#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:45:29 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178722 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/33/4083334.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_4083334
loop_
_publ_author_name
'Boone, Michael P.'
'Stephan, Douglas W.'
_publ_section_title
;
 Reactions of Ru-alkynyl Complexes with Electrophilic Boranes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              5537
_journal_paper_doi               10.1021/om200815s
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C71 H56 B F10 P2 Ru'
_chemical_formula_weight         1272.98
_chemical_name_systematic
; 
 ? 
;
_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                 107.048(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.0269(9)
_cell_length_b                   12.9666(5)
_cell_length_c                   21.5355(9)
_cell_measurement_temperature    150(2)
_cell_volume                     5880.6(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0384
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            129313
_diffrn_reflns_theta_full        30.69
_diffrn_reflns_theta_max         30.69
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    0.397
_exptl_absorpt_correction_T_max  0.9249
_exptl_absorpt_correction_T_min  0.8902
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2604
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.915
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     766
_refine_ls_number_reflns         17960
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0406
_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)+(0.0628P)²+6.5842P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1055
_refine_ls_wR_factor_ref         0.1213
_reflns_number_gt                13518
_reflns_number_total             17960
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            2-sad.cif
_cod_data_source_block           sad
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4083334
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
Ru1 Ru 0.270549(7) 0.747015(11) 0.036439(7) 0.01613(5) Uani 1 1 d .
P1 P 0.35287(2) 0.74272(4) 0.13168(2) 0.01663(9) Uani 1 1 d .
P2 P 0.18041(2) 0.76382(4) 0.06982(2) 0.01873(10) Uani 1 1 d .
F1 F 0.37818(8) 0.35828(15) 0.12816(8) 0.0530(4) Uani 1 1 d .
F2 F 0.39548(13) 0.28716(16) 0.24801(9) 0.0866(9) Uani 1 1 d .
F3 F 0.2945(2) 0.25916(15) 0.29460(10) 0.1048(11) Uani 1 1 d .
F4 F 0.17542(14) 0.30483(17) 0.21777(11) 0.0927(9) Uani 1 1 d .
F5 F 0.15753(8) 0.37581(14) 0.09610(9) 0.0505(4) Uani 1 1 d .
F6 F 0.36030(7) 0.29036(13) -0.00012(8) 0.0434(4) Uani 1 1 d .
F7 F 0.34645(8) 0.12853(13) -0.08106(8) 0.0487(4) Uani 1 1 d .
F8 F 0.22855(9) 0.05521(12) -0.14305(7) 0.0483(4) Uani 1 1 d .
F9 F 0.12522(9) 0.14184(16) -0.12011(10) 0.0636(5) Uani 1 1 d .
F10 F 0.13903(7) 0.30251(14) -0.03750(8) 0.0478(4) Uani 1 1 d .
B1 B 0.25835(10) 0.39922(17) 0.03256(10) 0.0192(4) Uani 1 1 d .
C1 C 0.26608(9) 0.59215(14) 0.04723(9) 0.0180(3) Uani 1 1 d .
H1A H 0.2675 0.5734 0.0903 0.022 Uiso 1 1 calc R
C2 C 0.26144(9) 0.50586(14) 0.00680(9) 0.0190(3) Uani 1 1 d .
C3 C 0.26653(11) 0.37011(15) 0.10678(10) 0.0258(4) Uani 1 1 d .
C4 C 0.21714(14) 0.35540(18) 0.13269(12) 0.0371(6) Uani 1 1 d .
C5 C 0.2264(2) 0.3178(2) 0.19621(16) 0.0574(10) Uani 1 1 d .
C6 C 0.2866(2) 0.2949(2) 0.23417(14) 0.0630(11) Uani 1 1 d .
C7 C 0.33647(19) 0.3087(2) 0.21069(13) 0.0571(9) Uani 1 1 d .
C8 C 0.32635(14) 0.34551(18) 0.14837(11) 0.0390(6) Uani 1 1 d .
C9 C 0.25002(10) 0.30149(15) -0.01456(10) 0.0217(4) Uani 1 1 d .
C10 C 0.19175(11) 0.26010(18) -0.04659(12) 0.0303(5) Uani 1 1 d .
C11 C 0.18338(12) 0.1780(2) -0.08951(12) 0.0363(5) Uani 1 1 d .
