#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:04:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179466 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/63/4336350.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_4336350
loop_
_publ_author_name
'Brandon R. Groves'
'D. Ian Arbuckle'
'Ernest Essoun'
'Travis L. Lundrigan'
'Ruiyao Wang'
'Manuel A.S. Aquino'
_publ_contact_author_email       maquino@stfx.ca
_publ_contact_author_fax         902-867-2414
_publ_contact_author_name        'Manuel A.S. Aquino'
_publ_contact_author_phone       902-867-5336
_publ_section_title
;
 Chiral Induction at Octahedral Ru(II) via the Disassembly of
 Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral
 Diphosphine Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11563
_journal_page_last               11572
_journal_paper_doi               10.1021/ic401908t
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C63 H61 F6 O2 P5 Ru'
_chemical_formula_weight         1220.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.3933(3)
_cell_length_b                   20.0890(4)
_cell_length_c                   19.2867(4)
_cell_measurement_reflns_used    8142
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      27.21
_cell_measurement_theta_min      2.29
_cell_volume                     5576.7(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15465
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.490
_exptl_absorpt_correction_T_max  0.9619
_exptl_absorpt_correction_T_min  0.9084
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_description       block
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.701
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.07(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         5484
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0287
_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)+(0.0355P)²+1.0850P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0669
_refine_ls_wR_factor_ref         0.0681
_reflns_number_gt                5171
_reflns_number_total             5484
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401908t_si_006.cif
_cod_data_source_block           ma43
_cod_database_code               4336350
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, -z'
'-x, y, -z+1/2'
'-x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'
'-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
Ru1 Ru 0.5000 0.293623(13) 0.7500 0.02297(7) Uani 1 2 d S
P1 P 0.44556(4) 0.29673(4) 0.63079(3) 0.02565(14) Uani 1 1 d .
P2 P 0.60307(4) 0.21590(3) 0.70274(3) 0.02358(14) Uani 1 1 d .
P3 P 0.46447(9) 0.0000 0.5000 0.0471(3) Uani 1 2 d S
O1 O 0.42857(12) 0.38771(9) 0.76895(9) 0.0295(4) Uani 1 1 d .
C1 C 0.32433(18) 0.31273(13) 0.60387(13) 0.0292(6) Uani 1 1 d .
C2 C 0.2707(2) 0.25829(15) 0.58137(14) 0.0335(6) Uani 1 1 d .
H2A H 0.2986 0.2155 0.5782 0.040 Uiso 1 1 calc R
C3 C 0.1773(2) 0.26608(16) 0.56371(15) 0.0405(7) Uani 1 1 d .
H3A H 0.1414 0.2288 0.5496 0.049 Uiso 1 1 calc R
C4 C 0.1378(2) 0.32845(17) 0.56689(15) 0.0423(7) Uani 1 1 d .
H4A H 0.0741 0.3340 0.5555 0.051 Uiso 1 1 calc R
C5 C 0.1895(2) 0.38234(16) 0.58631(15) 0.0408(7) Uani 1 1 d .
H5A H 0.1614 0.4251 0.5868 0.049 Uiso 1 1 calc R
C6 C 0.2836(2) 0.37603(15) 0.60566(14) 0.0346(6) Uani 1 1 d .
C7 C 0.3339(2) 0.43825(15) 0.62709(18) 0.0479(8) Uani 1 1 d .
H7A H 0.4011 0.4305 0.6253 0.072 Uiso 1 1 calc R
H7B H 0.3158 0.4503 0.6745 0.072 Uiso 1 1 calc R
H7C H 0.3176 0.4746 0.5955 0.072 Uiso 1 1 calc R
C8 C 0.5129(2) 0.34982(12) 0.57089(13) 0.0305(6) Uani 1 1 d .
C9 C 0.6061(2) 0.36508(14) 0.58374(15) 0.0342(6) Uani 1 1 d .
