#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/04/4060496.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_4060496
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 Cl P2 Ru +,Cl O4 -, 2 C H2 Cl2'
_chemical_formula_sum            'C44 H50 Cl6 O4 P2 Ru'
_chemical_formula_weight         1018.55
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 117.49(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.564(3)
_cell_length_b                   14.897(3)
_cell_length_c                   13.853(3)
_cell_measurement_reflns_used    1287
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.25
_cell_volume                     2483.1(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 0.996
_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  0.0501
_diffrn_reflns_av_sigmaI/netI    0.0255
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            99089
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.96
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.741
_exptl_absorpt_correction_T_max  0.916
_exptl_absorpt_correction_T_min  0.691
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.673
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.110
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.23(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     519
_refine_ls_number_reflns         11363
_refine_ls_number_restraints     443
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0726P)²+2.1028P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1136
_refine_ls_wR_factor_ref         0.1153
_reflns_number_gt                10894
_reflns_number_total             11363
_reflns_threshold_expression     I>2σ(I)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4060496
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
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 0.410184(16) 0.472739(15) 0.560611(16) 0.01659(7) Uani 1 1 d . A .
Cl1 Cl 0.47470(8) 0.62324(6) 0.61841(7) 0.02772(18) Uani 1 1 d . . .
P1 P 0.27763(7) 0.54295(6) 0.40128(7) 0.01915(16) Uani 1 1 d . . .
P2 P 0.28307(6) 0.48732(5) 0.63521(6) 0.02044(18) Uani 1 1 d . . .
C1 C 0.3718(6) 0.3247(4) 0.3485(4) 0.0640(17) Uani 1 1 d U B .
H1A H 0.3599 0.3737 0.2971 0.096 Uiso 1 1 calc R . .
H1B H 0.2998 0.3026 0.3390 0.096 Uiso 1 1 calc R . .
H1C H 0.4121 0.2758 0.3350 0.096 Uiso 1 1 calc R . .
C2 C 0.4395(4) 0.3590(3) 0.4646(3) 0.0348(8) Uani 1 1 d U . .
C3 C 0.5264(4) 0.4232(3) 0.4959(4) 0.0368(9) Uani 1 1 d U A .
H3 H 0.5407 0.4500 0.4413 0.044 Uiso 1 1 calc R . .
C4 C 0.5899(3) 0.4475(3) 0.6014(4) 0.0381(9) Uani 1 1 d U . .
H4 H 0.6465 0.4912 0.6186 0.046 Uiso 1 1 calc R B .
C5 C 0.5729(3) 0.4079(3) 0.6887(3) 0.0321(8) Uani 1 1 d U A .
C6 C 0.4857(3) 0.3459(3) 0.6568(3) 0.0295(8) Uani 1 1 d U . .
H6 H 0.4709 0.3192 0.7110 0.035 Uiso 1 1 calc R B .
C7 C 0.4183(3) 0.3215(3) 0.5457(3) 0.0313(8) Uani 1 1 d U A .
H7 H 0.3592 0.2798 0.5269 0.038 Uiso 1 1 calc R . .
C8 C 0.6525(5) 0.4288(4) 0.8046(5) 0.079(2) Uani 0.703(11) 1 d PDU A 1
H8 H 0.6471 0.4955 0.8080 0.095 Uiso 0.703(11) 1 calc PR A 1
C8A C 0.6525(5) 0.4288(4) 0.8046(5) 0.079(2) Uani 0.297(11) 1 d PU A 2
H8A H 0.5928 0.4276 0.8279 0.095 Uiso 0.297(11) 1 calc PR A 2
C9 C 0.6327(8) 0.3996(11) 0.8893(7) 0.092(4) Uani 0.703(11) 1 d PDU A 1
