 119.4(4) . . ?
H33 C33 C34 120.3 . . ?
C33 C34 H34 119.8 . . ?
C33 C34 C35 120.5(4) . . ?
H34 C34 C35 119.8 . . ?
C34 C35 H35 120.2 . . ?
C34 C35 C36 119.6(4) . . ?
H35 C35 C36 120.2 . . ?
C31 C36 C35 121.4(4) . . ?
C31 C36 H36 119.3 . . ?
C35 C36 H36 119.3 . . ?
P2 C37 C38 119.9(3) . . ?
P2 C37 C42 121.1(3) . . ?
C38 C37 C42 118.9(3) . . ?
C37 C38 H38 120.4 . . ?
C37 C38 C39 119.3(4) . . ?
H38 C38 C39 120.4 . . ?
C38 C39 H39 119.9 . . ?
C38 C39 C40 120.2(4) . . ?
H39 C39 C40 119.9 . . ?
C39 C40 H40 119.7 . . ?
C39 C40 C41 120.6(4) . . ?
H40 C40 C41 119.7 . . ?
C40 C41 H41 120.2 . . ?
C40 C41 C42 119.7(4) . . ?
H41 C41 C42 120.2 . . ?
C37 C42 C41 121.3(4) . . ?
C37 C42 H42 119.4 . . ?
C41 C42 H42 119.4 . . ?
F1 Sb1 F2 176.88(17) . . ?
F1 Sb1 F3 92.34(18) . . ?
F1 Sb1 F4 91.78(17) . . ?
F1 Sb1 F5 89.84(16) . . ?
F1 Sb1 F6 89.21(15) . . ?
F2 Sb1 F3 90.49(18) . . ?
F2 Sb1 F4 89.44(18) . . ?
F2 Sb1 F5 87.29(16) . . ?
F2 Sb1 F6 89.50(16) . . ?
F3 Sb1 F4 91.85(15) . . ?
F3 Sb1 F5 176.98(17) . . ?
F3 Sb1 F6 89.44(15) . . ?
F4 Sb1 F5 90.18(13) . . ?
F4 Sb1 F6 178.34(14) . . ?
F5 Sb1 F6 88.50(13) . . ?
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
Ru1 P1 2.2814(10) . ?
Ru1 O1 2.163(2) . ?
Ru1 C2 2.228(4) . ?
Ru1 C3 2.243(4) . ?
Ru1 C4 2.252(4) . ?
Ru1 C5 2.289(4) . ?
Ru1 C6 2.286(4) . ?
Ru1 C7 2.180(4) . ?
Ru1 C25 2.223(3) . ?
P1 C11 1.827(4) . ?
P1 C17 1.824(4) . ?
P1 C23 1.809(4) . ?
P2 O1 1.514(2) . ?
P2 C26 1.822(4) . ?
P2 C31 1.788(4) . ?
P2 C37 1.800(3) . ?
C1 H1A 0.980 . ?
C1 H1B 0.980 . ?
C1 H1C 0.980 . ?
C1 C2 1.505(6) . ?
C2 C3 1.439(6) . ?
C2 C7 1.415(6) . ?
C3 H3 0.950 . ?
C3 C4 1.381(6) . ?
C4 H4 0.950 . ?
C4 C5 1.447(6) . ?
C5 C6 1.396(6) . ?
C5 C8 1.530(6) . ?
C6 H6 0.950 . ?
C6 C7 1.418(6) . ?
C7 H7 0.950 . ?
C8 H8 1.000 . ?
C8 C9 1.534(7) . ?
C8 C10 1.537(7) . ?
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 1.406(6) . ?
C11 C16 1.401(6) . ?
C12 H12 0.950 . ?
C12 C13 1.374(6) . ?
C13 H13 0.950 . ?
C13 C14 1.360(7) . ?
C14 H14 0.950 . ?
C14 C15 1.391(7) . ?
C15 H15 0.950 . ?
C15 C16 1.387(6) . ?
C16 H16 0.950 . ?
C17 C18 1.400(5) . ?
C17 C22 1.412(5) . ?
C18 H18 0.950 . ?
C18 C19 1.392(6) . ?
