#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/11/7051195.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_7051195
loop_
_publ_author_name
'Jung, Stefan'
'Brandt, Carsten D.'
'Werner, Helmut'
_publ_section_title
;
 A cationic allenylideneruthenium(II) complex with two bulky hemilabile
 phosphine ligands
;
_journal_issue                   9
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1101
_journal_paper_doi               10.1039/b104787f
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C63 H86 Cl F6 O4 P3 Ru'
_chemical_formula_weight         1250.75
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                107.00(3)
_cell_angle_beta                 110.32(3)
_cell_angle_gamma                98.76(3)
_cell_formula_units_Z            2
_cell_length_a                   13.272(3)
_cell_length_b                   15.701(3)
_cell_length_c                   16.934(3)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.05
_cell_measurement_theta_min      2.19
_cell_volume                     3035.2(16)
_computing_cell_refinement       'IPDS (STOE)'
_computing_data_collection       'IPDS (STOE)'
_computing_data_reduction        'IPDS (STOE)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'IPDS (STOE)'
_diffrn_measurement_method       'IPDS (STOE)'
_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  0.0579
_diffrn_reflns_av_sigmaI/netI    0.0895
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            40584
_diffrn_reflns_theta_full        28.05
_diffrn_reflns_theta_max         28.05
_diffrn_reflns_theta_min         2.19
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.446
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow-brown
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.168
_refine_diff_density_min         -1.364
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.870
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     750
_refine_ls_number_reflns         13532
_refine_ls_number_restraints     168
_refine_ls_restrained_S_all      0.874
_refine_ls_R_factor_all          0.0910
_refine_ls_R_factor_gt           0.0484
_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)+(0.0744P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1248
_reflns_number_gt                8150
_reflns_number_total             13532
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104787f.txt
_cod_data_source_block           sj2cb
_cod_original_cell_volume        3034.9(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7051195
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
Ru Ru 0.84196(2) 0.767178(17) 0.726041(19) 0.02206(8) Uani 1 1 d . . .
Cl1 Cl 0.90556(7) 0.76992(5) 0.87911(6) 0.03047(19) Uani 1 1 d . . .
O1 O 0.8904(2) 0.63440(14) 0.69976(16) 0.0271(5) Uani 1 1 d . . .
O2 O 0.6705(2) 0.68646(16) 0.7042(2) 0.0357(6) Uani 1 1 d . . .
O3 O 0.6271(2) 1.47330(17) 1.1452(2) 0.0431(7) Uani 1 1 d . . .
H3 H 0.6755 1.5099 1.1402 0.065 Uiso 1 1 calc R . .
P1 P 1.01717(7) 0.82885(5) 0.74306(6) 0.02124(18) Uani 1 1 d . . .
P2 P 0.74536(8) 0.72199(6) 0.56745(6) 0.0274(2) Uani 1 1 d . . .
P3 P 0.27169(10) 0.69341(8) 0.49573(9) 0.0506(3) Uani 1 1 d U . .
F1 F 0.3902(11) 0.7646(10) 0.5511(8) 0.079(3) Uani 0.60 1 d PU A 1
F2 F 0.2874(8) 0.6817(7) 0.4011(5) 0.074(2) Uani 0.60 1 d PU A 1
F3 F 0.1546(7) 0.6103(5) 0.4356(8) 0.088(3) Uani 0.60 1 d PU A 1
F4 F 0.3108(9) 0.6113(6) 0.5232(7) 0.082(2) Uani 0.60 1 d PU A 1
F5 F 0.2478(6) 0.7890(5) 0.4849(7) 0.082(2) Uani 0.60 1 d PU A 1
F6 F 0.2342(13) 0.6997(7) 0.5759(8) 0.090(3) Uani 0.60 1 d PU A 1
F1^ F 0.3991(16) 0.7576(15) 0.5728(12) 0.076(4) Uani 0.40 1 d PU A 2
F2^ F 0.3175(11) 0.6687(11) 0.4245(9) 0.074(3) Uani 0.40 1 d PU A 2
F3^ F 0.1519(10) 0.6437(8) 0.4301(12) 0.069(3) Uani 0.40 1 d PU A 2
F4^ F 0.3267(11) 0.6119(9) 0.4940(8) 0.073(3) Uani 0.40 1 d PU A 2
F5^ F 0.2036(9) 0.7606(8) 0.4754(10) 0.077(3) Uani 0.40 1 d PU A 2
F6^ F 0.2506(17) 0.7313(10) 0.5864(12) 0.075(3) Uani 0.40 1 d PU A 2
C1 C 0.8082(3) 0.8788(2) 0.7468(2) 0.0236(7) Uani 1 1 d . . .