H9A H 0.6344 0.3512 0.6258 0.041 Uiso 1 1 calc R
C10 C 0.6573(2) 0.40048(15) 0.53522(16) 0.0436(7) Uani 1 1 d .
H10A H 0.7204 0.4112 0.5444 0.052 Uiso 1 1 calc R
C11 C 0.6168(2) 0.42015(16) 0.47359(16) 0.0472(8) Uani 1 1 d .
H11A H 0.6519 0.4447 0.4406 0.057 Uiso 1 1 calc R
C12 C 0.5254(2) 0.40418(17) 0.45997(16) 0.0493(9) Uani 1 1 d .
H12A H 0.4976 0.4175 0.4175 0.059 Uiso 1 1 calc R
C13 C 0.4745(2) 0.36898(15) 0.50780(15) 0.0413(7) Uani 1 1 d .
H13A H 0.4120 0.3575 0.4976 0.050 Uiso 1 1 calc R
C14 C 0.47339(16) 0.21526(13) 0.59348(12) 0.0272(6) Uani 1 1 d .
H14A H 0.4333 0.1804 0.6140 0.033 Uiso 1 1 calc R
H14B H 0.4635 0.2158 0.5427 0.033 Uiso 1 1 calc R
C15 C 0.57472(17) 0.20149(14) 0.61003(12) 0.0279(5) Uani 1 1 d .
H15A H 0.6143 0.2306 0.5810 0.034 Uiso 1 1 calc R
H15B H 0.5892 0.1547 0.5980 0.034 Uiso 1 1 calc R
C16 C 0.72522(17) 0.24419(13) 0.69603(13) 0.0259(5) Uani 1 1 d .
C17 C 0.74898(17) 0.30170(13) 0.73241(12) 0.0281(6) Uani 1 1 d .
H17A H 0.7032 0.3229 0.7602 0.034 Uiso 1 1 calc R
C18 C 0.8373(2) 0.32880(14) 0.72921(14) 0.0368(7) Uani 1 1 d .
H18A H 0.8528 0.3667 0.7563 0.044 Uiso 1 1 calc R
C19 C 0.9027(2) 0.29990(16) 0.68600(16) 0.0426(7) Uani 1 1 d .
H19A H 0.9626 0.3192 0.6812 0.051 Uiso 1 1 calc R
C20 C 0.8800(2) 0.24270(16) 0.64997(16) 0.0411(7) Uani 1 1 d .
H20A H 0.9257 0.2232 0.6208 0.049 Uiso 1 1 calc R
C21 C 0.79282(18) 0.21235(15) 0.65457(13) 0.0317(6) Uani 1 1 d .
C22 C 0.7791(2) 0.14801(15) 0.61577(16) 0.0408(7) Uani 1 1 d .
H22A H 0.8383 0.1241 0.6131 0.061 Uiso 1 1 calc R
H22B H 0.7567 0.1576 0.5688 0.061 Uiso 1 1 calc R
H22C H 0.7333 0.1205 0.6402 0.061 Uiso 1 1 calc R
C23 C 0.62014(17) 0.13164(12) 0.73687(12) 0.0257(6) Uani 1 1 d .
C24 C 0.58668(19) 0.07478(13) 0.70347(14) 0.0315(6) Uani 1 1 d .
H24A H 0.5508 0.0786 0.6623 0.038 Uiso 1 1 calc R
C25 C 0.6066(2) 0.01249(14) 0.73134(14) 0.0378(7) Uani 1 1 d .
H25A H 0.5865 -0.0264 0.7077 0.045 Uiso 1 1 calc R
C26 C 0.6544(2) 0.00633(16) 0.79205(17) 0.0458(8) Uani 1 1 d .
H26A H 0.6657 -0.0366 0.8110 0.055 Uiso 1 1 calc R
C27 C 0.6868(2) 0.06260(16) 0.82617(16) 0.0424(7) Uani 1 1 d .