C19 H19 0.950 . ?
C19 C20 1.386(7) . ?
C20 H20 0.950 . ?
C20 C21 1.382(7) . ?
C21 H21 0.950 . ?
C21 C22 1.391(6) . ?
C22 H22 0.950 . ?
C23 C24 1.333(5) . ?
C23 C27 1.527(5) . ?
C24 C25 1.528(5) . ?
C24 C28 1.528(5) . ?
C25 C26 1.560(5) . ?
C25 C29 1.536(5) . ?
C26 H26 1.000 . ?
C26 C30 1.540(5) . ?
C27 H27A 0.980 . ?
C27 H27B 0.980 . ?
C27 H27C 0.980 . ?
C28 H28A 0.980 . ?
C28 H28B 0.980 . ?
C28 H28C 0.980 . ?
C29 H29A 0.980 . ?
C29 H29B 0.980 . ?
C29 H29C 0.980 . ?
C30 H30A 0.980 . ?
C30 H30B 0.980 . ?
C30 H30C 0.980 . ?
C31 C32 1.396(6) . ?
C31 C36 1.391(5) . ?
C32 H32 0.950 . ?
C32 C33 1.386(6) . ?
C33 H33 0.950 . ?
C33 C34 1.386(7) . ?
C34 H34 0.950 . ?
C34 C35 1.374(7) . ?
C35 H35 0.950 . ?
C35 C36 1.399(6) . ?
C36 H36 0.950 . ?
C37 C38 1.397(5) . ?
C37 C42 1.398(5) . ?
C38 H38 0.950 . ?
C38 C39 1.401(6) . ?
C39 H39 0.950 . ?
C39 C40 1.385(7) . ?
C40 H40 0.950 . ?
C40 C41 1.372(7) . ?
C41 H41 0.950 . ?
C41 C42 1.376(5) . ?
C42 H42 0.950 . ?
Sb1 F1 1.864(3) . ?
Sb1 F2 1.872(4) . ?
Sb1 F3 1.860(3) . ?
Sb1 F4 1.863(3) . ?
Sb1 F5 1.887(3) . ?
Sb1 F6 1.876(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
O1 Ru1 P1 C11 58.52(15) . . . . ?
O1 Ru1 P1 C17 -176.85(15) . . . . ?
O1 Ru1 P1 C23 -61.77(14) . . . . ?
C2 Ru1 P1 C11 -120.61(18) . . . . ?
C2 Ru1 P1 C17 4.02(18) . . . . ?
C2 Ru1 P1 C23 119.11(17) . . . . ?
C3 Ru1 P1 C11 -137.5(2) . . . . ?
C3 Ru1 P1 C17 -12.9(2) . . . . ?
C3 Ru1 P1 C23 102.2(2) . . . . ?
C4 Ru1 P1 C11 -56.9(6) . . . . ?
C4 Ru1 P1 C17 67.7(6) . . . . ?
C4 Ru1 P1 C23 -177.2(6) . . . . ?
C5 Ru1 P1 C11 -26.8(2) . . . . ?
C5 Ru1 P1 C17 97.83(19) . . . . ?
C5 Ru1 P1 C23 -147.09(18) . . . . ?
C6 Ru1 P1 C11 -50.14(18) . . . . ?
C6 Ru1 P1 C17 74.49(17) . . . . ?
C6 Ru1 P1 C23 -170.42(16) . . . . ?
C7 Ru1 P1 C11 -85.80(18) . . . . ?
C7 Ru1 P1 C17 38.82(17) . . . . ?
C7 Ru1 P1 C23 153.91(17) . . . . ?
C25 Ru1 P1 C11 137.87(17) . . . . ?
C25 Ru1 P1 C17 -97.51(16) . . . . ?
C25 Ru1 P1 C23 17.58(16) . . . . ?
C26 P2 O1 Ru1 -15.31(18) . . . . ?
C31 P2 O1 Ru1 106.04(17) . . . . ?
C37 P2 O1 Ru1 -137.16(15) . . . . ?
P1 Ru1 O1 P2 117.66(13) . . . . ?
C2 Ru1 O1 P2 -65.1(4) . . . . ?