H9A H 0.6946 0.4177 0.9589 0.138 Uiso 0.703(11) 1 calc PR A 1
H9B H 0.6259 0.3340 0.8868 0.138 Uiso 0.703(11) 1 calc PR A 1
H9C H 0.5636 0.4264 0.8820 0.138 Uiso 0.703(11) 1 calc PR A 1
C9A C 0.6956(5) 0.5091(6) 0.8576(5) 0.040(3) Uani 0.297(11) 1 d PDU A 2
H9A1 H 0.7508 0.4969 0.9329 0.060 Uiso 0.297(11) 1 calc PR A 2
H9A2 H 0.6355 0.5458 0.8573 0.060 Uiso 0.297(11) 1 calc PR A 2
H9A3 H 0.7310 0.5413 0.8202 0.060 Uiso 0.297(11) 1 calc PR A 2
C10 C 0.7759(5) 0.4139(6) 0.8193(5) 0.071(3) Uani 0.703(11) 1 d PRDU A 1
H10A H 0.7804 0.4372 0.7553 0.107 Uiso 0.703(11) 1 calc PR A 1
H10B H 0.7935 0.3497 0.8273 0.107 Uiso 0.703(11) 1 calc PR A 1
H10C H 0.8292 0.4459 0.8844 0.107 Uiso 0.703(11) 1 calc PR A 1
C10A C 0.7048(15) 0.3416(11) 0.8647(12) 0.056(5) Uani 0.297(11) 1 d PDU A 2
H10D H 0.6704 0.2904 0.8162 0.084 Uiso 0.297(11) 1 calc PR A 2
H10E H 0.6928 0.3362 0.9290 0.084 Uiso 0.297(11) 1 calc PR A 2
H10F H 0.7848 0.3422 0.8873 0.084 Uiso 0.297(11) 1 calc PR A 2
C11 C 0.1487(3) 0.4838(3) 0.3128(3) 0.0281(7) Uani 1 1 d U B 2
C12 C 0.1308(4) 0.3940(3) 0.3304(3) 0.0380(9) Uani 1 1 d U B 2
H12 H 0.1868 0.3622 0.3900 0.046 Uiso 1 1 calc R B 2
C13 C 0.0316(4) 0.3505(4) 0.2615(4) 0.0585(15) Uani 1 1 d U B 2
H13 H 0.0191 0.2902 0.2752 0.070 Uiso 1 1 calc R B 2
C14 C -0.0485(5) 0.3967(5) 0.1727(4) 0.0665(17) Uani 1 1 d U B 2
H14 H -0.1156 0.3672 0.1251 0.080 Uiso 1 1 calc R B 2
C15 C -0.0322(4) 0.4841(5) 0.1527(4) 0.0571(14) Uani 1 1 d U B 2
H15 H -0.0871 0.5137 0.0903 0.069 Uiso 1 1 calc R B 2
C16 C 0.0646(3) 0.5303(3) 0.2232(3) 0.0382(9) Uani 1 1 d U B 2
H16 H 0.0737 0.5919 0.2112 0.046 Uiso 1 1 calc R B 2
C17 C 0.3386(3) 0.5690(2) 0.3096(3) 0.0267(7) Uani 1 1 d U B 2
C18 C 0.2849(4) 0.5498(4) 0.1987(3) 0.0429(10) Uani 1 1 d U B 2
H18 H 0.2128 0.5238 0.1671 0.051 Uiso 1 1 calc R B 2
C19 C 0.3367(5) 0.5685(5) 0.1330(4) 0.0594(14) Uani 1 1 d U B 2
H19 H 0.2979 0.5582 0.0568 0.071 Uiso 1 1 calc R B 2
C20 C 0.4452(5) 0.6024(4) 0.1800(5) 0.0559(13) Uani 1 1 d U B 2
H20 H 0.4816 0.6124 0.1366 0.067 Uiso 1 1 calc R B 2
C21 C 0.4992(4) 0.6214(3) 0.2906(4) 0.0406(9) Uani 1 1 d U B 2
H21 H 0.5727 0.6446 0.3232 0.049 Uiso 1 1 calc R B 2
C22 C 0.4447(3) 0.6062(3) 0.3539(3) 0.0294(7) Uani 1 1 d U B 2
H22 H 0.4811 0.6216 0.4289 0.035 Uiso 1 1 calc R B 2
C23 C 0.2311(3) 0.6511(2) 0.4299(3) 0.0255(7) Uani 1 1 d U B 2
C24 C 0.1577(3) 0.6504(3) 0.4707(3) 0.0317(8) Uani 1 1 d U B 2
C25 C 0.0937(3) 0.5705(3) 0.4746(3) 0.0324(8) Uani 1 1 d U B 2
C26 C 0.1331(3) 0.4987(3) 0.5410(3) 0.0281(7) Uani 1 1 d U B 2
C27 C 0.2802(4) 0.7370(3) 0.4113(4) 0.0358(9) Uani 1 1 d U B 2
H27A H 0.2287 0.7628 0.3407 0.054 Uiso 1 1 calc R B 2
H27B H 0.3512 0.7236 0.4119 0.054 Uiso 1 1 calc R B 2
H27C H 0.2923 0.7800 0.4692 0.054 Uiso 1 1 calc R B 2
C28 C 0.1245(5) 0.7371(3) 0.5075(5) 0.0504(12) Uani 1 1 d U B 2
H28A H 0.1888 0.7611 0.5715 0.076 Uiso 1 1 calc R B 2
H28B H 0.0644 0.7243 0.5261 0.076 Uiso 1 1 calc R B 2
H28C H 0.0990 0.7813 0.4485 0.076 Uiso 1 1 calc R B 2
C29 C -0.0292(3) 0.5789(4) 0.3971(4) 0.0517(14) Uani 1 1 d U B 2
H29A H -0.0458 0.5483 0.3287 0.078 Uiso 1 1 calc R B 2
H29B H -0.0490 0.6425 0.3826 0.078 Uiso 1 1 calc R B 2
H29C H -0.0723 0.5515 0.4300 0.078 Uiso 1 1 calc R B 2
C30 C 0.0534(3) 0.4268(3) 0.5394(4) 0.0401(10) Uani 1 1 d U B 2
H30A H -0.0186 0.4542 0.5220 0.060 Uiso 1 1 calc R B 2
