#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:33:37 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178816 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/70/4107095.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_4107095
loop_
_publ_author_name
'Mark A. Fox'
'Boris Le Guennic'
'Rachel L. Roberts'
'Daniel A. Brue'
'Dmitry S. Yufit'
'Judith A. K. Howard'
'Gabriele Manca'
'Jean-François Halet'
'František Hartl'
'Paul J. Low'
_publ_contact_author_address
;
Department of Chemistry
Durham University,
South Rd.,
Durham
DH1 3LE
UK
;
_publ_contact_author_fax         '0191 384 4737'
_publ_contact_author_name
;
Yufit, Dmitry S. 
;
_publ_contact_author_phone       '0191 334 2004'
_publ_section_title
;
 Simultaneous Bridge-Localized and Mixed-Valence Character in Diruthenium
 Radical Cations Featuring Diethynylaromatic Bridging Ligands
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18433
_journal_page_last               18446
_journal_paper_doi               10.1021/ja207827m
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C90 H86 P4 Ru2, 5(C6 H6)'
_chemical_formula_sum            'C120 H116 P4 Ru2'
_chemical_formula_weight         1884.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.876(3)
_cell_angle_beta                 101.348(3)
_cell_angle_gamma                114.727(4)
_cell_formula_units_Z            1
_cell_length_a                   11.9292(12)
_cell_length_b                   13.7023(13)
_cell_length_c                   17.4694(17)
_cell_measurement_reflns_used    1663
_cell_measurement_temperature    250(2)
_cell_measurement_theta_max      26.32
_cell_measurement_theta_min      2.597
_cell_volume                     2451.6(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      250(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.876
_diffrn_measurement_device_type  'Bruker SMART CCD 6000 Diffractometer'
_diffrn_measurement_method       ω-scan
_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  0.0752
_diffrn_reflns_av_sigmaI/netI    0.1875
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20000
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         30.54
_diffrn_reflns_theta_min         1.23
_exptl_absorpt_coefficient_mu    0.423
_exptl_absorpt_correction_T_max  0.9669
_exptl_absorpt_correction_T_min  0.9510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs spherical absorption correction'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.611
_refine_diff_density_min         -2.257
_refine_diff_density_rms         0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         13127
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.1851
_refine_ls_R_factor_gt           0.0769
_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)+(0.1139P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1695
_refine_ls_wR_factor_ref         0.2410
_reflns_number_gt                6381
_reflns_number_total             13127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja207827m_si_002_1.cif
_cod_data_source_block           5_srv271
_cod_database_code               4107095
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Ru1 Ru 0.67622(5) 0.85138(4) 0.22853(3) 0.02751(16) Uani 1 1 d . . .
P1 P 0.77033(17) 1.03419(14) 0.29427(9) 0.0332(4) Uani 1 1 d . . .
P2 P 0.55287(16) 0.89884(14) 0.14185(9) 0.0315(4) Uani 1 1 d . . .
C1 C 0.7962(6) 0.9029(5) 0.1600(3) 0.0321(14) Uani 1 1 d . . .
C2 C 0.8668(6) 0.9338(5) 0.1168(3) 0.0327(14) Uani 1 1 d . . .
C3 C 0.9341(6) 0.9664(5) 0.0594(3) 0.0293(13) Uani 1 1 d . . .
C4 C 1.0235(6) 1.0799(5) 0.0709(3) 0.0292(13) Uani 1 1 d . . .
C5 C 1.0511(7) 1.1626(6) 0.1426(4) 0.0451(17) Uani 1 1 d . . .
H5 H 1.0093 1.1418 0.1821 0.054 Uiso 1 1 calc R . .
C6 C 1.1371(8) 1.2710(6) 0.1542(5) 0.058(2) Uani 1 1 d . . .
H6 H 1.1544 1.3245 0.2015 0.069 Uiso 1 1 calc R . .
C7 C 1.1997(8) 1.3029(6) 0.0960(5) 0.059(2) Uani 1 1 d . . .
H7 H 1.2584 1.3782 0.1045 0.071 Uiso 1 1 calc R . .
C8 C 1.1775(7) 1.2279(6) 0.0278(4) 0.0443(17) Uani 1 1 d . . .
H8 H 1.2215 1.2518 -0.0102 0.053 Uiso 1 1 calc R . .
C9 C 1.0887(6) 1.1130(5) 0.0120(4) 0.0318(13) Uani 1 1 d . . .
C11 C 0.6518(6) 1.0442(5) 0.1419(4) 0.0374(15) Uani 1 1 d . . .
H11A H 0.7151 1.0483 0.1127 0.045 Uiso 1 1 calc R . .
H11B H 0.5968 1.0731 0.1150 0.045 Uiso 1 1 calc R . .
C12 C 0.7206(7) 1.1132(5) 0.2299(4) 0.0434(16) Uani 1 1 d . . .
H12A H 0.6629 1.1362 0.2514 0.052 Uiso 1 1 calc R . .
H12B H 0.7970 1.1808 0.2319 0.052 Uiso 1 1 calc R . .
C21 C 0.9482(7) 1.1146(6) 0.3297(4) 0.0436(17) Uani 1 1 d . . .
C22 C 1.0077(8) 1.2293(6) 0.3605(4) 0.055(2) Uani 1 1 d . . .
H22 H 0.9573 1.2667 0.3615 0.066 Uiso 1 1 calc R . .
C23 C 1.1394(10) 1.2887(8) 0.3896(6) 0.080(3) Uani 1 1 d . . .
H23 H 1.1786 1.3666 0.4103 0.096 Uiso 1 1 calc R . .
C24 C 1.1578(8) 1.1229(8) 0.3579(5) 0.064(2) Uani 1 1 d . . .
H24 H 1.2088 1.0860 0.3568 0.077 Uiso 1 1 calc R . .
C25 C 1.2151(9) 1.2349(9) 0.3888(5) 0.076(3) Uani 1 1 d . . .
H25 H 1.3054 1.2757 0.4093 0.091 Uiso 1 1 calc R . .
C26 C 1.0248(7) 1.0622(6) 0.3280(4) 0.0441(17) Uani 1 1 d . . .