H27A H 0.7189 0.0588 0.8690 0.051 Uiso 1 1 calc R
C28 C 0.67121(19) 0.12473(14) 0.79643(14) 0.0319(6) Uani 1 1 d .
H28A H 0.6966 0.1632 0.8179 0.038 Uiso 1 1 calc R
C29 C 0.5000 0.42005(16) 0.7500 0.0270(7) Uani 1 2 d S
C30 C 0.5000 0.49388(16) 0.7500 0.0275(7) Uani 1 2 d S
C31 C 0.4223(2) 0.52876(14) 0.77240(14) 0.0366(7) Uani 1 1 d .
H31A H 0.3689 0.5054 0.7880 0.044 Uiso 1 1 calc R
C32 C 0.4228(2) 0.59763(15) 0.77189(17) 0.0473(8) Uani 1 1 d .
H32A H 0.3695 0.6216 0.7868 0.057 Uiso 1 1 calc R
C33 C 0.5000 0.6312(2) 0.7500 0.0491(11) Uani 1 2 d S
H33A H 0.5000 0.672(3) 0.7500 0.067(15) Uiso 1 2 d S
F1 F 0.4663(3) 0.06816(13) 0.53691(15) 0.1406(17) Uani 1 1 d .
F2 F 0.3577(2) 0.0000 0.5000 0.1228(16) Uani 1 2 d S
F3 F 0.46721(19) -0.03759(13) 0.57215(12) 0.0869(8) Uani 1 1 d .
F4 F 0.5729(3) 0.0000 0.5000 0.182(3) Uani 1 2 d S
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'
O O 0.0106 0.0060 '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
O1 Ru1 O1 59.99(9) . 3_656
O1 Ru1 P2 160.44(5) . .
O1 Ru1 P2 102.36(5) 3_656 .
O1 Ru1 P2 102.36(5) . 3_656
O1 Ru1 P2 160.44(5) 3_656 3_656
P2 Ru1 P2 96.23(3) . 3_656
O1 Ru1 P1 89.10(5) . .
O1 Ru1 P1 88.35(5) 3_656 .
P2 Ru1 P1 81.54(2) . .
P2 Ru1 P1 100.45(2) 3_656 .
O1 Ru1 P1 88.35(5) . 3_656
O1 Ru1 P1 89.10(5) 3_656 3_656
P2 Ru1 P1 100.45(2) . 3_656
P2 Ru1 P1 81.54(2) 3_656 3_656
P1 Ru1 P1 177.06(4) . 3_656
O1 Ru1 C29 30.00(5) . .
O1 Ru1 C29 30.00(5) 3_656 .
P2 Ru1 C29 131.883(17) . .
P2 Ru1 C29 131.883(16) 3_656 .
P1 Ru1 C29 88.528(18) . .
P1 Ru1 C29 88.528(18) 3_656 .
C14 P1 C8 98.95(12) . .
C14 P1 C1 104.56(12) . .
C8 P1 C1 102.66(12) . .
C14 P1 Ru1 106.15(8) . .
C8 P1 Ru1 115.95(9) . .
C1 P1 Ru1 125.07(8) . .
C23 P2 C16 100.44(11) . .
C23 P2 C15 103.37(12) . .
C16 P2 C15 100.90(11) . .
C23 P2 Ru1 124.17(8) . .
C16 P2 Ru1 115.12(9) . .
C15 P2 Ru1 109.88(9) . .
F2 P3 F1 90.98(18) . 2_556
F2 P3 F1 90.98(18) . .
F1 P3 F1 178.0(4) 2_556 .
F2 P3 F4 180.000(1) . .
F1 P3 F4 89.02(18) 2_556 .
F1 P3 F4 89.02(18) . .
F2 P3 F3 91.42(11) . 2_556
F1 P3 F3 91.00(15) 2_556 2_556
F1 P3 F3 88.96(15) . 2_556
F4 P3 F3 88.58(11) . 2_556
F2 P3 F3 91.42(11) . .