H30B H 0.0835 0.3980 0.6109 0.060 Uiso 1 1 calc R B 2
H30C H 0.0438 0.3818 0.4841 0.060 Uiso 1 1 calc R B 2
C31 C 0.3060(4) 0.5777(3) 0.7349(3) 0.0282(8) Uani 1 1 d U B 2
C32 C 0.4140(4) 0.6007(3) 0.8101(3) 0.0366(9) Uani 1 1 d U B 2
H32 H 0.4756 0.5762 0.8041 0.044 Uiso 1 1 calc R B 2
C33 C 0.4315(6) 0.6605(4) 0.8951(4) 0.0564(13) Uani 1 1 d U B 2
H33 H 0.5051 0.6769 0.9457 0.068 Uiso 1 1 calc R B 2
C34 C 0.3446(7) 0.6952(4) 0.9058(5) 0.0665(16) Uani 1 1 d U B 2
H34 H 0.3576 0.7360 0.9632 0.080 Uiso 1 1 calc R B 2
C35 C 0.2353(6) 0.6709(4) 0.8319(5) 0.0616(15) Uani 1 1 d U B 2
H35 H 0.1741 0.6943 0.8395 0.074 Uiso 1 1 calc R B 2
C36 C 0.2173(4) 0.6116(3) 0.7468(4) 0.0407(9) Uani 1 1 d U B 2
H36 H 0.1437 0.5946 0.6969 0.049 Uiso 1 1 calc R B 2
C37 C 0.2901(3) 0.3876(3) 0.7176(3) 0.0253(7) Uani 1 1 d U B 2
C38 C 0.2583(3) 0.3029(3) 0.6683(4) 0.0331(8) Uani 1 1 d U B 2
H38 H 0.2308 0.2983 0.5918 0.040 Uiso 1 1 calc R B 2
C39 C 0.2656(3) 0.2257(3) 0.7275(4) 0.0379(9) Uani 1 1 d U B 2
H39 H 0.2433 0.1693 0.6920 0.046 Uiso 1 1 calc R B 2
C40 C 0.3061(4) 0.2326(3) 0.8398(4) 0.0448(11) Uani 1 1 d U B 2
H40 H 0.3112 0.1804 0.8812 0.054 Uiso 1 1 calc R B 2
C41 C 0.3390(4) 0.3146(3) 0.8913(4) 0.0451(10) Uani 1 1 d U B 2
H41 H 0.3681 0.3181 0.9681 0.054 Uiso 1 1 calc R B 2
C42 C 0.3297(3) 0.3936(3) 0.8307(3) 0.0343(8) Uani 1 1 d U B 2
H42 H 0.3502 0.4501 0.8662 0.041 Uiso 1 1 calc R B 2
Cl2 Cl 0.82909(8) 0.60435(7) 0.59541(9) 0.0380(2) Uani 1 1 d . C 2
O1 O 0.7898(13) 0.6105(10) 0.6764(10) 0.087(4) Uani 0.620(16) 1 d PU D 1
O2 O 0.7981(13) 0.5238(9) 0.5415(16) 0.122(6) Uani 0.620(16) 1 d PU D 1
O3 O 0.9446(7) 0.5992(9) 0.6616(10) 0.098(4) Uani 0.620(16) 1 d PU D 1
O4 O 0.8018(12) 0.6782(7) 0.5281(10) 0.112(5) Uani 0.620(16) 1 d PU D 1
O1A O 0.903(3) 0.538(3) 0.657(3) 0.221(18) Uani 0.380(16) 1 d PU C 2
O3A O 0.8975(19) 0.6617(17) 0.570(2) 0.124(10) Uani 0.380(16) 1 d PU C 2
O4A O 0.758(2) 0.643(2) 0.628(3) 0.127(11) Uani 0.380(16) 1 d PU C 2
O2A O 0.747(3) 0.582(2) 0.4883(15) 0.143(10) Uani 0.380(16) 1 d PU C 2
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'
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'
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
Cl1 Ru P1 84.32(4) . . ?
Cl1 Ru P2 89.75(3) . . ?
Cl1 Ru C2 138.23(13) . . ?
Cl1 Ru C3 102.84(12) . . ?
Cl1 Ru C4 83.55(10) . . ?
Cl1 Ru C5 93.57(11) . . ?
Cl1 Ru C6 125.81(12) . . ?
Cl1 Ru C7 158.43(10) . . ?
P1 Ru P2 88.50(3) . . ?
P1 Ru C2 92.64(10) . . ?
P1 Ru C3 98.26(11) . . ?
P1 Ru C4 125.21(13) . . ?
P1 Ru C5 162.16(11) . . ?
P1 Ru C6 149.85(12) . . ?
P1 Ru C7 113.82(10) . . ?
P2 Ru C2 131.90(13) . . ?
P2 Ru C3 166.20(10) . . ?
P2 Ru C4 144.45(13) . . ?
P2 Ru C5 109.23(11) . . ?
P2 Ru C6 92.41(10) . . ?
P2 Ru C7 101.80(11) . . ?
C2 Ru C3 36.28(17) . . ?
C2 Ru C4 64.44(16) . . ?
C2 Ru C5 77.13(14) . . ?
C2 Ru C6 64.78(15) . . ?
C2 Ru C7 35.62(16) . . ?
C3 Ru C4 34.90(18) . . ?
C3 Ru C5 64.87(15) . . ?
C3 Ru C6 75.71(14) . . ?
C3 Ru C7 64.47(15) . . ?
C4 Ru C5 37.08(16) . . ?
C4 Ru C6 64.67(15) . . ?
C4 Ru C7 76.45(14) . . ?
C5 Ru C6 35.65(15) . . ?
C5 Ru C7 65.52(14) . . ?
C6 Ru C7 36.70(15) . . ?
Ru P1 C11 119.59(13) . . ?
Ru P1 C17 110.32(12) . . ?
Ru P1 C23 112.15(12) . . ?
C11 P1 C17 103.46(17) . . ?
C11 P1 C23 104.42(18) . . ?