H26 H 0.9864 0.9846 0.3064 0.053 Uiso 1 1 calc R . .
C31 C 0.7371(7) 1.0732(6) 0.3898(4) 0.0403(16) Uani 1 1 d . . .
C32 C 0.6252(7) 1.0819(6) 0.3910(4) 0.0494(18) Uani 1 1 d . . .
H32 H 0.5680 1.0741 0.3423 0.059 Uiso 1 1 calc R . .
C33 C 0.5981(9) 1.1019(7) 0.4628(5) 0.062(2) Uani 1 1 d . . .
H33 H 0.5224 1.1081 0.4625 0.074 Uiso 1 1 calc R . .
C34 C 0.6784(9) 1.1130(8) 0.5345(5) 0.072(3) Uani 1 1 d . . .
H34 H 0.6589 1.1277 0.5832 0.087 Uiso 1 1 calc R . .
C35 C 0.7877(9) 1.1025(8) 0.5351(5) 0.070(3) Uani 1 1 d . . .
H35 H 0.8424 1.1079 0.5840 0.084 Uiso 1 1 calc R . .
C36 C 0.8174(8) 1.0838(7) 0.4631(4) 0.0531(19) Uani 1 1 d . . .
H36 H 0.8935 1.0781 0.4641 0.064 Uiso 1 1 calc R . .
C41 C 0.4086(6) 0.9050(6) 0.1588(4) 0.0353(14) Uani 1 1 d . . .
C42 C 0.3350(8) 0.9336(7) 0.1029(5) 0.056(2) Uani 1 1 d . . .
H42 H 0.3580 0.9468 0.0556 0.067 Uiso 1 1 calc R . .
C43 C 0.2283(8) 0.9431(8) 0.1160(5) 0.061(2) Uani 1 1 d . . .
H43 H 0.1810 0.9642 0.0784 0.073 Uiso 1 1 calc R . .
C44 C 0.1925(8) 0.9217(8) 0.1830(5) 0.063(2) Uani 1 1 d . . .
H44 H 0.1193 0.9268 0.1911 0.076 Uiso 1 1 calc R . .
C45 C 0.2618(8) 0.8929(8) 0.2390(5) 0.067(3) Uani 1 1 d . . .
H45 H 0.2363 0.8785 0.2853 0.080 Uiso 1 1 calc R . .
C46 C 0.3704(7) 0.8849(6) 0.2272(4) 0.0451(17) Uani 1 1 d . . .
H46 H 0.4181 0.8656 0.2661 0.054 Uiso 1 1 calc R . .
C51 C 0.4884(7) 0.8180(6) 0.0359(4) 0.0417(16) Uani 1 1 d . . .
C52 C 0.5647(7) 0.8351(7) -0.0157(4) 0.0461(18) Uani 1 1 d . . .
H52 H 0.6493 0.8941 0.0030 0.055 Uiso 1 1 calc R . .
C53 C 0.5209(9) 0.7685(8) -0.0937(5) 0.068(3) Uani 1 1 d . . .
H53 H 0.5748 0.7827 -0.1276 0.081 Uiso 1 1 calc R . .
C54 C 0.3982(9) 0.6815(8) -0.1215(5) 0.071(3) Uani 1 1 d . . .
H54 H 0.3674 0.6365 -0.1749 0.085 Uiso 1 1 calc R . .
C55 C 0.3202(9) 0.6601(8) -0.0715(5) 0.074(3) Uani 1 1 d . . .
H55 H 0.2370 0.5992 -0.0896 0.088 Uiso 1 1 calc R . .
C56 C 0.3659(8) 0.7291(7) 0.0057(4) 0.058(2) Uani 1 1 d . . .
H56 H 0.3114 0.7151 0.0393 0.070 Uiso 1 1 calc R . .
C60 C 0.6089(8) 0.6679(6) 0.1917(4) 0.0456(17) Uani 1 1 d . . .
C61 C 0.5246(7) 0.6869(5) 0.2345(4) 0.0404(16) Uani 1 1 d . . .
C62 C 0.6028(7) 0.7522(5) 0.3157(4) 0.0375(15) Uani 1 1 d . . .
C63 C 0.7317(7) 0.7696(6) 0.3225(4) 0.0397(16) Uani 1 1 d . . .
C64 C 0.7356(7) 0.7187(6) 0.2476(4) 0.0412(16) Uani 1 1 d . . .
C65 C 0.5661(9) 0.5962(6) 0.1068(5) 0.065(2) Uani 1 1 d . . .
H65A H 0.6400 0.6139 0.0860 0.098 Uiso 1 1 calc R . .
H65B H 0.5028 0.6101 0.0726 0.098 Uiso 1 1 calc R . .
H65C H 0.5280 0.5183 0.1069 0.098 Uiso 1 1 calc R . .
C66 C 0.3811(7) 0.6320(6) 0.2028(5) 0.060(2) Uani 1 1 d . . .
H66A H 0.3454 0.5585 0.2121 0.090 Uiso 1 1 calc R . .
H66B H 0.3560 0.6251 0.1451 0.090 Uiso 1 1 calc R . .
H66C H 0.3484 0.6766 0.2305 0.090 Uiso 1 1 calc R . .
C67 C 0.5512(8) 0.7781(7) 0.3837(4) 0.057(2) Uani 1 1 d . . .
H67A H 0.5590 0.7349 0.4216 0.085 Uiso 1 1 calc R . .
H67B H 0.4612 0.7592 0.3620 0.085 Uiso 1 1 calc R . .
H67C H 0.6002 0.8569 0.4113 0.085 Uiso 1 1 calc R . .
C68 C 0.8386(8) 0.8187(7) 0.4007(5) 0.065(2) Uani 1 1 d . . .
H68A H 0.8266 0.7633 0.4311 0.098 Uiso 1 1 calc R . .
H68B H 0.8374 0.8828 0.4323 0.098 Uiso 1 1 calc R . .
H68C H 0.9208 0.8417 0.3892 0.098 Uiso 1 1 calc R . .
C69 C 0.8517(9) 0.7100(8) 0.2291(6) 0.072(3) Uani 1 1 d . . .
H69A H 0.9305 0.7754 0.2621 0.107 Uiso 1 1 calc R . .