F1 P3 F3 88.96(15) 2_556 .
F1 P3 F3 90.99(15) . .
F4 P3 F3 88.58(11) . .
F3 P3 F3 177.2(2) 2_556 .
C29 O1 Ru1 90.78(15) . .
C6 C1 C2 118.9(2) . .
C6 C1 P1 123.1(2) . .
C2 C1 P1 118.0(2) . .
C3 C2 C1 121.1(3) . .
C3 C2 H2A 119.5 . .
C1 C2 H2A 119.5 . .
C4 C3 C2 119.3(3) . .
C4 C3 H3A 120.4 . .
C2 C3 H3A 120.4 . .
C5 C4 C3 120.5(3) . .
C5 C4 H4A 119.7 . .
C3 C4 H4A 119.7 . .
C4 C5 C6 121.6(3) . .
C4 C5 H5A 119.2 . .
C6 C5 H5A 119.2 . .
C1 C6 C5 118.5(3) . .
C1 C6 C7 124.1(3) . .
C5 C6 C7 117.4(3) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C13 C8 C9 118.4(2) . .
C13 C8 P1 119.9(2) . .
C9 C8 P1 121.3(2) . .
C10 C9 C8 120.2(3) . .
C10 C9 H9A 119.9 . .
C8 C9 H9A 119.9 . .
C11 C10 C9 120.2(3) . .
C11 C10 H10A 119.9 . .
C9 C10 H10A 119.9 . .
C12 C11 C10 120.0(3) . .
C12 C11 H11A 120.0 . .
C10 C11 H11A 120.0 . .
C13 C12 C11 120.0(3) . .
C13 C12 H12A 120.0 . .
C11 C12 H12A 120.0 . .
C12 C13 C8 121.2(3) . .
C12 C13 H13A 119.4 . .
C8 C13 H13A 119.4 . .
C15 C14 P1 106.87(18) . .
C15 C14 H14A 110.3 . .
P1 C14 H14A 110.3 . .
C15 C14 H14B 110.3 . .
P1 C14 H14B 110.3 . .
H14A C14 H14B 108.6 . .
C14 C15 P2 112.65(17) . .
C14 C15 H15A 109.1 . .
P2 C15 H15A 109.1 . .
C14 C15 H15B 109.1 . .
P2 C15 H15B 109.1 . .
H15A C15 H15B 107.8 . .
C17 C16 C21 119.4(2) . .
C17 C16 P2 116.86(18) . .
C21 C16 P2 123.7(2) . .
C18 C17 C16 121.9(2) . .
C18 C17 H17A 119.0 . .
C16 C17 H17A 119.0 . .
C17 C18 C19 119.1(3) . .
C17 C18 H18A 120.5 . .
C19 C18 H18A 120.5 . .
C20 C19 C18 119.4(3) . .
C20 C19 H19A 120.3 . .
C18 C19 H19A 120.3 . .
C19 C20 C21 122.9(3) . .
C19 C20 H20A 118.6 . .
C21 C20 H20A 118.6 . .
C20 C21 C16 117.2(3) . .
C20 C21 C22 117.4(2) . .
C16 C21 C22 125.4(2) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C28 C23 C24 119.2(2) . .
C28 C23 P2 117.8(2) . .
C24 C23 P2 122.9(2) . .
C25 C24 C23 119.1(3) . .
C25 C24 H24A 120.5 . .
C23 C24 H24A 120.5 . .
C26 C25 C24 121.1(3) . .
C26 C25 H25A 119.4 . .
C24 C25 H25A 119.4 . .
C25 C26 C27 120.1(3) . .
C25 C26 H26A 119.9 . .
C27 C26 H26A 119.9 . .
C26 C27 C28 118.8(3) . .
C26 C27 H27A 120.6 . .
C28 C27 H27A 120.6 . .
C23 C28 C27 121.5(3) . .
C23 C28 H28A 119.3 . .
C27 C28 H28A 119.3 . .