C3 Ru1 O1 P2 -50.7(2) . . . . ?
C4 Ru1 O1 P2 -72.24(17) . . . . ?
C5 Ru1 O1 P2 -108.46(17) . . . . ?
C6 Ru1 O1 P2 -137.65(16) . . . . ?
C7 Ru1 O1 P2 -148.8(2) . . . . ?
C25 Ru1 O1 P2 37.72(15) . . . . ?
P1 Ru1 C2 C1 -43.8(4) . . . . ?
P1 Ru1 C2 C3 -163.6(2) . . . . ?
P1 Ru1 C2 C7 69.6(2) . . . . ?
O1 Ru1 C2 C1 139.1(4) . . . . ?
O1 Ru1 C2 C3 19.3(5) . . . . ?
O1 Ru1 C2 C7 -107.5(4) . . . . ?
C3 Ru1 C2 C1 119.8(5) . . . . ?
C3 Ru1 C2 C7 -126.7(4) . . . . ?
C4 Ru1 C2 C1 146.8(5) . . . . ?
C4 Ru1 C2 C3 27.0(2) . . . . ?
C4 Ru1 C2 C7 -99.7(3) . . . . ?
C5 Ru1 C2 C1 -176.8(4) . . . . ?
C5 Ru1 C2 C3 63.4(2) . . . . ?
C5 Ru1 C2 C7 -63.3(3) . . . . ?
C6 Ru1 C2 C1 -142.0(5) . . . . ?
C6 Ru1 C2 C3 98.2(3) . . . . ?
C6 Ru1 C2 C7 -28.5(2) . . . . ?
C7 Ru1 C2 C1 -113.5(5) . . . . ?
C7 Ru1 C2 C3 126.7(4) . . . . ?
C25 Ru1 C2 C1 40.0(4) . . . . ?
C25 Ru1 C2 C3 -79.8(2) . . . . ?
C25 Ru1 C2 C7 153.5(2) . . . . ?
Ru1 C2 C3 C4 -53.4(3) . . . . ?
C1 C2 C3 Ru1 -128.7(4) . . . . ?
C1 C2 C3 C4 177.9(3) . . . . ?
C7 C2 C3 Ru1 55.9(3) . . . . ?
C7 C2 C3 C4 2.4(5) . . . . ?
P1 Ru1 C3 C2 26.9(3) . . . . ?
P1 Ru1 C3 C4 161.36(19) . . . . ?
O1 Ru1 C3 C2 -173.0(2) . . . . ?
O1 Ru1 C3 C4 -38.6(3) . . . . ?
C2 Ru1 C3 C4 134.4(3) . . . . ?
C4 Ru1 C3 C2 -134.4(3) . . . . ?
C5 Ru1 C3 C2 -105.4(3) . . . . ?
C5 Ru1 C3 C4 29.1(2) . . . . ?
C6 Ru1 C3 C2 -69.6(2) . . . . ?
C6 Ru1 C3 C4 64.8(2) . . . . ?
C7 Ru1 C3 C2 -32.3(2) . . . . ?
C7 Ru1 C3 C4 102.2(3) . . . . ?
C25 Ru1 C3 C2 106.6(2) . . . . ?
C25 Ru1 C3 C4 -119.0(2) . . . . ?
Ru1 C3 C4 C5 -55.5(3) . . . . ?
C2 C3 C4 Ru1 52.6(3) . . . . ?
C2 C3 C4 C5 -2.8(5) . . . . ?
P1 Ru1 C4 C3 -95.7(6) . . . . ?
P1 Ru1 C4 C5 36.9(7) . . . . ?
O1 Ru1 C4 C3 149.4(2) . . . . ?
O1 Ru1 C4 C5 -77.9(2) . . . . ?
C2 Ru1 C4 C3 -28.3(2) . . . . ?
C2 Ru1 C4 C5 104.4(3) . . . . ?
C3 Ru1 C4 C5 132.7(3) . . . . ?
C5 Ru1 C4 C3 -132.7(3) . . . . ?
C6 Ru1 C4 C3 -103.0(3) . . . . ?
C6 Ru1 C4 C5 29.7(2) . . . . ?