H69B H 0.8451 0.7054 0.1723 0.107 Uiso 1 1 calc R . .
H69C H 0.8533 0.6437 0.2412 0.107 Uiso 1 1 calc R . .
C71A C 0.5963(15) 0.4342(14) 0.4583(7) 0.103(7) Uiso 0.55 1 d PG A 1
H71A H 0.6367 0.4552 0.5143 0.123 Uiso 0.55 1 calc PR A 1
C72A C 0.5805(17) 0.3360(13) 0.4100(10) 0.12(2) Uiso 0.55 1 d PG A 1
H72A H 0.6102 0.2906 0.4334 0.142 Uiso 0.55 1 calc PR A 1
C73A C 0.5209(16) 0.3049(10) 0.3272(9) 0.103(7) Uiso 0.55 1 d PG A 1
H73A H 0.5102 0.2385 0.2946 0.124 Uiso 0.55 1 calc PR A 1
C74A C 0.4770(13) 0.3719(12) 0.2926(6) 0.073(5) Uiso 0.55 1 d PG A 1
H74A H 0.4367 0.3509 0.2366 0.088 Uiso 0.55 1 calc PR A 1
C75A C 0.4928(14) 0.4701(11) 0.3409(8) 0.092(6) Uiso 0.55 1 d PG A 1
H75A H 0.4632 0.5155 0.3175 0.110 Uiso 0.55 1 calc PR A 1
C76A C 0.5525(15) 0.5012(11) 0.4237(8) 0.120(8) Uiso 0.55 1 d PG A 1
H76A H 0.5632 0.5676 0.4564 0.144 Uiso 0.55 1 calc PR A 1
C71B C 0.6365(18) 0.4560(17) 0.4120(11) 0.144(12) Uiso 0.45 1 d PG B 2
H71B H 0.7077 0.5088 0.4554 0.173 Uiso 0.45 1 calc PR B 2
C72B C 0.593(2) 0.3428(19) 0.4051(11) 0.13(3) Uiso 0.45 1 d PG B 2
H72B H 0.6349 0.3191 0.4438 0.150 Uiso 0.45 1 calc PR B 2
C73B C 0.488(2) 0.2648(13) 0.3409(13) 0.112(10) Uiso 0.45 1 d PG B 2
H73B H 0.4583 0.1882 0.3362 0.134 Uiso 0.45 1 calc PR B 2
C74B C 0.4257(16) 0.2999(15) 0.2836(11) 0.105(8) Uiso 0.45 1 d PG B 2
H74B H 0.3544 0.2471 0.2402 0.126 Uiso 0.45 1 calc PR B 2
C75B C 0.4691(19) 0.4130(17) 0.2906(11) 0.120(11) Uiso 0.45 1 d PG B 2
H75B H 0.4272 0.4367 0.2519 0.144 Uiso 0.45 1 calc PR B 2
C76B C 0.575(2) 0.4911(13) 0.3548(13) 0.109(9) Uiso 0.45 1 d PG B 2
H76B H 0.6039 0.5676 0.3595 0.131 Uiso 0.45 1 calc PR B 2
C81 C 0.9215(15) 0.3980(13) 0.5727(10) 0.141(5) Uiso 1 1 d D C 1
H81 H 0.8778 0.3476 0.5211 0.169 Uiso 1 1 calc R C 1
C82 C 0.8542(15) 0.4098(12) 0.6241(8) 0.133(5) Uiso 1 1 d D C 1
H82 H 0.7640 0.3668 0.6079 0.159 Uiso 1 1 calc R C 1
C83 C 0.9142(13) 0.4822(11) 0.6984(8) 0.120(4) Uiso 1 1 d D C 1
H83 H 0.8669 0.4898 0.7340 0.144 Uiso 1 1 calc R C 1
C84 C 1.0446(14) 0.5438(12) 0.7203(9) 0.132(5) Uiso 1 1 d D C 1
H84 H 1.0882 0.5944 0.7719 0.158 Uiso 1 1 calc R C 1
C85 C 1.1124(16) 0.5332(13) 0.6688(9) 0.136(5) Uiso 1 1 d D C 1
H85 H 1.2023 0.5778 0.6842 0.163 Uiso 1 1 calc R C 1
C86 C 1.0513(16) 0.4584(13) 0.5952(10) 0.162(6) Uiso 1 1 d D C 1
H86 H 1.0986 0.4486 0.5603 0.195 Uiso 1 1 calc R C 1
C91 C 0.9604(14) 0.4329(11) 0.9214(9) 0.124(4) Uiso 1 1 d D . 1
H91 H 0.9337 0.3871 0.8687 0.149 Uiso 1 1 calc R . 1
C92 C 0.9707(13) 0.5372(11) 0.9355(8) 0.118(4) Uiso 1 1 d D D 1
H92 H 0.9508 0.5647 0.8915 0.141 Uiso 1 1 calc R D 1
C93 C 1.0089(12) 0.6016(11) 1.0114(8) 0.110(4) Uiso 1 1 d D . 1
H93 H 1.0148 0.6732 1.0187 0.132 Uiso 1 1 calc R . 1
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'
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
C1 Ru1 C60 100.4(2) . .
C1 Ru1 C64 91.1(2) . .
C60 Ru1 C64 37.2(3) . .
C1 Ru1 C61 136.5(2) . .
C60 Ru1 C61 37.6(3) . .
C64 Ru1 C61 62.0(3) . .
C1 Ru1 C62 151.8(2) . .
C60 Ru1 C62 62.3(2) . .
C64 Ru1 C62 61.5(2) . .
C61 Ru1 C62 37.2(2) . .
C1 Ru1 P1 84.37(17) . .
C60 Ru1 P1 166.05(18) . .
C64 Ru1 P1 130.4(2) . .
C61 Ru1 P1 139.13(18) . .
C62 Ru1 P1 107.88(17) . .
C1 Ru1 P2 82.74(17) . .
C60 Ru1 P2 110.37(19) . .
C64 Ru1 P2 145.27(19) . .
C61 Ru1 P2 100.17(18) . .
C62 Ru1 P2 123.11(18) . .
P1 Ru1 P2 83.12(6) . .