O1 C29 O1 118.5(3) . 3_656
O1 C29 C30 120.77(15) . .
O1 C29 C30 120.77(15) 3_656 .
O1 C29 Ru1 59.23(15) . .
O1 C29 Ru1 59.23(15) 3_656 .
C30 C29 Ru1 180.000(1) . .
C31 C30 C31 119.4(3) . 3_656
C31 C30 C29 120.30(17) . .
C31 C30 C29 120.30(17) 3_656 .
C32 C31 C30 119.9(3) . .
C32 C31 H31A 120.1 . .
C30 C31 H31A 120.1 . .
C33 C32 C31 120.0(3) . .
C33 C32 H32A 120.0 . .
C31 C32 H32A 120.0 . .
C32 C33 C32 120.8(4) . 3_656
C32 C33 H33A 119.60(19) . .
C32 C33 H33A 119.60(19) 3_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 O1 2.1824(17) .
Ru1 O1 2.1824(17) 3_656
Ru1 P2 2.3386(7) .
Ru1 P2 2.3387(7) 3_656
Ru1 P1 2.4299(6) .
Ru1 P1 2.4299(6) 3_656
Ru1 C29 2.540(3) .
P1 C14 1.832(3) .
P1 C8 1.847(3) .
P1 C1 1.849(3) .
P2 C23 1.833(2) .
P2 C16 1.852(3) .
P2 C15 1.857(2) .
P3 F2 1.536(4) .
P3 F1 1.543(3) 2_556
P3 F1 1.543(3) .
P3 F4 1.560(4) .
P3 F3 1.584(2) 2_556
P3 F3 1.584(2) .
O1 C29 1.270(2) .
C1 C6 1.401(4) .
C1 C2 1.407(4) .
C2 C3 1.395(4) .
C2 H2A 0.9500 .
C3 C4 1.378(4) .
C3 H3A 0.9500 .
C4 C5 1.366(4) .
C4 H4A 0.9500 .
C5 C6 1.410(4) .
C5 H5A 0.9500 .
C6 C7 1.502(4) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C13 1.391(4) .
C8 C9 1.398(4) .
C9 C10 1.387(4) .
C9 H9A 0.9500 .
C10 C11 1.382(5) .
C10 H10A 0.9500 .
C11 C12 1.379(5) .
C11 H11A 0.9500 .
C12 C13 1.373(4) .
C12 H12A 0.9500 .
C13 H13A 0.9500 .
C14 C15 1.518(3) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.394(3) .
C16 C21 1.412(4) .
C17 C18 1.384(4) .
C17 H17A 0.9500 .
C18 C19 1.385(4) .
C18 H18A 0.9500 .
C19 C20 1.382(4) .
C19 H19A 0.9500 .
C20 C21 1.398(4) .
C20 H20A 0.9500 .
C21 C22 1.507(4) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C28 1.371(4) .
C23 C24 1.397(4) .
C24 C25 1.392(4) .
C24 H24A 0.9500 .
C25 C26 1.364(4) .
C25 H25A 0.9500 .
C26 C27 1.388(5) .
C26 H26A 0.9500 .
C27 C28 1.392(4) .
C27 H27A 0.9500 .
C28 H28A 0.9500 .
C29 O1 1.270(2) 3_656
C29 C30 1.483(4) .
C30 C31 1.389(3) .
C30 C31 1.389(3) 3_656
C31 C32 1.383(4) .
C31 H31A 0.9500 .
C32 C33 1.367(4) .
C32 H32A 0.9500 .
C33 C32 1.367(4) 3_656
C33 H33A 0.82(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_4
O1 Ru1 P1 C14 -170.33(10) . .
O1 Ru1 P1 C14 129.67(9) 3_656 .
P2 Ru1 P1 C14 26.91(8) . .
P2 Ru1 P1 C14 -67.92(9) 3_656 .
P1 Ru1 P1 C14 159.70(8) 3_656 .