C7 Ru1 C4 C3 -66.1(2) . . . . ?
C7 Ru1 C4 C5 66.5(2) . . . . ?
C25 Ru1 C4 C3 68.7(3) . . . . ?
C25 Ru1 C4 C5 -158.7(2) . . . . ?
Ru1 C4 C5 C6 -55.9(3) . . . . ?
Ru1 C4 C5 C8 121.5(3) . . . . ?
C3 C4 C5 Ru1 55.0(3) . . . . ?
C3 C4 C5 C6 -1.0(5) . . . . ?
C3 C4 C5 C8 176.4(3) . . . . ?
P1 Ru1 C5 C4 -170.93(18) . . . . ?
P1 Ru1 C5 C6 -41.3(3) . . . . ?
P1 Ru1 C5 C8 76.6(4) . . . . ?
O1 Ru1 C5 C4 103.2(2) . . . . ?
O1 Ru1 C5 C6 -127.2(2) . . . . ?
O1 Ru1 C5 C8 -9.3(4) . . . . ?
C2 Ru1 C5 C4 -64.7(2) . . . . ?
C2 Ru1 C5 C6 64.9(2) . . . . ?
C2 Ru1 C5 C8 -177.2(4) . . . . ?
C3 Ru1 C5 C4 -28.1(2) . . . . ?
C3 Ru1 C5 C6 101.5(3) . . . . ?
C3 Ru1 C5 C8 -140.6(4) . . . . ?
C4 Ru1 C5 C6 129.6(3) . . . . ?
C4 Ru1 C5 C8 -112.5(5) . . . . ?
C6 Ru1 C5 C4 -129.6(3) . . . . ?
C6 Ru1 C5 C8 117.9(5) . . . . ?
C7 Ru1 C5 C4 -101.2(3) . . . . ?
C7 Ru1 C5 C6 28.3(2) . . . . ?
C7 Ru1 C5 C8 146.3(4) . . . . ?
C25 Ru1 C5 C4 35.3(3) . . . . ?
C25 Ru1 C5 C6 164.8(2) . . . . ?
C25 Ru1 C5 C8 -77.2(4) . . . . ?
Ru1 C5 C6 C7 -50.0(3) . . . . ?
C4 C5 C6 Ru1 54.9(3) . . . . ?
C4 C5 C6 C7 4.9(5) . . . . ?
C8 C5 C6 Ru1 -122.4(3) . . . . ?
C8 C5 C6 C7 -172.4(3) . . . . ?
P1 Ru1 C6 C5 150.5(2) . . . . ?
P1 Ru1 C6 C7 -75.6(2) . . . . ?
O1 Ru1 C6 C5 57.0(2) . . . . ?
O1 Ru1 C6 C7 -169.1(2) . . . . ?
C2 Ru1 C6 C5 -105.0(3) . . . . ?
C2 Ru1 C6 C7 28.9(2) . . . . ?
C3 Ru1 C6 C5 -66.7(2) . . . . ?
C3 Ru1 C6 C7 67.1(3) . . . . ?
C4 Ru1 C6 C5 -30.9(2) . . . . ?
C4 Ru1 C6 C7 102.9(3) . . . . ?
C5 Ru1 C6 C7 133.9(4) . . . . ?
C7 Ru1 C6 C5 -133.9(4) . . . . ?
C25 Ru1 C6 C5 -92.1(9) . . . . ?
C25 Ru1 C6 C7 41.8(10) . . . . ?
Ru1 C2 C7 C6 58.9(3) . . . . ?
C1 C2 C7 Ru1 127.3(3) . . . . ?
C1 C2 C7 C6 -173.9(3) . . . . ?
C3 C2 C7 Ru1 -57.1(3) . . . . ?
C3 C2 C7 C6 1.7(5) . . . . ?
Ru1 C6 C7 C2 -57.7(3) . . . . ?
C5 C6 C7 Ru1 52.2(3) . . . . ?
C5 C6 C7 C2 -5.5(5) . . . . ?
P1 Ru1 C7 C2 -117.2(2) . . . . ?
P1 Ru1 C7 C6 110.0(2) . . . . ?
O1 Ru1 C7 C2 150.7(2) . . . . ?