C1 Ru1 C63 116.3(2) . .
C60 Ru1 C63 61.5(3) . .
C64 Ru1 C63 36.2(2) . .
C61 Ru1 C63 61.6(3) . .
C62 Ru1 C63 36.8(2) . .
P1 Ru1 C63 104.62(18) . .
P2 Ru1 C63 159.74(19) . .
C31 P1 C21 98.4(3) . .
C31 P1 C12 104.0(3) . .
C21 P1 C12 103.8(3) . .
C31 P1 Ru1 118.0(2) . .
C21 P1 Ru1 119.6(2) . .
C12 P1 Ru1 110.9(2) . .
C51 P2 C41 100.2(3) . .
C51 P2 C11 106.0(3) . .
C41 P2 C11 100.7(3) . .
C51 P2 Ru1 117.5(2) . .
C41 P2 Ru1 122.4(2) . .
C11 P2 Ru1 107.9(2) . .
C2 C1 Ru1 178.5(5) . .
C1 C2 C3 172.8(6) . .
C2 C3 C9 120.7(6) . 2_775
C2 C3 C4 120.8(5) . .
C9 C3 C4 118.5(5) 2_775 .
C3 C4 C9 120.7(5) . .
C3 C4 C5 120.6(5) . .
C9 C4 C5 118.7(6) . .
C6 C5 C4 120.8(6) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C5 C6 C7 120.1(7) . .
C5 C6 H6 119.9 . .
C7 C6 H6 119.9 . .
C8 C7 C6 121.2(7) . .
C8 C7 H7 119.4 . .
C6 C7 H7 119.4 . .
C7 C8 C9 121.4(6) . .
C7 C8 H8 119.3 . .
C9 C8 H8 119.3 . .
C3 C9 C8 121.6(6) 2_775 .
C3 C9 C4 120.8(6) 2_775 .
C8 C9 C4 117.7(6) . .
C12 C11 P2 108.1(4) . .
C12 C11 H11A 110.1 . .
P2 C11 H11A 110.1 . .
C12 C11 H11B 110.1 . .
P2 C11 H11B 110.1 . .
H11A C11 H11B 108.4 . .
C11 C12 P1 111.9(4) . .
C11 C12 H12A 109.2 . .
P1 C12 H12A 109.2 . .
C11 C12 H12B 109.2 . .
P1 C12 H12B 109.2 . .
H12A C12 H12B 107.9 . .
C26 C21 C22 118.4(7) . .
C26 C21 P1 121.2(5) . .
C22 C21 P1 120.4(6) . .
C23 C22 C21 120.6(8) . .
C23 C22 H22 119.7 . .
C21 C22 H22 119.7 . .
C22 C23 C25 120.4(9) . .
C22 C23 H23 119.8 . .
C25 C23 H23 119.8 . .
C25 C24 C26 120.6(9) . .
C25 C24 H24 119.7 . .
C26 C24 H24 119.7 . .
C24 C25 C23 119.4(9) . .
C24 C25 H25 120.3 . .
C23 C25 H25 120.3 . .
C21 C26 C24 120.6(7) . .
C21 C26 H26 119.7 . .
C24 C26 H26 119.7 . .
C36 C31 C32 117.6(6) . .
C36 C31 P1 120.3(5) . .
C32 C31 P1 121.9(5) . .
C33 C32 C31 120.4(7) . .
C33 C32 H32 119.8 . .
C31 C32 H32 119.8 . .
C34 C33 C32 121.4(8) . .
C34 C33 H33 119.3 . .
C32 C33 H33 119.3 . .
C33 C34 C35 119.5(7) . .
C33 C34 H34 120.2 . .
C35 C34 H34 120.2 . .
C34 C35 C36 119.8(8) . .
C34 C35 H35 120.1 . .
C36 C35 H35 120.1 . .
C35 C36 C31 121.3(7) . .
C35 C36 H36 119.3 . .
C31 C36 H36 119.3 . .
C46 C41 C42 117.7(6) . .
C46 C41 P2 122.3(5) . .
C42 C41 P2 120.0(5) . .
C43 C42 C41 121.0(6) . .
C43 C42 H42 119.5 . .
C41 C42 H42 119.5 . .
C44 C43 C42 120.0(7) . .
C44 C43 H43 120.0 . .
C42 C43 H43 120.0 . .
C43 C44 C45 120.6(7) . .
C43 C44 H44 119.7 . .
C45 C44 H44 119.7 . .
C44 C45 C46 120.0(7) . .
C44 C45 H45 120.0 . .
C46 C45 H45 120.0 . .
C41 C46 C45 120.6(6) . .
C41 C46 H46 119.7 . .
C45 C46 H46 119.7 . .
C52 C51 C56 116.5(7) . .
C52 C51 P2 121.4(6) . .
C56 C51 P2 121.8(5) . .
C53 C52 C51 122.1(8) . .
C53 C52 H52 119.0 . .
C51 C52 H52 119.0 . .
C54 C53 C52 119.7(8) . .
C54 C53 H53 120.2 . .
C52 C53 H53 120.2 . .
C53 C54 C55 120.0(8) . .
C53 C54 H54 120.0 . .
C55 C54 H54 120.0 . .
C54 C55 C56 119.0(9) . .
C54 C55 H55 120.5 . .
C56 C55 H55 120.5 . .
C55 C56 C51 122.7(8) . .
C55 C56 H56 118.6 . .
C51 C56 H56 118.6 . .
C64 C60 C61 107.7(6) . .
C64 C60 C65 126.7(7) . .
C61 C60 C65 125.3(7) . .
C64 C60 Ru1 72.3(4) . .
C61 C60 Ru1 72.1(4) . .
C65 C60 Ru1 126.4(5) . .
C62 C61 C60 107.1(6) . .
C62 C61 C66 127.3(6) . .
C60 C61 C66 124.9(7) . .
C62 C61 Ru1 71.5(4) . .
C60 C61 Ru1 70.3(4) . .
C66 C61 Ru1 131.0(5) . .
C63 C62 C61 107.7(6) . .
C63 C62 C67 126.6(6) . .
C61 C62 C67 124.8(7) . .
C63 C62 Ru1 72.0(3) . .