C12 C 0.23573(13) 0.13381(17) -0.10101(11) 0.0336(5) Uani 1 1 d .
C13 C 0.29494(12) 0.17160(17) -0.06984(11) 0.0306(5) Uani 1 1 d .
C14 C 0.30118(11) 0.25419(15) -0.02790(10) 0.0255(4) Uani 1 1 d .
C15 C 0.26099(11) 0.51210(15) -0.06313(10) 0.0245(4) Uani 1 1 d .
C16 C 0.20565(13) 0.49319(18) -0.11387(11) 0.0332(5) Uani 1 1 d .
H16A H 0.1669 0.4794 -0.1044 0.040 Uiso 1 1 calc R
C17 C 0.20692(17) 0.4944(2) -0.17825(12) 0.0492(8) Uani 1 1 d .
H17A H 0.1690 0.4825 -0.2124 0.059 Uiso 1 1 calc R
C18 C 0.26333(19) 0.5128(2) -0.19264(13) 0.0579(9) Uani 1 1 d .
H18A H 0.2641 0.5135 -0.2365 0.069 Uiso 1 1 calc R
C19 C 0.31809(16) 0.5302(2) -0.14327(13) 0.0483(7) Uani 1 1 d .
H19A H 0.3567 0.5431 -0.1531 0.058 Uiso 1 1 calc R
C20 C 0.31736(12) 0.52907(19) -0.07864(11) 0.0323(5) Uani 1 1 d .
H20A H 0.3557 0.5400 -0.0449 0.039 Uiso 1 1 calc R
C21 C 0.25529(11) 0.75530(16) -0.07197(10) 0.0260(4) Uani 1 1 d .
H21A H 0.2368 0.6997 -0.1042 0.031 Uiso 1 1 calc R
C22 C 0.22110(11) 0.83719(17) -0.05374(10) 0.0276(4) Uani 1 1 d .
H22A H 0.1743 0.8487 -0.0709 0.033 Uiso 1 1 calc R
C23 C 0.26543(11) 0.90525(16) -0.01142(10) 0.0273(4) Uani 1 1 d .
H23A H 0.2552 0.9721 0.0064 0.033 Uiso 1 1 calc R
C24 C 0.32672(11) 0.86373(17) -0.00265(11) 0.0283(4) Uani 1 1 d .
H24A H 0.3676 0.8965 0.0227 0.034 Uiso 1 1 calc R
C25 C 0.32089(11) 0.77090(18) -0.03973(11) 0.0281(4) Uani 1 1 d .
H25A H 0.3568 0.7284 -0.0454 0.034 Uiso 1 1 calc R
C26 C 0.35147(10) 0.66358(16) 0.20197(9) 0.0224(4) Uani 1 1 d .
C27 C 0.31486(11) 0.7014(2) 0.24022(11) 0.0367(6) Uani 1 1 d .
H27A H 0.2904 0.7622 0.2274 0.044 Uiso 1 1 calc R
C28 C 0.31405(14) 0.6507(3) 0.29676(12) 0.0530(9) Uani 1 1 d .
H28A H 0.2885 0.6765 0.3220 0.064 Uiso 1 1 calc R
C29 C 0.34987(16) 0.5638(3) 0.31626(13) 0.0553(9) Uani 1 1 d .
H29A H 0.3493 0.5294 0.3550 0.066 Uiso 1 1 calc R
C30 C 0.38657(17) 0.5265(2) 0.27965(13) 0.0526(8) Uani 1 1 d .
H30A H 0.4117 0.4666 0.2935 0.063 Uiso 1 1 calc R
C31 C 0.38746(13) 0.57574(18) 0.22206(11) 0.0346(5) Uani 1 1 d .
H31A H 0.4127 0.5489 0.1969 0.041 Uiso 1 1 calc R
C32 C 0.42484(9) 0.69737(16) 0.11279(9) 0.0217(4) Uani 1 1 d .
C33 C 0.42456(11) 0.59872(18) 0.08619(10) 0.0276(4) Uani 1 1 d .
H33A H 0.3881 0.5562 0.0793 0.033 Uiso 1 1 calc R
C34 C 0.47750(12) 0.5625(2) 0.06972(11) 0.0358(5) Uani 1 1 d .