O1 Ru1 C7 C6 17.9(4) . . . . ?
C2 Ru1 C7 C6 -132.9(4) . . . . ?
C3 Ru1 C7 C2 32.3(2) . . . . ?
C3 Ru1 C7 C6 -100.5(3) . . . . ?
C4 Ru1 C7 C2 68.2(3) . . . . ?
C4 Ru1 C7 C6 -64.7(2) . . . . ?
C5 Ru1 C7 C2 105.5(3) . . . . ?
C5 Ru1 C7 C6 -27.3(2) . . . . ?
C6 Ru1 C7 C2 132.9(4) . . . . ?
C25 Ru1 C7 C2 -38.6(3) . . . . ?
C25 Ru1 C7 C6 -171.5(2) . . . . ?
Ru1 C5 C8 C9 133.3(3) . . . . ?
Ru1 C5 C8 C10 -99.7(4) . . . . ?
C4 C5 C8 C9 47.3(5) . . . . ?
C4 C5 C8 C10 174.3(3) . . . . ?
C6 C5 C8 C9 -135.4(4) . . . . ?
C6 C5 C8 C10 -8.4(5) . . . . ?
Ru1 P1 C11 C12 159.4(3) . . . . ?
Ru1 P1 C11 C16 -21.4(4) . . . . ?
C17 P1 C11 C12 28.4(4) . . . . ?
C17 P1 C11 C16 -152.4(3) . . . . ?
C23 P1 C11 C12 -81.0(4) . . . . ?
C23 P1 C11 C16 98.2(4) . . . . ?
P1 C11 C12 C13 -179.8(4) . . . . ?
C16 C11 C12 C13 1.0(7) . . . . ?
C11 C12 C13 C14 -0.8(9) . . . . ?
C12 C13 C14 C15 -0.3(10) . . . . ?
C13 C14 C15 C16 1.1(10) . . . . ?
C14 C15 C16 C11 -0.8(9) . . . . ?
P1 C11 C16 C15 -179.5(4) . . . . ?
C12 C11 C16 C15 -0.3(7) . . . . ?
Ru1 P1 C17 C18 93.6(3) . . . . ?
Ru1 P1 C17 C22 -82.0(3) . . . . ?
C11 P1 C17 C18 -135.2(3) . . . . ?
C11 P1 C17 C22 49.3(4) . . . . ?
C23 P1 C17 C18 -22.8(3) . . . . ?
C23 P1 C17 C22 161.6(3) . . . . ?
P1 C17 C18 C19 -176.0(3) . . . . ?
C22 C17 C18 C19 -0.4(6) . . . . ?
C17 C18 C19 C20 -0.4(6) . . . . ?
C18 C19 C20 C21 1.1(7) . . . . ?
C19 C20 C21 C22 -1.0(8) . . . . ?
C20 C21 C22 C17 0.3(8) . . . . ?
P1 C17 C22 C21 176.1(4) . . . . ?
C18 C17 C22 C21 0.4(6) . . . . ?
Ru1 P1 C23 C24 -15.5(3) . . . . ?
Ru1 P1 C23 C27 168.0(3) . . . . ?
C11 P1 C23 C24 -142.0(3) . . . . ?
C11 P1 C23 C27 41.5(4) . . . . ?
C17 P1 C23 C24 108.4(3) . . . . ?
C17 P1 C23 C27 -68.1(4) . . . . ?
P1 C23 C24 C25 0.2(5) . . . . ?
P1 C23 C24 C28 -174.7(3) . . . . ?
C27 C23 C24 C25 176.5(4) . . . . ?
C27 C23 C24 C28 1.6(6) . . . . ?
C23 C24 C25 Ru1 16.4(4) . . . . ?
C23 C24 C25 C26 131.2(4) . . . . ?
C23 C24 C25 C29 -108.0(4) . . . . ?
C28 C24 C25 Ru1 -168.7(3) . . . . ?
C28 C24 C25 C26 -54.0(4) . . . . ?
C28 C24 C25 C29 66.9(4) . . . . ?
P1 Ru1 C25 C24 -19.4(2) . . . . ?