C17 P1 C23 105.74(16) . . ?
Ru P2 C26 118.74(12) . . ?
Ru P2 C31 118.83(14) . . ?
Ru P2 C37 110.58(12) . . ?
C26 P2 C31 102.18(19) . . ?
C26 P2 C37 103.61(17) . . ?
C31 P2 C37 100.42(16) . . ?
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 132.5(3) . . ?
Ru C2 C3 70.6(2) . . ?
Ru C2 C7 71.1(2) . . ?
C1 C2 C3 123.9(5) . . ?
C1 C2 C7 117.8(5) . . ?
C3 C2 C7 118.2(4) . . ?
Ru C3 C2 73.1(2) . . ?
Ru C3 H3 127.7 . . ?
Ru C3 C4 72.5(2) . . ?
C2 C3 H3 119.0 . . ?
C2 C3 C4 122.1(4) . . ?
H3 C3 C4 119.0 . . ?
Ru C4 C3 72.6(2) . . ?
Ru C4 H4 126.9 . . ?
Ru C4 C5 73.2(2) . . ?
C3 C4 H4 119.3 . . ?
C3 C4 C5 121.5(4) . . ?
H4 C4 C5 119.3 . . ?
Ru C5 C4 69.7(2) . . ?
Ru C5 C6 70.4(2) . . ?
Ru C5 C8 134.2(3) . . ?
C4 C5 C6 116.0(4) . . ?
C4 C5 C8 119.7(5) . . ?
C6 C5 C8 124.1(5) . . ?
Ru C6 C5 73.9(2) . . ?
Ru C6 H6 127.6 . . ?
Ru C6 C7 71.8(2) . . ?
C5 C6 H6 118.8 . . ?
C5 C6 C7 122.4(4) . . ?
H6 C6 C7 118.8 . . ?
Ru C7 C2 73.3(2) . . ?
Ru C7 C6 71.5(2) . . ?
Ru C7 H7 127.1 . . ?
C2 C7 C6 119.8(4) . . ?
C2 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C5 C8 H8 103.0 . . ?
C5 C8 C9 121.1(7) . . ?
C5 C8 C10 107.5(5) . . ?
H8 C8 C9 103.0 . . ?
H8 C8 C10 103.0 . . ?
C9 C8 C10 116.6(6) . . ?
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 . . ?
H9A1 C9A H9A2 109.5 . . ?
H9A1 C9A H9A3 109.5 . . ?
H9A2 C9A H9A3 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 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
P1 C11 C12 122.1(3) . . ?
P1 C11 C16 118.9(3) . . ?
C12 C11 C16 119.0(3) . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.8(4) . . ?
H12 C12 C13 119.6 . . ?
C12 C13 H13 120.4 . . ?
C12 C13 C14 119.2(5) . . ?
H13 C13 C14 120.4 . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C15 121.1(5) . . ?
H14 C14 C15 119.5 . . ?
C14 C15 H15 119.6 . . ?
C14 C15 C16 120.8(5) . . ?
H15 C15 C16 119.6 . . ?
C11 C16 C15 119.0(4) . . ?
C11 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
P1 C17 C18 122.8(3) . . ?
P1 C17 C22 118.7(3) . . ?
C18 C17 C22 118.4(4) . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.5(5) . . ?
H18 C18 C19 119.7 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.1(5) . . ?
H19 C19 C20 120.0 . . ?
C19 C20 H20 120.3 . . ?
C19 C20 C21 119.5(4) . . ?
H20 C20 C21 120.3 . . ?
C20 C21 H21 120.1 . . ?
C20 C21 C22 119.7(5) . . ?
H21 C21 C22 120.1 . . ?
C17 C22 C21 121.6(4) . . ?
C17 C22 H22 119.2 . . ?
C21 C22 H22 119.2 . . ?
P1 C23 C24 118.4(3) . . ?
P1 C23 C27 118.7(3) . . ?
C24 C23 C27 122.8(3) . . ?
C23 C24 C25 125.1(4) . . ?
C23 C24 C28 121.3(4) . . ?
C25 C24 C28 113.3(3) . . ?
C24 C25 C26 127.2(3) . . ?
C24 C25 C29 112.2(3) . . ?
C26 C25 C29 120.5(4) . . ?
P2 C26 C25 120.9(3) . . ?
P2 C26 C30 119.4(3) . . ?
C25 C26 C30 119.7(3) . . ?
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 119.6(3) . . ?
P2 C31 C36 120.0(4) . . ?
C32 C31 C36 119.5(4) . . ?
C31 C32 H32 120.2 . . ?
C31 C32 C33 119.6(5) . . ?
H32 C32 C33 120.2 . . ?
C32 C33 H33 119.5 . . ?
C32 C33 C34 120.9(6) . . ?
H33 C33 C34 119.5 . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 119.9(5) . . ?
H34 C34 C35 120.0 . . ?
C34 C35 H35 120.3 . . ?
C34 C35 C36 119.4(5) . . ?
H35 C35 C36 120.3 . . ?
C31 C36 C35 120.5(5) . . ?
C31 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
P2 C37 C38 120.3(3) . . ?
P2 C37 C42 121.4(3) . . ?
C38 C37 C42 118.2(4) . . ?
C37 C38 H38 118.9 . . ?
C37 C38 C39 122.3(4) . . ?
H38 C38 C39 118.9 . . ?
C38 C39 H39 120.6 . . ?