H34A H 0.4773 0.4948 0.0528 0.043 Uiso 1 1 calc R
C35 C 0.53044(12) 0.6249(2) 0.07798(12) 0.0401(6) Uani 1 1 d .
H35A H 0.5662 0.6005 0.0661 0.048 Uiso 1 1 calc R
C36 C 0.53091(12) 0.7222(2) 0.10337(12) 0.0377(5) Uani 1 1 d .
H36A H 0.5671 0.7651 0.1091 0.045 Uiso 1 1 calc R
C37 C 0.47832(11) 0.75868(18) 0.12079(11) 0.0289(4) Uani 1 1 d .
H37A H 0.4792 0.8261 0.1383 0.035 Uiso 1 1 calc R
C38 C 0.38207(10) 0.86285(16) 0.17575(10) 0.0239(4) Uani 1 1 d .
C39 C 0.36099(11) 0.95915(17) 0.15062(11) 0.0281(4) Uani 1 1 d .
H39A H 0.3293 0.9643 0.1099 0.034 Uiso 1 1 calc R
C40 C 0.38597(13) 1.04841(19) 0.18459(13) 0.0376(5) Uani 1 1 d .
H40A H 0.3709 1.1140 0.1670 0.045 Uiso 1 1 calc R
C41 C 0.43253(13) 1.0424(2) 0.24384(14) 0.0414(6) Uani 1 1 d .
H41A H 0.4495 1.1034 0.2668 0.050 Uiso 1 1 calc R
C42 C 0.45409(12) 0.9468(2) 0.26917(12) 0.0377(5) Uani 1 1 d .
H42A H 0.4862 0.9423 0.3097 0.045 Uiso 1 1 calc R
C43 C 0.42947(11) 0.85744(18) 0.23612(11) 0.0310(5) Uani 1 1 d .
H43A H 0.4446 0.7922 0.2542 0.037 Uiso 1 1 calc R
C44 C 0.16961(10) 0.71958(17) 0.14707(10) 0.0238(4) Uani 1 1 d .
C45 C 0.17015(12) 0.61325(18) 0.15727(12) 0.0321(5) Uani 1 1 d .
H45A H 0.1774 0.5679 0.1255 0.039 Uiso 1 1 calc R
C46 C 0.16020(13) 0.5728(2) 0.21322(13) 0.0404(6) Uani 1 1 d .
H46A H 0.1605 0.5002 0.2194 0.048 Uiso 1 1 calc R
C47 C 0.14983(13) 0.6385(2) 0.26006(12) 0.0417(6) Uani 1 1 d .
H47A H 0.1438 0.6110 0.2987 0.050 Uiso 1 1 calc R
C48 C 0.14831(13) 0.7429(2) 0.25027(12) 0.0386(6) Uani 1 1 d .
H48A H 0.1407 0.7877 0.2821 0.046 Uiso 1 1 calc R
C49 C 0.15785(11) 0.78426(19) 0.19401(11) 0.0310(5) Uani 1 1 d .
H49A H 0.1563 0.8568 0.1876 0.037 Uiso 1 1 calc R
C50 C 0.10885(10) 0.70410(15) 0.01525(10) 0.0227(4) Uani 1 1 d .
C51 C 0.11137(11) 0.65249(19) -0.04051(12) 0.0321(5) Uani 1 1 d .
H51A H 0.1503 0.6491 -0.0511 0.038 Uiso 1 1 calc R
C52 C 0.05730(12) 0.6058(2) -0.08099(14) 0.0461(7) Uani 1 1 d .
H52A H 0.0593 0.5716 -0.1194 0.055 Uiso 1 1 calc R
C53 C 0.00071(12) 0.6089(2) -0.06562(15) 0.0459(7) Uani 1 1 d .
H53A H -0.0359 0.5759 -0.0930 0.055 Uiso 1 1 calc R
C54 C -0.00251(12) 0.6600(2) -0.01040(13) 0.0382(6) Uani 1 1 d .
H54A H -0.0415 0.6629 0.0000 0.046 Uiso 1 1 calc R
C55 C 0.05103(11) 0.70696(19) 0.02974(12) 0.0308(5) Uani 1 1 d .