P1 Ru1 C25 C26 -141.9(2) . . . . ?
P1 Ru1 C25 C29 102.5(3) . . . . ?
O1 Ru1 C25 C24 71.3(2) . . . . ?
O1 Ru1 C25 C26 -51.2(2) . . . . ?
O1 Ru1 C25 C29 -166.9(3) . . . . ?
C2 Ru1 C25 C24 -126.2(3) . . . . ?
C2 Ru1 C25 C26 111.3(2) . . . . ?
C2 Ru1 C25 C29 -4.4(3) . . . . ?
C3 Ru1 C25 C24 -163.3(3) . . . . ?
C3 Ru1 C25 C26 74.3(2) . . . . ?
C3 Ru1 C25 C29 -41.4(3) . . . . ?
C4 Ru1 C25 C24 163.6(2) . . . . ?
C4 Ru1 C25 C26 41.1(2) . . . . ?
C4 Ru1 C25 C29 -74.6(3) . . . . ?
C5 Ru1 C25 C24 141.7(2) . . . . ?
C5 Ru1 C25 C26 19.3(3) . . . . ?
C5 Ru1 C25 C29 -96.4(3) . . . . ?
C6 Ru1 C25 C24 -138.5(9) . . . . ?
C6 Ru1 C25 C26 99.0(9) . . . . ?
C6 Ru1 C25 C29 -16.6(11) . . . . ?
C7 Ru1 C25 C24 -103.2(3) . . . . ?
C7 Ru1 C25 C26 134.3(2) . . . . ?
C7 Ru1 C25 C29 18.6(4) . . . . ?
Ru1 C25 C26 P2 53.7(2) . . . . ?
Ru1 C25 C26 C30 -173.6(3) . . . . ?
C24 C25 C26 P2 -68.2(3) . . . . ?
C24 C25 C26 C30 64.4(4) . . . . ?
C29 C25 C26 P2 171.7(2) . . . . ?
C29 C25 C26 C30 -55.6(4) . . . . ?
O1 P2 C26 C25 -27.3(3) . . . . ?
O1 P2 C26 C30 -164.0(3) . . . . ?
C31 P2 C26 C25 -149.4(2) . . . . ?
C31 P2 C26 C30 73.8(3) . . . . ?
C37 P2 C26 C25 92.9(2) . . . . ?
C37 P2 C26 C30 -43.8(3) . . . . ?
O1 P2 C31 C32 62.9(4) . . . . ?
O1 P2 C31 C36 -116.0(3) . . . . ?
C26 P2 C31 C32 -177.6(3) . . . . ?
C26 P2 C31 C36 3.5(4) . . . . ?
C37 P2 C31 C32 -56.1(4) . . . . ?
C37 P2 C31 C36 125.0(3) . . . . ?
P2 C31 C32 C33 -179.7(4) . . . . ?
C36 C31 C32 C33 -0.8(7) . . . . ?
C31 C32 C33 C34 1.5(8) . . . . ?
C32 C33 C34 C35 -0.6(8) . . . . ?
C33 C34 C35 C36 -1.0(7) . . . . ?
P2 C31 C36 C35 178.0(3) . . . . ?
C32 C31 C36 C35 -0.9(6) . . . . ?
C34 C35 C36 C31 1.7(6) . . . . ?
O1 P2 C37 C38 16.1(4) . . . . ?
O1 P2 C37 C42 -166.4(3) . . . . ?
C26 P2 C37 C38 -102.9(3) . . . . ?
C26 P2 C37 C42 74.7(3) . . . . ?
C31 P2 C37 C38 136.7(3) . . . . ?
C31 P2 C37 C42 -45.8(3) . . . . ?
P2 C37 C38 C39 177.1(3) . . . . ?
C42 C37 C38 C39 -0.4(6) . . . . ?
C37 C38 C39 C40 -0.5(7) . . . . ?
C38 C39 C40 C41 0.9(7) . . . . ?
C39 C40 C41 C42 -0.5(7) . . . . ?
C40 C41 C42 C37 -0.5(6) . . . . ?
P2 C37 C42 C41 -176.6(3) . . . . ?
C38 C37 C42 C41 0.9(6) . . . . ?