C29 Ru1 P1 C14 159.68(8) . .
O1 Ru1 P1 C8 80.95(11) . .
O1 Ru1 P1 C8 20.94(11) 3_656 .
P2 Ru1 P1 C8 -81.82(10) . .
P2 Ru1 P1 C8 -176.65(10) 3_656 .
P1 Ru1 P1 C8 50.97(10) 3_656 .
C29 Ru1 P1 C8 50.95(10) . .
O1 Ru1 P1 C1 -48.79(12) . .
O1 Ru1 P1 C1 -108.80(12) 3_656 .
P2 Ru1 P1 C1 148.45(11) . .
P2 Ru1 P1 C1 53.62(11) 3_656 .
P1 Ru1 P1 C1 -78.76(11) 3_656 .
C29 Ru1 P1 C1 -78.79(11) . .
O1 Ru1 P2 C23 171.03(16) . .
O1 Ru1 P2 C23 146.85(11) 3_656 .
P2 Ru1 P2 C23 -27.04(10) 3_656 .
P1 Ru1 P2 C23 -126.73(10) . .
P1 Ru1 P2 C23 55.47(10) 3_656 .
C29 Ru1 P2 C23 152.96(10) . .
O1 Ru1 P2 C16 46.95(17) . .
O1 Ru1 P2 C16 22.77(10) 3_656 .
P2 Ru1 P2 C16 -151.12(9) 3_656 .
P1 Ru1 P2 C16 109.19(9) . .
P1 Ru1 P2 C16 -68.61(9) 3_656 .
C29 Ru1 P2 C16 28.88(9) . .
O1 Ru1 P2 C15 -66.10(18) . .
O1 Ru1 P2 C15 -90.28(10) 3_656 .
P2 Ru1 P2 C15 95.82(10) 3_656 .
P1 Ru1 P2 C15 -3.86(10) . .
P1 Ru1 P2 C15 178.34(10) 3_656 .
C29 Ru1 P2 C15 -84.18(10) . .
O1 Ru1 O1 C29 0.0 3_656 .
P2 Ru1 O1 C29 -27.5(2) . .
P2 Ru1 O1 C29 170.89(7) 3_656 .
P1 Ru1 O1 C29 -88.61(8) . .
P1 Ru1 O1 C29 89.92(8) 3_656 .
C14 P1 C1 C6 -162.9(2) . .
C8 P1 C1 C6 -60.0(2) . .
Ru1 P1 C1 C6 74.9(2) . .
C14 P1 C1 C2 17.9(2) . .
C8 P1 C1 C2 120.8(2) . .
Ru1 P1 C1 C2 -104.4(2) . .
C6 C1 C2 C3 -2.6(4) . .
P1 C1 C2 C3 176.7(2) . .
C1 C2 C3 C4 1.5(4) . .
C2 C3 C4 C5 0.8(4) . .
C3 C4 C5 C6 -1.9(5) . .
C2 C1 C6 C5 1.5(4) . .
P1 C1 C6 C5 -177.8(2) . .
C2 C1 C6 C7 -178.6(3) . .
P1 C1 C6 C7 2.2(4) . .
C4 C5 C6 C1 0.8(4) . .
C4 C5 C6 C7 -179.2(3) . .
C14 P1 C8 C13 84.1(2) . .
C1 P1 C8 C13 -23.1(3) . .
Ru1 P1 C8 C13 -162.9(2) . .
C14 P1 C8 C9 -88.3(2) . .
C1 P1 C8 C9 164.5(2) . .
Ru1 P1 C8 C9 24.7(2) . .
C13 C8 C9 C10 2.2(4) . .
P1 C8 C9 C10 174.7(2) . .
C8 C9 C10 C11 -0.8(4) . .
C9 C10 C11 C12 -0.5(5) . .
C10 C11 C12 C13 0.3(5) . .
C11 C12 C13 C8 1.2(5) . .