H55A H 0.0485 0.7417 0.0677 0.037 Uiso 1 1 calc R
C56 C 0.15811(10) 0.90078(15) 0.06722(11) 0.0251(4) Uani 1 1 d .
C57 C 0.19794(12) 0.96735(17) 0.11242(12) 0.0320(5) Uani 1 1 d .
H57A H 0.2333 0.9400 0.1449 0.038 Uiso 1 1 calc R
C58 C 0.18640(14) 1.07245(19) 0.11042(16) 0.0462(7) Uani 1 1 d .
H58A H 0.2134 1.1166 0.1418 0.055 Uiso 1 1 calc R
C59 C 0.13557(16) 1.1133(2) 0.06267(19) 0.0564(8) Uani 1 1 d .
H59A H 0.1275 1.1853 0.0613 0.068 Uiso 1 1 calc R
C60 C 0.09670(15) 1.0489(2) 0.01701(17) 0.0517(7) Uani 1 1 d .
H60A H 0.0623 1.0771 -0.0162 0.062 Uiso 1 1 calc R
C61 C 0.10750(12) 0.94250(18) 0.01925(13) 0.0353(5) Uani 1 1 d .
H61A H 0.0802 0.8987 -0.0121 0.042 Uiso 1 1 calc R
C62 C 0.9784(2) 0.6101(4) 0.2285(2) 0.0838(13) Uani 1 1 d .
C63 C 0.9948(3) 0.5125(4) 0.2496(2) 0.0933(15) Uani 1 1 d .
H63A H 1.0114 0.4678 0.2236 0.112 Uiso 1 1 calc R
C64 C 0.9879(3) 0.4743(6) 0.3095(4) 0.123(2) Uani 1 1 d .
H64A H 0.9998 0.4055 0.3226 0.148 Uiso 1 1 calc R
C65 C 0.9667(3) 0.5300(7) 0.3435(3) 0.128(3) Uani 1 1 d .
H65A H 0.9560 0.5031 0.3800 0.153 Uiso 1 1 calc R
C66 C 0.9580(5) 0.6404(5) 0.3266(4) 0.186(5) Uani 1 1 d .
H66A H 0.9496 0.6869 0.3573 0.224 Uiso 1 1 calc R
C67 C 0.9613(3) 0.6772(5) 0.2704(3) 0.121(2) Uani 1 1 d .
H67A H 0.9523 0.7476 0.2592 0.145 Uiso 1 1 calc R
C68 C 0.9881(3) 0.6500(5) 0.1682(3) 0.1019(16) Uani 1 1 d .
H68A H 1.0041 0.5946 0.1463 0.153 Uiso 1 1 calc R
H68B H 1.0189 0.7065 0.1786 0.153 Uiso 1 1 calc R
H68C H 0.9476 0.6754 0.1397 0.153 Uiso 1 1 calc R
C69 C 0.49967(17) 0.1944(3) 0.09133(19) 0.0668(10) Uani 1 1 d .
H69A H 0.4750 0.2154 0.1204 0.100 Uiso 1 1 calc R
H69B H 0.4938 0.2450 0.0563 0.100 Uiso 1 1 calc R
H69C H 0.5448 0.1905 0.1159 0.100 Uiso 1 1 calc R
C70 C 0.47724(15) 0.0901(3) 0.06273(16) 0.0561(8) Uani 1 1 d .
H70A H 0.4314 0.0944 0.0391 0.067 Uiso 1 1 calc R
H70B H 0.4824 0.0399 0.0985 0.067 Uiso 1 1 calc R
C71 C 0.51235(14) 0.0504(2) 0.01664(15) 0.0491(7) Uani 1 1 d .
H71A H 0.5100 0.1033 -0.0171 0.059 Uiso 1 1 calc R
H71B H 0.5577 0.0414 0.0412 0.059 Uiso 1 1 calc R
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'
B B 0.0013 0.0007 '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
C1 Ru1 C25 105.68(8) .
C1 Ru1 C22 125.80(8) .
C25 Ru1 C22 61.22(8) .
C1 Ru1 C21 99.66(7) .
C25 Ru1 C21 36.71(8) .
C22 Ru1 C21 36.70(8) .
C1 Ru1 C24 138.93(8) .
C25 Ru1 C24 36.85(8) .