C61 C62 Ru1 71.3(3) . .
C67 C62 Ru1 130.5(5) . .
C64 C63 C62 108.9(6) . .
C64 C63 C68 126.0(7) . .
C62 C63 C68 124.5(6) . .
C64 C63 Ru1 71.4(3) . .
C62 C63 Ru1 71.2(3) . .
C68 C63 Ru1 130.6(5) . .
C63 C64 C60 108.5(6) . .
C63 C64 C69 126.5(7) . .
C60 C64 C69 124.8(7) . .
C63 C64 Ru1 72.5(3) . .
C60 C64 Ru1 70.6(4) . .
C69 C64 Ru1 126.4(5) . .
C60 C65 H65A 109.5 . .
C60 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C60 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C61 C66 H66A 109.5 . .
C61 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C61 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C62 C67 H67A 109.5 . .
C62 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C62 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
C63 C68 H68A 109.5 . .
C63 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C63 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C64 C69 H69A 109.5 . .
C64 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C64 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C72A C71A C76A 120.0 . .
C72A C71A H71A 120.0 . .
C76A C71A H71A 120.0 . .
C73A C72A C71A 120.0 . .
C73A C72A H72A 120.0 . .
C71A C72A H72A 120.0 . .
C72A C73A C74A 120.0 . .
C72A C73A H73A 120.0 . .
C74A C73A H73A 120.0 . .
C73A C74A C75A 120.0 . .
C73A C74A H74A 120.0 . .
C75A C74A H74A 120.0 . .
C76A C75A C74A 120.0 . .
C76A C75A H75A 120.0 . .
C74A C75A H75A 120.0 . .
C75A C76A C71A 120.0 . .
C75A C76A H76A 120.0 . .
C71A C76A H76A 120.0 . .
C72B C71B C76B 120.0 . .
C72B C71B H71B 120.0 . .
C76B C71B H71B 120.0 . .
C71B C72B C73B 120.0 . .
C71B C72B H72B 120.0 . .
C73B C72B H72B 120.0 . .
C74B C73B C72B 120.0 . .
C74B C73B H73B 120.0 . .
C72B C73B H73B 120.0 . .
C73B C74B C75B 120.0 . .
C73B C74B H74B 120.0 . .
C75B C74B H74B 120.0 . .
C76B C75B C74B 120.0 . .
C76B C75B H75B 120.0 . .
C74B C75B H75B 120.0 . .
C75B C76B C71B 120.0 . .
C75B C76B H76B 120.0 . .
C71B C76B H76B 120.0 . .
C82 C81 C86 120.2(17) . .
C82 C81 H81 119.9 . .
C86 C81 H81 119.9 . .
C83 C82 C81 121.3(16) . .
C83 C82 H82 119.4 . .
C81 C82 H82 119.4 . .
C82 C83 C84 118.3(15) . .
C82 C83 H83 120.9 . .
C84 C83 H83 120.9 . .
C85 C84 C83 120.8(15) . .
C85 C84 H84 119.6 . .
C83 C84 H84 119.6 . .
C84 C85 C86 120.3(17) . .
C84 C85 H85 119.9 . .
C86 C85 H85 119.9 . .
C81 C86 C85 119.2(17) . .
C81 C86 H86 120.4 . .
C85 C86 H86 120.4 . .
C92 C91 C93 116.2(13) . 2_767
C92 C91 H91 121.9 . .
C93 C91 H91 121.9 2_767 .
C93 C92 C91 121.2(14) . .
C93 C92 H92 119.4 . .
C91 C92 H92 119.4 . .
C92 C93 C91 122.6(12) . 2_767
C92 C93 H93 118.7 . .
C91 C93 H93 118.7 2_767 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1 2.017(6) .
Ru1 C60 2.234(7) .
Ru1 C64 2.256(6) .
Ru1 C61 2.257(7) .
Ru1 C62 2.259(6) .
Ru1 P1 2.2597(17) .
Ru1 P2 2.2602(16) .
Ru1 C63 2.270(6) .
P1 C31 1.842(6) .
P1 C21 1.849(7) .
P1 C12 1.855(7) .
P2 C51 1.828(7) .
P2 C41 1.837(6) .
P2 C11 1.842(7) .
C1 C2 1.228(8) .
C2 C3 1.416(8) .
C3 C9 1.419(8) 2_775
C3 C4 1.424(9) .
C4 C9 1.426(8) .
C4 C5 1.431(8) .
C5 C6 1.360(10) .
C5 H5 0.9400 .
C6 C7 1.393(10) .
C6 H6 0.9400 .
C7 C8 1.348(9) .
C7 H7 0.9400 .
C8 C9 1.426(9) .
C8 H8 0.9400 .
C9 C3 1.419(8) 2_775
C11 C12 1.529(9) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C21 C26 1.379(10) .
C21 C22 1.386(10) .
C22 C23 1.370(12) .
C22 H22 0.9400 .
C23 C25 1.386(14) .
C23 H23 0.9400 .
C24 C25 1.354(13) .
C24 C26 1.385(10) .
C24 H24 0.9400 .
C25 H25 0.9400 .
C26 H26 0.9400 .
C31 C36 1.387(10) .
C31 C32 1.392(10) .
C32 C33 1.371(10) .
C32 H32 0.9400 .
C33 C34 1.364(12) .
C33 H33 0.9400 .
C34 C35 1.368(12) .
C34 H34 0.9400 .
C35 C36 1.386(10) .
C35 H35 0.9400 .
C36 H36 0.9400 .
C41 C46 1.386(9) .
C41 C42 1.395(9) .
C42 C43 1.390(10) .
C42 H42 0.9400 .
C43 C44 1.356(11) .
C43 H43 0.9400 .
C44 C45 1.367(11) .
C44 H44 0.9400 .
C45 C46 1.396(10) .
C45 H45 0.9400 .
C46 H46 0.9400 .
C51 C52 1.380(9) .
C51 C56 1.381(10) .
C52 C53 1.378(10) .
C52 H52 0.9400 .
C53 C54 1.372(12) .
C53 H53 0.9400 .
C54 C55 1.374(12) .
C54 H54 0.9400 .