C38 C39 C40 118.8(4) . . ?
H39 C39 C40 120.6 . . ?
C39 C40 H40 119.7 . . ?
C39 C40 C41 120.5(4) . . ?
H40 C40 C41 119.7 . . ?
C40 C41 H41 119.7 . . ?
C40 C41 C42 120.6(4) . . ?
H41 C41 C42 119.7 . . ?
C37 C42 C41 119.5(4) . . ?
C37 C42 H42 120.3 . . ?
C41 C42 H42 120.3 . . ?
O1A Cl2 O3A 102(2) . . ?
O1A Cl2 O4A 121(3) . . ?
O1A Cl2 O2A 119(2) . . ?
O3A Cl2 O4A 118.3(17) . . ?
O3A Cl2 O2A 99.4(13) . . ?
O4A Cl2 O2A 96(2) . . ?
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 Cl1 2.4056(10) . ?
Ru P1 2.3526(12) . ?
Ru P2 2.3944(9) . ?
Ru C2 2.299(4) . ?
Ru C3 2.267(4) . ?
Ru C4 2.265(4) . ?
Ru C5 2.311(4) . ?
Ru C6 2.266(4) . ?
Ru C7 2.270(4) . ?
P1 C11 1.833(4) . ?
P1 C17 1.849(4) . ?
P1 C23 1.839(4) . ?
P2 C26 1.849(4) . ?
P2 C31 1.849(4) . ?
P2 C37 1.849(4) . ?
C1 H1A 0.980 . ?
C1 H1B 0.980 . ?
C1 H1C 0.980 . ?
C1 C2 1.525(6) . ?
C2 C3 1.422(7) . ?
C2 C7 1.398(6) . ?
C3 H3 0.950 . ?
C3 C4 1.359(7) . ?
C4 H4 0.950 . ?
C4 C5 1.456(6) . ?
C5 C6 1.402(6) . ?
C5 C8 1.497(7) . ?
C6 H6 0.950 . ?
C6 C7 1.428(6) . ?
C7 H7 0.950 . ?
C8 H8 1.000 . ?
C8 C9 1.388(11) . ?
C8 C10 1.606(8) . ?
C9 H9A 0.980 . ?
C9 H9B 0.980 . ?
C9 H9C 0.980 . ?
C9A H9A1 0.980 . ?
C9A H9A2 0.980 . ?
C9A H9A3 0.980 . ?
C10 H10A 0.980 . ?
C10 H10B 0.980 . ?
C10 H10C 0.980 . ?
C10A H10D 0.980 . ?
C10A H10E 0.980 . ?
C10A H10F 0.980 . ?
C11 C12 1.401(6) . ?
C11 C16 1.419(5) . ?
C12 H12 0.950 . ?
C12 C13 1.398(6) . ?
C13 H13 0.950 . ?
C13 C14 1.391(7) . ?
C14 H14 0.950 . ?
C14 C15 1.370(9) . ?
C15 H15 0.950 . ?
C15 C16 1.403(6) . ?
C16 H16 0.950 . ?
C17 C18 1.393(6) . ?
C17 C22 1.393(6) . ?
C18 H18 0.950 . ?
C18 C19 1.411(6) . ?
C19 H19 0.950 . ?
C19 C20 1.400(9) . ?
C20 H20 0.950 . ?
C20 C21 1.388(8) . ?
C21 H21 0.950 . ?
C21 C22 1.402(5) . ?
C22 H22 0.950 . ?
C23 C24 1.352(5) . ?
C23 C27 1.518(5) . ?
C24 C25 1.489(6) . ?
C24 C28 1.531(6) . ?
C25 C26 1.350(5) . ?
C25 C29 1.515(5) . ?
C26 C30 1.513(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 1.394(6) . ?
C31 C36 1.383(6) . ?
C32 H32 0.950 . ?
C32 C33 1.407(6) . ?
C33 H33 0.950 . ?
C33 C34 1.356(10) . ?
C34 H34 0.950 . ?
C34 C35 1.407(10) . ?
C35 H35 0.950 . ?
C35 C36 1.400(7) . ?
C36 H36 0.950 . ?
C37 C38 1.404(6) . ?
C37 C42 1.404(6) . ?
C38 H38 0.950 . ?
C38 C39 1.389(6) . ?
C39 H39 0.950 . ?
C39 C40 1.394(8) . ?
C40 H40 0.950 . ?
C40 C41 1.381(8) . ?
C41 H41 0.950 . ?
C41 C42 1.417(6) . ?
C42 H42 0.950 . ?
Cl2 O1A 1.38(3) . ?
Cl2 O3A 1.423(16) . ?
Cl2 O4A 1.361(18) . ?
Cl2 O2A 1.423(18) . ?
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
Cl1 Ru P1 C11 -159.04(15) . . . . ?
Cl1 Ru P1 C17 81.25(13) . . . . ?
Cl1 Ru P1 C23 -36.33(13) . . . . ?
P2 Ru P1 C11 -69.14(14) . . . . ?
P2 Ru P1 C17 171.15(13) . . . . ?
P2 Ru P1 C23 53.56(13) . . . . ?
C2 Ru P1 C11 62.74(19) . . . . ?
C2 Ru P1 C17 -56.97(18) . . . . ?
C2 Ru P1 C23 -174.56(17) . . . . ?
C3 Ru P1 C11 98.77(19) . . . . ?