C9 C8 C13 C12 -2.4(4) . .
P1 C8 C13 C12 -175.0(3) . .
C8 P1 C14 C15 70.70(18) . .
C1 P1 C14 C15 176.37(16) . .
Ru1 P1 C14 C15 -49.74(17) . .
P1 C14 C15 P2 48.8(2) . .
C23 P2 C15 C14 108.4(2) . .
C16 P2 C15 C14 -148.0(2) . .
Ru1 P2 C15 C14 -26.0(2) . .
C23 P2 C16 C17 -122.4(2) . .
C15 P2 C16 C17 131.7(2) . .
Ru1 P2 C16 C17 13.5(2) . .
C23 P2 C16 C21 60.1(2) . .
C15 P2 C16 C21 -45.9(2) . .
Ru1 P2 C16 C21 -164.06(19) . .
C21 C16 C17 C18 0.0(4) . .
P2 C16 C17 C18 -177.6(2) . .
C16 C17 C18 C19 3.2(4) . .
C17 C18 C19 C20 -3.5(4) . .
C18 C19 C20 C21 0.5(5) . .
C19 C20 C21 C16 2.6(4) . .
C19 C20 C21 C22 -176.6(3) . .
C17 C16 C21 C20 -2.9(4) . .
P2 C16 C21 C20 174.6(2) . .
C17 C16 C21 C22 176.3(3) . .
P2 C16 C21 C22 -6.3(4) . .
C16 P2 C23 C28 54.6(2) . .
C15 P2 C23 C28 158.6(2) . .
Ru1 P2 C23 C28 -75.7(2) . .
C16 P2 C23 C24 -122.8(2) . .
C15 P2 C23 C24 -18.8(2) . .
Ru1 P2 C23 C24 106.9(2) . .
C28 C23 C24 C25 -0.4(4) . .
P2 C23 C24 C25 177.0(2) . .
C23 C24 C25 C26 3.0(4) . .
C24 C25 C26 C27 -2.0(5) . .
C25 C26 C27 C28 -1.5(5) . .
C24 C23 C28 C27 -3.1(4) . .
P2 C23 C28 C27 179.4(2) . .
C26 C27 C28 C23 4.0(4) . .
Ru1 O1 C29 O1 0.003(1) . 3_656
Ru1 O1 C29 C30 180.0 . .
O1 Ru1 C29 O1 179.997(2) 3_656 .
P2 Ru1 C29 O1 168.00(9) . .
P2 Ru1 C29 O1 -12.00(9) 3_656 .
P1 Ru1 C29 O1 90.75(9) . .
P1 Ru1 C29 O1 -89.25(9) 3_656 .
O1 Ru1 C29 O1 180.003(1) . 3_656
P2 Ru1 C29 O1 -11.99(9) . 3_656
P2 Ru1 C29 O1 168.01(9) 3_656 3_656
P1 Ru1 C29 O1 -89.25(9) . 3_656
P1 Ru1 C29 O1 90.75(9) 3_656 3_656
O1 Ru1 C29 C30 160(100) . .
O1 Ru1 C29 C30 -20(100) 3_656 .
P2 Ru1 C29 C30 -32(100) . .
P2 Ru1 C29 C30 148(100) 3_656 .
P1 Ru1 C29 C30 -109(100) . .
P1 Ru1 C29 C30 71(100) 3_656 .
O1 C29 C30 C31 1.54(16) . .
O1 C29 C30 C31 -178.46(16) 3_656 .
Ru1 C29 C30 C31 -159(100) . .
O1 C29 C30 C31 -178.45(16) . 3_656
O1 C29 C30 C31 1.54(16) 3_656 3_656
Ru1 C29 C30 C31 21(100) . 3_656
C31 C30 C31 C32 0.3(2) 3_656 .
C29 C30 C31 C32 -179.7(2) . .
C30 C31 C32 C33 -0.6(4) . .
C31 C32 C33 C32 0.3(2) . 3_656