C22 Ru1 C24 60.82(8) .
C21 Ru1 C24 61.13(8) .
C1 Ru1 C23 160.72(8) .
C25 Ru1 C23 61.18(8) .
C22 Ru1 C23 36.68(8) .
C21 Ru1 C23 61.23(8) .
C24 Ru1 C23 36.19(8) .
C1 Ru1 P1 85.76(5) .
C25 Ru1 P1 102.96(6) .
C22 Ru1 P1 146.50(6) .
C21 Ru1 P1 139.42(6) .
C24 Ru1 P1 88.51(6) .
C23 Ru1 P1 110.18(6) .
C1 Ru1 P2 89.01(5) .
C25 Ru1 P2 149.75(6) .
C22 Ru1 P2 88.67(6) .
C21 Ru1 P2 115.80(6) .
C24 Ru1 P2 131.64(6) .
C23 Ru1 P2 97.03(6) .
P1 Ru1 P2 104.405(18) .
C26 P1 C38 97.80(9) .
C26 P1 C32 103.11(9) .
C38 P1 C32 100.99(9) .
C26 P1 Ru1 123.22(7) .
C38 P1 Ru1 120.23(7) .
C32 P1 Ru1 108.30(6) .
C50 P2 C56 102.48(10) .
C50 P2 C44 97.63(10) .
C56 P2 C44 102.97(10) .
C50 P2 Ru1 114.53(7) .
C56 P2 Ru1 109.12(7) .
C44 P2 Ru1 127.04(7) .
C2 B1 C9 120.34(17) .
C2 B1 C3 125.68(17) .
C9 B1 C3 113.90(16) .
C2 C1 Ru1 135.73(14) .
C2 C1 H1A 112.1 .
Ru1 C1 H1A 112.1 .
C1 C2 B1 120.60(17) .
C1 C2 C15 123.78(17) .
B1 C2 C15 115.60(16) .
C4 C3 C8 114.7(2) .
C4 C3 B1 124.6(2) .
C8 C3 B1 120.2(2) .
F5 C4 C3 119.2(2) .
F5 C4 C5 118.3(3) .
C3 C4 C5 122.4(3) .
F4 C5 C6 121.8(3) .
F4 C5 C4 118.7(4) .
C6 C5 C4 119.5(3) .
F3 C6 C7 121.3(4) .
F3 C6 C5 118.7(4) .
C7 C6 C5 120.0(3) .
F2 C7 C6 120.0(3) .
F2 C7 C8 120.4(4) .
C6 C7 C8 119.5(3) .
F1 C8 C7 116.5(3) .
F1 C8 C3 119.7(2) .
C7 C8 C3 123.8(3) .
C10 C9 C14 114.81(18) .
C10 C9 B1 122.93(18) .
C14 C9 B1 122.23(18) .
F10 C10 C9 118.96(19) .
F10 C10 C11 117.2(2) .
C9 C10 C11 123.8(2) .
F9 C11 C12 119.8(2) .
F9 C11 C10 121.1(2) .
C12 C11 C10 119.1(2) .
F8 C12 C13 120.6(2) .
F8 C12 C11 120.0(2) .
C13 C12 C11 119.4(2) .
F7 C13 C12 119.6(2) .
F7 C13 C14 120.7(2) .
C12 C13 C14 119.7(2) .
F6 C14 C13 117.2(2) .
F6 C14 C9 119.53(18) .
C13 C14 C9 123.2(2) .
C20 C15 C16 118.3(2) .
C20 C15 C2 120.19(19) .
C16 C15 C2 121.4(2) .
C17 C16 C15 120.5(3) .
C17 C16 H16A 119.8 .
C15 C16 H16A 119.8 .
C18 C17 C16 120.3(3) .
C18 C17 H17A 119.9 .
C16 C17 H17A 119.9 .
C19 C18 C17 119.8(2) .
C19 C18 H18A 120.1 .
C17 C18 H18A 120.1 .
C18 C19 C20 120.4(3) .
C18 C19 H19A 119.8 .
C20 C19 H19A 119.8 .
C15 C20 C19 120.8(3) .
C15 C20 H20A 119.6 .
C19 C20 H20A 119.6 .
C22 C21 C25 107.7(2) .