C3 Ru P1 C17 -20.94(18) . . . . ?
C3 Ru P1 C23 -138.53(17) . . . . ?
C4 Ru P1 C11 123.00(19) . . . . ?
C4 Ru P1 C17 3.29(19) . . . . ?
C4 Ru P1 C23 -114.30(18) . . . . ?
C5 Ru P1 C11 117.0(4) . . . . ?
C5 Ru P1 C17 -2.7(4) . . . . ?
C5 Ru P1 C23 -120.3(4) . . . . ?
C6 Ru P1 C11 23.1(3) . . . . ?
C6 Ru P1 C17 -96.6(2) . . . . ?
C6 Ru P1 C23 145.8(2) . . . . ?
C7 Ru P1 C11 33.10(19) . . . . ?
C7 Ru P1 C17 -86.61(18) . . . . ?
C7 Ru P1 C23 155.80(17) . . . . ?
Cl1 Ru P2 C26 107.55(14) . . . . ?
Cl1 Ru P2 C31 -17.66(15) . . . . ?
Cl1 Ru P2 C37 -132.94(14) . . . . ?
P1 Ru P2 C26 23.23(14) . . . . ?
P1 Ru P2 C31 -101.98(15) . . . . ?
P1 Ru P2 C37 142.74(14) . . . . ?
C2 Ru P2 C26 -68.98(19) . . . . ?
C2 Ru P2 C31 165.81(19) . . . . ?
C2 Ru P2 C37 50.53(19) . . . . ?
C3 Ru P2 C26 -96.5(6) . . . . ?
C3 Ru P2 C31 138.3(5) . . . . ?
C3 Ru P2 C37 23.0(6) . . . . ?
C4 Ru P2 C26 -174.0(2) . . . . ?
C4 Ru P2 C31 60.8(2) . . . . ?
C4 Ru P2 C37 -54.5(2) . . . . ?
C5 Ru P2 C26 -158.76(17) . . . . ?
C5 Ru P2 C31 76.03(18) . . . . ?
C5 Ru P2 C37 -39.25(18) . . . . ?
C6 Ru P2 C26 -126.62(18) . . . . ?
C6 Ru P2 C31 108.18(19) . . . . ?
C6 Ru P2 C37 -7.11(18) . . . . ?
C7 Ru P2 C26 -90.81(17) . . . . ?
C7 Ru P2 C31 143.98(17) . . . . ?
C7 Ru P2 C37 28.70(17) . . . . ?
Cl1 Ru C2 C1 -102.8(6) . . . . ?
Cl1 Ru C2 C3 15.9(3) . . . . ?
Cl1 Ru C2 C7 146.54(19) . . . . ?
P1 Ru C2 C1 -18.3(6) . . . . ?
P1 Ru C2 C3 100.4(2) . . . . ?
P1 Ru C2 C7 -129.0(2) . . . . ?
P2 Ru C2 C1 72.0(6) . . . . ?
P2 Ru C2 C3 -169.27(19) . . . . ?
P2 Ru C2 C7 -38.7(3) . . . . ?
C3 Ru C2 C1 -118.7(6) . . . . ?
C3 Ru C2 C7 130.6(3) . . . . ?
C4 Ru C2 C1 -146.5(6) . . . . ?
C4 Ru C2 C3 -27.8(2) . . . . ?
C4 Ru C2 C7 102.8(3) . . . . ?
C5 Ru C2 C1 176.4(6) . . . . ?
C5 Ru C2 C3 -64.9(2) . . . . ?
C5 Ru C2 C7 65.7(2) . . . . ?
C6 Ru C2 C1 140.9(6) . . . . ?
C6 Ru C2 C3 -100.4(3) . . . . ?
C6 Ru C2 C7 30.2(2) . . . . ?
C7 Ru C2 C1 110.7(6) . . . . ?
C7 Ru C2 C3 -130.6(3) . . . . ?
Ru C2 C3 C4 55.8(3) . . . . ?
C1 C2 C3 Ru 128.8(4) . . . . ?
C1 C2 C3 C4 -175.4(4) . . . . ?
C7 C2 C3 Ru -54.6(3) . . . . ?
C7 C2 C3 C4 1.2(6) . . . . ?
Cl1 Ru C3 C2 -169.2(2) . . . . ?
Cl1 Ru C3 C4 58.1(2) . . . . ?
P1 Ru C3 C2 -83.2(2) . . . . ?
P1 Ru C3 C4 144.1(2) . . . . ?
P2 Ru C3 C2 35.5(7) . . . . ?
P2 Ru C3 C4 -97.2(6) . . . . ?
C2 Ru C3 C4 -132.7(3) . . . . ?
C4 Ru C3 C2 132.7(3) . . . . ?
C5 Ru C3 C2 102.9(3) . . . . ?
C5 Ru C3 C4 -29.8(2) . . . . ?
C6 Ru C3 C2 66.7(2) . . . . ?
C6 Ru C3 C4 -66.0(3) . . . . ?
C7 Ru C3 C2 29.3(2) . . . . ?
C7 Ru C3 C4 -103.4(3) . . . . ?
Ru C3 C4 C5 56.9(3) . . . . ?
C2 C3 C4 Ru -56.1(3) . . . . ?
C2 C3 C4 C5 0.8(6) . . . . ?
Cl1 Ru C4 C3 -123.6(2) . . . . ?