C55 C56 1.377(10) .
C55 H55 0.9400 .
C56 H56 0.9400 .
C60 C64 1.432(10) .
C60 C61 1.446(10) .
C60 C65 1.504(9) .
C61 C62 1.441(9) .
C61 C66 1.492(10) .
C62 C63 1.431(9) .
C62 C67 1.501(9) .
C63 C64 1.405(9) .
C63 C68 1.502(10) .
C64 C69 1.530(10) .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C65 H65C 0.9700 .
C66 H66A 0.9700 .
C66 H66B 0.9700 .
C66 H66C 0.9700 .
C67 H67A 0.9700 .
C67 H67B 0.9700 .
C67 H67C 0.9700 .
C68 H68A 0.9700 .
C68 H68B 0.9700 .
C68 H68C 0.9700 .
C69 H69A 0.9700 .
C69 H69B 0.9700 .
C69 H69C 0.9700 .
C71A C72A 1.3900 .
C71A C76A 1.3900 .
C71A H71A 0.9400 .
C72A C73A 1.3900 .
C72A H72A 0.9400 .
C73A C74A 1.3900 .
C73A H73A 0.9400 .
C74A C75A 1.3900 .
C74A H74A 0.9400 .
C75A C76A 1.3900 .
C75A H75A 0.9400 .
C76A H76A 0.9400 .
C71B C72B 1.3900 .
C71B C76B 1.3900 .
C71B H71B 0.9400 .
C72B C73B 1.3900 .
C72B H72B 0.9400 .
C73B C74B 1.3900 .
C73B H73B 0.9400 .
C74B C75B 1.3900 .
C74B H74B 0.9400 .
C75B C76B 1.3900 .
C75B H75B 0.9400 .
C76B H76B 0.9400 .
C81 C82 1.351(12) .
C81 C86 1.352(12) .
C81 H81 0.9400 .
C82 C83 1.350(11) .
C82 H82 0.9400 .
C83 C84 1.359(12) .
C83 H83 0.9400 .
C84 C85 1.352(11) .
C84 H84 0.9400 .
C85 C86 1.354(12) .
C85 H85 0.9400 .
C86 H86 0.9400 .
C91 C92 1.360(11) .
C91 C93 1.372(16) 2_767
C91 H91 0.9400 .
C92 C93 1.345(11) .
C92 H92 0.9400 .
C93 C91 1.372(16) 2_767
C93 H93 0.9400 .
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
C1 Ru1 P1 C31 -169.6(3) . .
C60 Ru1 P1 C31 -58.7(9) . .
C64 Ru1 P1 C31 -82.9(4) . .
C61 Ru1 P1 C31 9.5(4) . .
C62 Ru1 P1 C31 -15.6(3) . .
P2 Ru1 P1 C31 107.1(3) . .
C63 Ru1 P1 C31 -53.9(3) . .
C1 Ru1 P1 C21 -50.1(3) . .
C60 Ru1 P1 C21 60.8(9) . .
C64 Ru1 P1 C21 36.5(3) . .
C61 Ru1 P1 C21 128.9(4) . .
C62 Ru1 P1 C21 103.9(3) . .
P2 Ru1 P1 C21 -133.5(3) . .
C63 Ru1 P1 C21 65.6(3) . .
C1 Ru1 P1 C12 70.6(3) . .
C60 Ru1 P1 C12 -178.5(9) . .
C64 Ru1 P1 C12 157.2(3) . .
C61 Ru1 P1 C12 -110.4(4) . .
C62 Ru1 P1 C12 -135.4(3) . .
P2 Ru1 P1 C12 -12.8(3) . .
C63 Ru1 P1 C12 -173.7(3) . .
C1 Ru1 P2 C51 65.5(3) . .
C60 Ru1 P2 C51 -33.0(3) . .
C64 Ru1 P2 C51 -15.9(4) . .
C61 Ru1 P2 C51 -70.6(3) . .
C62 Ru1 P2 C51 -102.5(3) . .
P1 Ru1 P2 C51 150.6(3) . .
C63 Ru1 P2 C51 -95.3(6) . .
C1 Ru1 P2 C41 -170.0(3) . .
C60 Ru1 P2 C41 91.5(3) . .
C64 Ru1 P2 C41 108.6(4) . .
C61 Ru1 P2 C41 53.9(3) . .
C62 Ru1 P2 C41 22.0(3) . .
P1 Ru1 P2 C41 -84.9(3) . .
C63 Ru1 P2 C41 29.2(6) . .
C1 Ru1 P2 C11 -54.2(3) . .
C60 Ru1 P2 C11 -152.6(3) . .
C64 Ru1 P2 C11 -135.6(4) . .
C61 Ru1 P2 C11 169.8(3) . .
C62 Ru1 P2 C11 137.9(3) . .
P1 Ru1 P2 C11 31.0(2) . .
C63 Ru1 P2 C11 145.1(5) . .
C60 Ru1 C1 C2 87(21) . .
C64 Ru1 C1 C2 123(21) . .
C61 Ru1 C1 C2 75(21) . .
C62 Ru1 C1 C2 136(21) . .
P1 Ru1 C1 C2 -106(21) . .
P2 Ru1 C1 C2 -22(21) . .
C63 Ru1 C1 C2 150(21) . .
Ru1 C1 C2 C3 -2(25) . .
C1 C2 C3 C9 -65(5) . 2_775
C1 C2 C3 C4 113(5) . .
C2 C3 C4 C9 -178.4(5) . .
C9 C3 C4 C9 0.0(9) 2_775 .
C2 C3 C4 C5 2.6(9) . .
C9 C3 C4 C5 -179.1(6) 2_775 .
C3 C4 C5 C6 179.5(7) . .
C9 C4 C5 C6 0.4(10) . .
C4 C5 C6 C7 0.1(12) . .
C5 C6 C7 C8 -0.5(13) . .
C6 C7 C8 C9 0.4(12) . .
C7 C8 C9 C3 -179.5(7) . 2_775
C7 C8 C9 C4 0.1(10) . .
C3 C4 C9 C3 0.0(9) . 2_775
C5 C4 C9 C3 179.1(6) . 2_775
C3 C4 C9 C8 -179.6(6) . .