C22 C21 Ru1 71.40(12) .
C25 C21 Ru1 71.37(12) .
C22 C21 H21A 126.1 .
C25 C21 H21A 126.1 .
Ru1 C21 H21A 126.1 .
C21 C22 C23 108.6(2) .
C21 C22 Ru1 71.90(12) .
C23 C22 Ru1 72.76(12) .
C21 C22 H22A 125.6 .
C23 C22 H22A 125.6 .
Ru1 C22 H22A 125.6 .
C24 C23 C22 107.3(2) .
C24 C23 Ru1 71.26(12) .
C22 C23 Ru1 70.55(11) .
C24 C23 H23A 126.3 .
C22 C23 H23A 126.3 .
Ru1 C23 H23A 126.3 .
C23 C24 C25 108.7(2) .
C23 C24 Ru1 72.55(12) .
C25 C24 Ru1 71.09(12) .
C23 C24 H24A 125.6 .
C25 C24 H24A 125.6 .
Ru1 C24 H24A 125.6 .
C21 C25 C24 107.73(19) .
C21 C25 Ru1 71.92(12) .
C24 C25 Ru1 72.06(11) .
C21 C25 H25A 126.0 .
C24 C25 H25A 126.0 .
Ru1 C25 H25A 126.0 .
C31 C26 C27 118.7(2) .
C31 C26 P1 124.86(17) .
C27 C26 P1 116.18(18) .
C28 C27 C26 120.5(3) .
C28 C27 H27A 119.7 .
C26 C27 H27A 119.7 .
C29 C28 C27 120.3(3) .
C29 C28 H28A 119.9 .
C27 C28 H28A 119.9 .
C28 C29 C30 119.8(2) .
C28 C29 H29A 120.1 .
C30 C29 H29A 120.1 .
C29 C30 C31 120.8(3) .
C29 C30 H30A 119.6 .
C31 C30 H30A 119.6 .
C26 C31 C30 119.8(3) .
C26 C31 H31A 120.1 .
C30 C31 H31A 120.1 .
C37 C32 C33 118.37(19) .
C37 C32 P1 122.85(16) .
C33 C32 P1 118.70(16) .
C34 C33 C32 120.5(2) .
C34 C33 H33A 119.8 .
C32 C33 H33A 119.8 .
C35 C34 C33 120.3(2) .
C35 C34 H34A 119.8 .
C33 C34 H34A 119.8 .
C36 C35 C34 119.6(2) .
C36 C35 H35A 120.2 .
C34 C35 H35A 120.2 .
C35 C36 C37 120.4(2) .
C35 C36 H36A 119.8 .
C37 C36 H36A 119.8 .
C32 C37 C36 120.8(2) .
C32 C37 H37A 119.6 .
C36 C37 H37A 119.6 .
C39 C38 C43 118.5(2) .
C39 C38 P1 122.35(17) .
C43 C38 P1 119.07(17) .
C38 C39 C40 120.5(2) .
C38 C39 H39A 119.7 .
C40 C39 H39A 119.7 .
C41 C40 C39 120.6(2) .
C41 C40 H40A 119.7 .
C39 C40 H40A 119.7 .
C42 C41 C40 119.4(2) .
C42 C41 H41A 120.3 .
C40 C41 H41A 120.3 .
C41 C42 C43 120.7(2) .
C41 C42 H42A 119.7 .
C43 C42 H42A 119.7 .
C42 C43 C38 120.3(2) .
C42 C43 H43A 119.8 .
C38 C43 H43A 119.8 .
C49 C44 C45 118.3(2) .
C49 C44 P2 124.64(18) .
C45 C44 P2 116.93(16) .
C46 C45 C44 120.9(2) .
C46 C45 H45A 119.5 .
C44 C45 H45A 119.5 .
C45 C46 C47 119.9(2) .
C45 C46 H46A 120.0 .
C47 C46 H46A 120.0 .
C48 C47 C46 119.8(2) .
C48 C47 H47A 120.1 .
C46 C47 H47A 120.1 .
C47 C48 C49 120.7(2) .
C47 C48 H48A 119.7 .
C49 C48 H48A 119.7 .
C44 C49 C48 120.4(2) .
C44 C49 H49A 119.8 .
C48 C49 H49A 119.8 .