Cl1 Ru C4 C5 104.7(2) . . . . ?
P1 Ru C4 C3 -45.2(3) . . . . ?
P1 Ru C4 C5 -176.95(18) . . . . ?
P2 Ru C4 C3 155.98(19) . . . . ?
P2 Ru C4 C5 24.2(3) . . . . ?
C2 Ru C4 C3 28.8(2) . . . . ?
C2 Ru C4 C5 -102.9(3) . . . . ?
C3 Ru C4 C5 -131.7(3) . . . . ?
C5 Ru C4 C3 131.7(3) . . . . ?
C6 Ru C4 C3 101.6(3) . . . . ?
C6 Ru C4 C5 -30.1(2) . . . . ?
C7 Ru C4 C3 64.6(2) . . . . ?
C7 Ru C4 C5 -67.2(2) . . . . ?
Ru C4 C5 C6 54.7(3) . . . . ?
Ru C4 C5 C8 -130.2(4) . . . . ?
C3 C4 C5 Ru -56.6(3) . . . . ?
C3 C4 C5 C6 -1.9(5) . . . . ?
C3 C4 C5 C8 173.2(4) . . . . ?
Cl1 Ru C5 C4 -74.4(2) . . . . ?
Cl1 Ru C5 C6 156.8(2) . . . . ?
Cl1 Ru C5 C8 37.8(6) . . . . ?
P1 Ru C5 C4 8.1(5) . . . . ?
P1 Ru C5 C6 -120.7(3) . . . . ?
P1 Ru C5 C8 120.3(5) . . . . ?
P2 Ru C5 C4 -165.4(2) . . . . ?
P2 Ru C5 C6 65.8(2) . . . . ?
P2 Ru C5 C8 -53.2(6) . . . . ?
C2 Ru C5 C4 64.4(2) . . . . ?
C2 Ru C5 C6 -64.4(3) . . . . ?
C2 Ru C5 C8 176.6(6) . . . . ?
C3 Ru C5 C4 28.1(2) . . . . ?
C3 Ru C5 C6 -100.7(3) . . . . ?
C3 Ru C5 C8 140.3(6) . . . . ?
C4 Ru C5 C6 -128.9(3) . . . . ?
C4 Ru C5 C8 112.2(6) . . . . ?
C6 Ru C5 C4 128.9(3) . . . . ?
C6 Ru C5 C8 -119.0(6) . . . . ?
C7 Ru C5 C4 100.1(3) . . . . ?
C7 Ru C5 C6 -28.8(2) . . . . ?
C7 Ru C5 C8 -147.7(6) . . . . ?
Ru C5 C6 C7 55.5(3) . . . . ?
C4 C5 C6 Ru -54.4(3) . . . . ?
C4 C5 C6 C7 1.1(5) . . . . ?
C8 C5 C6 Ru 130.8(4) . . . . ?
C8 C5 C6 C7 -173.8(4) . . . . ?
Cl1 Ru C6 C5 -29.0(3) . . . . ?
Cl1 Ru C6 C7 -162.0(2) . . . . ?
P1 Ru C6 C5 148.4(2) . . . . ?
P1 Ru C6 C7 15.5(4) . . . . ?
P2 Ru C6 C5 -120.5(2) . . . . ?
P2 Ru C6 C7 106.6(2) . . . . ?
C2 Ru C6 C5 103.5(3) . . . . ?
C2 Ru C6 C7 -29.4(2) . . . . ?
C3 Ru C6 C5 66.6(3) . . . . ?
C3 Ru C6 C7 -66.3(3) . . . . ?
C4 Ru C6 C5 31.3(2) . . . . ?
C4 Ru C6 C7 -101.6(3) . . . . ?
C5 Ru C6 C7 -132.9(4) . . . . ?
C7 Ru C6 C5 132.9(4) . . . . ?
Ru C2 C7 C6 -56.4(3) . . . . ?
C1 C2 C7 Ru -128.8(4) . . . . ?
C1 C2 C7 C6 174.8(4) . . . . ?
C3 C2 C7 Ru 54.4(3) . . . . ?
C3 C2 C7 C6 -2.0(5) . . . . ?
Ru C6 C7 C2 57.2(3) . . . . ?
C5 C6 C7 Ru -56.4(3) . . . . ?
C5 C6 C7 C2 0.8(6) . . . . ?
Cl1 Ru C7 C2 -87.3(4) . . . . ?
Cl1 Ru C7 C6 43.1(4) . . . . ?
P1 Ru C7 C2 58.0(2) . . . . ?
P1 Ru C7 C6 -171.58(19) . . . . ?
P2 Ru C7 C2 151.6(2) . . . . ?
P2 Ru C7 C6 -78.0(2) . . . . ?
C2 Ru C7 C6 130.4(3) . . . . ?
C3 Ru C7 C2 -29.9(2) . . . . ?
C3 Ru C7 C6 100.5(3) . . . . ?
C4 Ru C7 C2 -64.8(3) . . . . ?
C4 Ru C7 C6 65.6(2) . . . . ?
C5 Ru C7 C2 -102.4(3) . . . . ?
C5 Ru C7 C6 28.0(2) . . . . ?
C6 Ru C7 C2 -130.4(3) . . . . ?
Ru C5 C8 C9 83.5(9) . . . . ?
Ru C5 C8 C10 -139.0(5) . . . . ?