C5 C4 C9 C8 -0.5(9) . .
C51 P2 C11 C12 -173.6(5) . .
C41 P2 C11 C12 82.4(5) . .
Ru1 P2 C11 C12 -46.9(5) . .
P2 C11 C12 P1 36.6(6) . .
C31 P1 C12 C11 -140.1(5) . .
C21 P1 C12 C11 117.4(5) . .
Ru1 P1 C12 C11 -12.2(6) . .
C31 P1 C21 C26 118.9(6) . .
C12 P1 C21 C26 -134.3(6) . .
Ru1 P1 C21 C26 -10.1(6) . .
C31 P1 C21 C22 -59.4(6) . .
C12 P1 C21 C22 47.4(6) . .
Ru1 P1 C21 C22 171.6(5) . .
C26 C21 C22 C23 -0.9(11) . .
P1 C21 C22 C23 177.5(6) . .
C21 C22 C23 C25 -0.1(14) . .
C26 C24 C25 C23 -0.5(13) . .
C22 C23 C25 C24 0.8(14) . .
C22 C21 C26 C24 1.2(10) . .
P1 C21 C26 C24 -177.2(6) . .
C25 C24 C26 C21 -0.5(12) . .
C21 P1 C31 C36 -38.3(7) . .
C12 P1 C31 C36 -144.9(6) . .
Ru1 P1 C31 C36 91.8(6) . .
C21 P1 C31 C32 148.4(6) . .
C12 P1 C31 C32 41.8(7) . .
Ru1 P1 C31 C32 -81.6(6) . .
C36 C31 C32 C33 0.9(11) . .
P1 C31 C32 C33 174.5(6) . .
C31 C32 C33 C34 -0.5(13) . .
C32 C33 C34 C35 -0.9(15) . .
C33 C34 C35 C36 1.7(15) . .
C34 C35 C36 C31 -1.2(14) . .
C32 C31 C36 C35 -0.1(12) . .
P1 C31 C36 C35 -173.7(7) . .
C51 P2 C41 C46 134.4(6) . .
C11 P2 C41 C46 -117.0(6) . .
Ru1 P2 C41 C46 2.4(7) . .
C51 P2 C41 C42 -47.3(7) . .
C11 P2 C41 C42 61.3(7) . .
Ru1 P2 C41 C42 -179.3(5) . .
C46 C41 C42 C43 0.9(12) . .
P2 C41 C42 C43 -177.5(7) . .
C41 C42 C43 C44 -1.6(14) . .
C42 C43 C44 C45 1.2(15) . .
C43 C44 C45 C46 -0.2(14) . .
C42 C41 C46 C45 0.2(11) . .
P2 C41 C46 C45 178.5(6) . .
C44 C45 C46 C41 -0.5(13) . .
C41 P2 C51 C52 147.7(6) . .
C11 P2 C51 C52 43.4(7) . .
Ru1 P2 C51 C52 -77.3(6) . .
C41 P2 C51 C56 -39.5(7) . .
C11 P2 C51 C56 -143.9(6) . .
Ru1 P2 C51 C56 95.5(6) . .
C56 C51 C52 C53 1.1(11) . .
P2 C51 C52 C53 174.2(6) . .
C51 C52 C53 C54 -0.6(12) . .
C52 C53 C54 C55 -0.9(14) . .
C53 C54 C55 C56 1.9(15) . .
C54 C55 C56 C51 -1.5(14) . .
C52 C51 C56 C55 0.0(12) . .
P2 C51 C56 C55 -173.1(7) . .
C1 Ru1 C60 C64 77.9(4) . .
C61 Ru1 C60 C64 -116.1(6) . .
C62 Ru1 C60 C64 -78.5(4) . .
P1 Ru1 C60 C64 -31.2(11) . .
P2 Ru1 C60 C64 163.9(3) . .
C63 Ru1 C60 C64 -36.5(4) . .
C1 Ru1 C60 C61 -166.1(4) . .
C64 Ru1 C60 C61 116.1(6) . .
C62 Ru1 C60 C61 37.6(4) . .
P1 Ru1 C60 C61 84.9(9) . .
P2 Ru1 C60 C61 -80.0(4) . .
C63 Ru1 C60 C61 79.6(4) . .
C1 Ru1 C60 C65 -45.0(7) . .
C64 Ru1 C60 C65 -122.9(9) . .
C61 Ru1 C60 C65 121.0(9) . .
C62 Ru1 C60 C65 158.6(8) . .
P1 Ru1 C60 C65 -154.1(6) . .
P2 Ru1 C60 C65 41.0(7) . .
C63 Ru1 C60 C65 -159.4(8) . .
C64 C60 C61 C62 1.5(7) . .
C65 C60 C61 C62 175.2(6) . .
Ru1 C60 C61 C62 -62.4(4) . .
C64 C60 C61 C66 -169.2(6) . .
C65 C60 C61 C66 4.5(11) . .
Ru1 C60 C61 C66 126.9(7) . .
C64 C60 C61 Ru1 63.9(5) . .
C65 C60 C61 Ru1 -122.4(7) . .
C1 Ru1 C61 C62 136.9(4) . .
C60 Ru1 C61 C62 116.7(6) . .
C64 Ru1 C61 C62 78.8(4) . .
P1 Ru1 C61 C62 -41.7(5) . .
P2 Ru1 C61 C62 -133.0(4) . .
C63 Ru1 C61 C62 37.6(4) . .
C1 Ru1 C61 C60 20.1(6) . .
C64 Ru1 C61 C60 -37.9(4) . .
C62 Ru1 C61 C60 -116.7(6) . .
P1 Ru1 C61 C60 -158.5(3) . .
P2 Ru1 C61 C60 110.3(4) . .
C63 Ru1 C61 C60 -79.2(4) . .
C1 Ru1 C61 C66 -99.4(7) . .
C60 Ru1 C61 C66 -119.6(8) . .
C64 Ru1 C61 C66 -157.5(8) . .
C62 Ru1 C61 C66 123.7(8) . .
P1 Ru1 C61 C66 81.9(7) . .
P2 Ru1 C61 C66 -9.3(7) . .
C63 Ru1 C61 C66 161.2(8) . .