C51 C50 C55 118.4(2) .
C51 C50 P2 120.75(16) .
C55 C50 P2 120.84(16) .
C50 C51 C52 120.5(2) .
C50 C51 H51A 119.8 .
C52 C51 H51A 119.8 .
C53 C52 C51 120.3(2) .
C53 C52 H52A 119.9 .
C51 C52 H52A 119.9 .
C52 C53 C54 119.9(2) .
C52 C53 H53A 120.1 .
C54 C53 H53A 120.1 .
C53 C54 C55 120.0(2) .
C53 C54 H54A 120.0 .
C55 C54 H54A 120.0 .
C54 C55 C50 121.0(2) .
C54 C55 H55A 119.5 .
C50 C55 H55A 119.5 .
C61 C56 C57 118.7(2) .
C61 C56 P2 123.23(17) .
C57 C56 P2 117.82(17) .
C58 C57 C56 120.9(2) .
C58 C57 H57A 119.6 .
C56 C57 H57A 119.6 .
C59 C58 C57 120.0(3) .
C59 C58 H58A 120.0 .
C57 C58 H58A 120.0 .
C60 C59 C58 119.7(2) .
C60 C59 H59A 120.1 .
C58 C59 H59A 120.1 .
C59 C60 C61 120.6(3) .
C59 C60 H60A 119.7 .
C61 C60 H60A 119.7 .
C56 C61 C60 120.1(3) .
C56 C61 H61A 120.0 .
C60 C61 H61A 120.0 .
C63 C62 C67 117.6(5) .
C63 C62 C68 122.2(5) .
C67 C62 C68 119.5(5) .
C62 C63 C64 122.5(5) .
C62 C63 H63A 118.7 .
C64 C63 H63A 118.7 .
C65 C64 C63 119.9(7) .
C65 C64 H64A 120.0 .
C63 C64 H64A 120.0 .
C64 C65 C66 118.2(7) .
C64 C65 H65A 120.9 .
C66 C65 H65A 120.9 .
C67 C66 C65 122.5(6) .
C67 C66 H66A 118.7 .
C65 C66 H66A 118.7 .
C66 C67 C62 118.0(6) .
C66 C67 H67A 121.0 .
C62 C67 H67A 121.0 .
C62 C68 H68A 109.5 .
C62 C68 H68B 109.5 .
H68A C68 H68B 109.5 .
C62 C68 H68C 109.5 .
H68A C68 H68C 109.5 .
H68B C68 H68C 109.5 .
C70 C69 H69A 109.5 .
C70 C69 H69B 109.5 .
H69A C69 H69B 109.5 .
C70 C69 H69C 109.5 .
H69A C69 H69C 109.5 .
H69B C69 H69C 109.5 .
C69 C70 C71 113.8(3) .
C69 C70 H70A 108.8 .
C71 C70 H70A 108.8 .
C69 C70 H70B 108.8 .
C71 C70 H70B 108.8 .
H70A C70 H70B 107.7 .
C71 C71 C70 115.0(3) 3_655
C71 C71 H71A 108.5 3_655
C70 C71 H71A 108.5 .
C71 C71 H71B 108.5 3_655
C70 C71 H71B 108.5 .
H71A C71 H71B 107.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1 2.0272(19) .
Ru1 C25 2.254(2) .
Ru1 C22 2.255(2) .
Ru1 C21 2.262(2) .
Ru1 C24 2.267(2) .
Ru1 C23 2.284(2) .
Ru1 P1 2.3059(5) .
Ru1 P2 2.3116(5) .
P1 C26 1.836(2) .
P1 C38 1.839(2) .
P1 C32 1.845(2) .
P2 C50 1.838(2) .
P2 C56 1.839(2) .
P2 C44 1.840(2) .
F1 C8 1.346(3) .
F2 C7 1.342(4) .
F3 C6 1.344(3) .
F4 C5 1.345(4) .
F5 C4 1.345(3) .
F6 C14 1.348(3) .
F7 C13 1.348(3) .
F8 C12 1.341(2) .
F9 C11 1.342(3) .
F10 C10 1.350(3) .
B1 C2 1.499(3) .
B1 C9 1.600(3) .
B1 C3 1.600(3) .
C1 C2 1.403(3) .