C4 C5 C8 C9 173.4(8) . . . . ?
C4 C5 C8 C10 -49.1(6) . . . . ?
C6 C5 C8 C9 -11.9(9) . . . . ?
C6 C5 C8 C10 125.6(6) . . . . ?
Ru P1 C11 C12 -6.8(4) . . . . ?
Ru P1 C11 C16 173.5(3) . . . . ?
C17 P1 C11 C12 116.3(4) . . . . ?
C17 P1 C11 C16 -63.4(4) . . . . ?
C23 P1 C11 C12 -133.2(4) . . . . ?
C23 P1 C11 C16 47.1(4) . . . . ?
P1 C11 C12 C13 -180.0(4) . . . . ?
C16 C11 C12 C13 -0.3(7) . . . . ?
C11 C12 C13 C14 1.9(9) . . . . ?
C12 C13 C14 C15 -0.8(11) . . . . ?
C13 C14 C15 C16 -1.9(11) . . . . ?
C14 C15 C16 C11 3.5(9) . . . . ?
P1 C11 C16 C15 177.3(4) . . . . ?
C12 C11 C16 C15 -2.4(7) . . . . ?
Ru P1 C17 C18 133.2(3) . . . . ?
Ru P1 C17 C22 -44.2(3) . . . . ?
C11 P1 C17 C18 4.1(4) . . . . ?
C11 P1 C17 C22 -173.2(3) . . . . ?
C23 P1 C17 C18 -105.3(4) . . . . ?
C23 P1 C17 C22 77.3(3) . . . . ?
P1 C17 C18 C19 -178.0(4) . . . . ?
C22 C17 C18 C19 -0.7(7) . . . . ?
C17 C18 C19 C20 3.4(8) . . . . ?
C18 C19 C20 C21 -3.1(9) . . . . ?
C19 C20 C21 C22 0.2(8) . . . . ?
P1 C17 C22 C21 175.2(3) . . . . ?
C18 C17 C22 C21 -2.3(6) . . . . ?
C20 C21 C22 C17 2.5(7) . . . . ?
Ru P1 C23 C24 -77.0(3) . . . . ?
Ru P1 C23 C27 100.5(3) . . . . ?
C11 P1 C23 C24 53.9(3) . . . . ?
C11 P1 C23 C27 -128.6(3) . . . . ?
C17 P1 C23 C24 162.7(3) . . . . ?
C17 P1 C23 C27 -19.8(3) . . . . ?
P1 C23 C24 C25 -12.7(5) . . . . ?
P1 C23 C24 C28 173.6(3) . . . . ?
C27 C23 C24 C25 170.0(4) . . . . ?
C27 C23 C24 C28 -3.8(6) . . . . ?
C23 C24 C25 C26 72.8(6) . . . . ?
C23 C24 C25 C29 -110.7(5) . . . . ?
C28 C24 C25 C26 -113.1(5) . . . . ?
C28 C24 C25 C29 63.5(5) . . . . ?
C24 C25 C26 P2 -4.2(6) . . . . ?
C24 C25 C26 C30 175.2(4) . . . . ?
C29 C25 C26 P2 179.5(4) . . . . ?
C29 C25 C26 C30 -1.0(7) . . . . ?
Ru P2 C26 C25 -63.8(4) . . . . ?
Ru P2 C26 C30 116.8(3) . . . . ?
C31 P2 C26 C25 69.1(4) . . . . ?
C31 P2 C26 C30 -110.3(4) . . . . ?
C37 P2 C26 C25 173.2(3) . . . . ?
C37 P2 C26 C30 -6.3(4) . . . . ?
Ru P2 C31 C32 -36.6(4) . . . . ?
Ru P2 C31 C36 154.2(3) . . . . ?
C26 P2 C31 C32 -169.5(3) . . . . ?
C26 P2 C31 C36 21.3(4) . . . . ?
C37 P2 C31 C32 84.0(3) . . . . ?
C37 P2 C31 C36 -85.2(3) . . . . ?
P2 C31 C32 C33 -171.4(3) . . . . ?
C36 C31 C32 C33 -2.1(6) . . . . ?
C31 C32 C33 C34 0.9(7) . . . . ?
C32 C33 C34 C35 0.6(8) . . . . ?
C33 C34 C35 C36 -0.8(8) . . . . ?
P2 C31 C36 C35 171.1(4) . . . . ?
C32 C31 C36 C35 1.9(6) . . . . ?
C34 C35 C36 C31 -0.4(7) . . . . ?
Ru P2 C37 C38 -64.5(3) . . . . ?
Ru P2 C37 C42 113.8(3) . . . . ?
C26 P2 C37 C38 63.8(3) . . . . ?
C26 P2 C37 C42 -117.9(3) . . . . ?
C31 P2 C37 C38 169.2(3) . . . . ?
C31 P2 C37 C42 -12.6(3) . . . . ?
P2 C37 C38 C39 177.9(3) . . . . ?
C42 C37 C38 C39 -0.5(6) . . . . ?
C37 C38 C39 C40 -0.1(6) . . . . ?
C38 C39 C40 C41 -0.3(6) . . . . ?
C39 C40 C41 C42 1.5(7) . . . . ?
P2 C37 C42 C41 -176.8(3) . . . . ?
C38 C37 C42 C41 1.5(6) . . . . ?
C40 C41 C42 C37 -2.1(7) . . . . ?