C60 C61 C62 C63 -1.6(7) . .
C66 C61 C62 C63 168.8(7) . .
Ru1 C61 C62 C63 -63.2(4) . .
C60 C61 C62 C67 -171.5(6) . .
C66 C61 C62 C67 -1.1(11) . .
Ru1 C61 C62 C67 126.9(6) . .
C60 C61 C62 Ru1 61.6(4) . .
C66 C61 C62 Ru1 -127.9(7) . .
C1 Ru1 C62 C63 21.9(7) . .
C60 Ru1 C62 C63 78.6(4) . .
C64 Ru1 C62 C63 36.2(4) . .
C61 Ru1 C62 C63 116.6(6) . .
P1 Ru1 C62 C63 -90.7(4) . .
P2 Ru1 C62 C63 175.9(3) . .
C1 Ru1 C62 C61 -94.6(6) . .
C60 Ru1 C62 C61 -38.0(4) . .
C64 Ru1 C62 C61 -80.3(4) . .
P1 Ru1 C62 C61 152.8(3) . .
P2 Ru1 C62 C61 59.3(4) . .
C63 Ru1 C62 C61 -116.6(6) . .
C1 Ru1 C62 C67 145.1(7) . .
C60 Ru1 C62 C67 -158.2(8) . .
C64 Ru1 C62 C67 159.4(8) . .
C61 Ru1 C62 C67 -120.2(8) . .
P1 Ru1 C62 C67 32.5(7) . .
P2 Ru1 C62 C67 -60.9(7) . .
C63 Ru1 C62 C67 123.2(8) . .
C61 C62 C63 C64 1.1(7) . .
C67 C62 C63 C64 170.7(6) . .
Ru1 C62 C63 C64 -61.7(5) . .
C61 C62 C63 C68 -170.3(6) . .
C67 C62 C63 C68 -0.7(11) . .
Ru1 C62 C63 C68 126.8(7) . .
C61 C62 C63 Ru1 62.8(4) . .
C67 C62 C63 Ru1 -127.5(7) . .
C1 Ru1 C63 C64 -50.3(5) . .
C60 Ru1 C63 C64 37.5(4) . .
C61 Ru1 C63 C64 80.5(5) . .
C62 Ru1 C63 C64 118.4(6) . .
P1 Ru1 C63 C64 -141.2(4) . .
P2 Ru1 C63 C64 108.4(5) . .
C1 Ru1 C63 C62 -168.7(4) . .
C60 Ru1 C63 C62 -80.9(4) . .
C64 Ru1 C63 C62 -118.4(6) . .
C61 Ru1 C63 C62 -37.9(4) . .
P1 Ru1 C63 C62 100.4(4) . .
P2 Ru1 C63 C62 -10.0(8) . .
C1 Ru1 C63 C68 71.6(7) . .
C60 Ru1 C63 C68 159.4(8) . .
C64 Ru1 C63 C68 121.9(9) . .
C61 Ru1 C63 C68 -157.6(8) . .
C62 Ru1 C63 C68 -119.7(8) . .
P1 Ru1 C63 C68 -19.3(7) . .
P2 Ru1 C63 C68 -129.7(7) . .
C62 C63 C64 C60 -0.1(7) . .
C68 C63 C64 C60 171.1(7) . .
Ru1 C63 C64 C60 -61.7(5) . .
C62 C63 C64 C69 -175.7(7) . .
C68 C63 C64 C69 -4.4(11) . .
Ru1 C63 C64 C69 122.7(7) . .
C62 C63 C64 Ru1 61.6(4) . .
C68 C63 C64 Ru1 -127.1(7) . .
C61 C60 C64 C63 -0.9(8) . .
C65 C60 C64 C63 -174.4(7) . .
Ru1 C60 C64 C63 62.9(5) . .
C61 C60 C64 C69 174.7(6) . .
C65 C60 C64 C69 1.2(11) . .
Ru1 C60 C64 C69 -121.4(7) . .
C61 C60 C64 Ru1 -63.8(5) . .
C65 C60 C64 Ru1 122.6(7) . .
C1 Ru1 C64 C63 136.4(4) . .
C60 Ru1 C64 C63 -117.7(6) . .
C61 Ru1 C64 C63 -79.4(4) . .
C62 Ru1 C64 C63 -36.9(4) . .
P1 Ru1 C64 C63 52.9(5) . .
P2 Ru1 C64 C63 -144.8(4) . .
C1 Ru1 C64 C60 -105.9(4) . .
C61 Ru1 C64 C60 38.3(4) . .
C62 Ru1 C64 C60 80.8(4) . .
P1 Ru1 C64 C60 170.6(3) . .
P2 Ru1 C64 C60 -27.1(6) . .
C63 Ru1 C64 C60 117.7(6) . .
C1 Ru1 C64 C69 13.6(7) . .
C60 Ru1 C64 C69 119.5(8) . .
C61 Ru1 C64 C69 157.8(8) . .
C62 Ru1 C64 C69 -159.7(8) . .
P1 Ru1 C64 C69 -69.9(7) . .
P2 Ru1 C64 C69 92.4(7) . .
C63 Ru1 C64 C69 -122.8(9) . .
C76A C71A C72A C73A 0.0 . .
C71A C72A C73A C74A 0.0 . .
C72A C73A C74A C75A 0.0 . .
C73A C74A C75A C76A 0.0 . .
C74A C75A C76A C71A 0.0 . .
C72A C71A C76A C75A 0.0 . .
C76B C71B C72B C73B 0.0 . .
C71B C72B C73B C74B 0.0 . .
C72B C73B C74B C75B 0.0 . .
C73B C74B C75B C76B 0.0 . .
C74B C75B C76B C71B 0.0 . .
C72B C71B C76B C75B 0.0 . .
C86 C81 C82 C83 1(3) . .
C81 C82 C83 C84 0(2) . .
C82 C83 C84 C85 0(2) . .
C83 C84 C85 C86 -2(3) . .
C82 C81 C86 C85 -2(3) . .
C84 C85 C86 C81 3(3) . .
C93 C91 C92 C93 0(2) 2_767 .
C91 C92 C93 C91 0(2) . 2_767