C1 H1A 0.9500 .
C2 C15 1.505(3) .
C3 C4 1.374(3) .
C3 C8 1.396(4) .
C4 C5 1.410(4) .
C5 C6 1.371(6) .
C6 C7 1.350(6) .
C7 C8 1.380(4) .
C9 C10 1.376(3) .
C9 C14 1.385(3) .
C10 C11 1.386(3) .
C11 C12 1.374(4) .
C12 C13 1.370(4) .
C13 C14 1.382(3) .
C15 C20 1.395(3) .
C15 C16 1.400(3) .
C16 C17 1.395(3) .
C16 H16A 0.9500 .
C17 C18 1.387(5) .
C17 H17A 0.9500 .
C18 C19 1.373(5) .
C18 H18A 0.9500 .
C19 C20 1.397(3) .
C19 H19A 0.9500 .
C20 H20A 0.9500 .
C21 C22 1.422(3) .
C21 C25 1.422(3) .
C21 H21A 1.0000 .
C22 C23 1.429(3) .
C22 H22A 1.0000 .
C23 C24 1.414(3) .
C23 H23A 1.0000 .
C24 C25 1.429(3) .
C24 H24A 1.0000 .
C25 H25A 1.0000 .
C26 C31 1.383(3) .
C26 C27 1.400(3) .
C27 C28 1.388(4) .
C27 H27A 0.9500 .
C28 C29 1.369(5) .
C28 H28A 0.9500 .
C29 C30 1.372(5) .
C29 H29A 0.9500 .
C30 C31 1.400(3) .
C30 H30A 0.9500 .
C31 H31A 0.9500 .
C32 C37 1.389(3) .
C32 C33 1.401(3) .
C33 C34 1.396(3) .
C33 H33A 0.9500 .
C34 C35 1.387(4) .
C34 H34A 0.9500 .
C35 C36 1.374(4) .
C35 H35A 0.9500 .
C36 C37 1.400(3) .
C36 H36A 0.9500 .
C37 H37A 0.9500 .
C38 C39 1.386(3) .
C38 C43 1.410(3) .
C39 C40 1.393(3) .
C39 H39A 0.9500 .
C40 C41 1.385(4) .
C40 H40A 0.9500 .
C41 C42 1.381(4) .
C41 H41A 0.9500 .
C42 C43 1.385(3) .
C42 H42A 0.9500 .
C43 H43A 0.9500 .
C44 C49 1.395(3) .
C44 C45 1.396(3) .
C45 C46 1.389(3) .
C45 H45A 0.9500 .
C46 C47 1.390(4) .
C46 H46A 0.9500 .
C47 C48 1.370(4) .
C47 H47A 0.9500 .
C48 C49 1.396(3) .
C48 H48A 0.9500 .
C49 H49A 0.9500 .
C50 C51 1.390(3) .
C50 C55 1.398(3) .
C51 C52 1.392(3) .
C51 H51A 0.9500 .
C52 C53 1.381(4) .
C52 H52A 0.9500 .
C53 C54 1.381(4) .
C53 H53A 0.9500 .
C54 C55 1.382(3) .
C54 H54A 0.9500 .
C55 H55A 0.9500 .
C56 C61 1.388(3) .
C56 C57 1.400(3) .
C57 C58 1.385(3) .
C57 H57A 0.9500 .
C58 C59 1.384(5) .
C58 H58A 0.9500 .
C59 C60 1.380(5) .
C59 H59A 0.9500 .
C60 C61 1.398(3) .
C60 H60A 0.9500 .
C61 H61A 0.9500 .
C62 C63 1.357(7) .
C62 C67 1.384(7) .
C62 C68 1.468(7) .
C63 C64 1.430(8) .
C63 H63A 0.9500 .
C64 C65 1.216(8) .
C64 H64A 0.9500 .
C65 C66 1.477(10) .
C65 H65A 0.9500 .
C66 C67 1.323(9) .
C66 H66A 0.9500 .
C67 H67A 0.9500 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 C70 1.507(6) .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C70 C71 1.516(4) .
C70 H70A 0.9900 .
C70 H70B 0.9900 .
C71 C71 1.512(7) 3_655
C71 H71A 0.9900 .
C71 H71B 0.9900 .