C2 C 0.7829(3) 0.9552(2) 0.7615(2) 0.0240(7) Uani 1 1 d . . .
C3 C 0.7557(3) 1.0365(2) 0.7724(2) 0.0241(7) Uani 1 1 d . . .
C4 C 1.0586(3) 0.7228(2) 0.7027(2) 0.0290(8) Uani 1 1 d . . .
H4A H 1.0312 0.7000 0.6358 0.035 Uiso 1 1 calc R . .
H4B H 1.1413 0.7374 0.7291 0.035 Uiso 1 1 calc R . .
C5 C 1.0098(3) 0.6482(2) 0.7301(3) 0.0307(8) Uani 1 1 d . . .
H5A H 1.0249 0.5894 0.7025 0.037 Uiso 1 1 calc R . .
H5B H 1.0454 0.6672 0.7969 0.037 Uiso 1 1 calc R . .
C6 C 0.8412(3) 0.5603(2) 0.7215(3) 0.0378(9) Uani 1 1 d . . .
H6A H 0.8537 0.5023 0.6903 0.057 Uiso 1 1 calc R . .
H6B H 0.7605 0.5526 0.7017 0.057 Uiso 1 1 calc R . .
H6C H 0.8762 0.5759 0.7872 0.057 Uiso 1 1 calc R . .
C7 C 0.6368(4) 0.6206(3) 0.5461(3) 0.0487(12) Uani 1 1 d . . .
H7A H 0.5790 0.5990 0.4832 0.058 Uiso 1 1 calc R . .
H7B H 0.6703 0.5696 0.5530 0.058 Uiso 1 1 calc R . .
C8 C 0.5846(3) 0.6453(3) 0.6112(4) 0.0553(14) Uani 1 1 d . . .
H8A H 0.5421 0.6899 0.5984 0.066 Uiso 1 1 calc R . .
H8B H 0.5315 0.5888 0.6038 0.066 Uiso 1 1 calc R . .
C9 C 0.6248(4) 0.7167(3) 0.7681(4) 0.0568(13) Uani 1 1 d . . .
H9A H 0.5875 0.7636 0.7557 0.085 Uiso 1 1 calc R . .
H9B H 0.6851 0.7438 0.8295 0.085 Uiso 1 1 calc R . .
H9C H 0.5703 0.6637 0.7635 0.085 Uiso 1 1 calc R . .
C10 C 0.6444(3) 1.0417(2) 0.7674(2) 0.0245(7) Uani 1 1 d . . .
C11 C 0.6272(3) 1.1262(2) 0.8085(3) 0.0311(8) Uani 1 1 d . . .
H11 H 0.6857 1.1822 0.8330 0.037 Uiso 1 1 calc R . .
C12 C 0.5260(3) 1.1292(3) 0.8137(3) 0.0362(9) Uani 1 1 d . . .
H12 H 0.5159 1.1870 0.8425 0.043 Uiso 1 1 calc R . .
C13 C 0.4395(3) 1.0488(3) 0.7773(3) 0.0366(9) Uani 1 1 d . . .
H13 H 0.3708 1.0510 0.7824 0.044 Uiso 1 1 calc R . .
C14 C 0.4534(3) 0.9644(3) 0.7333(3) 0.0357(9) Uani 1 1 d . . .
H14 H 0.3931 0.9093 0.7062 0.043 Uiso 1 1 calc R . .
C15 C 0.5544(3) 0.9607(2) 0.7290(3) 0.0306(8) Uani 1 1 d . . .
H15 H 0.5634 0.9027 0.6996 0.037 Uiso 1 1 calc R . .
C20 C 0.8431(3) 1.1213(2) 0.7923(2) 0.0261(7) Uani 1 1 d . . .
C21 C 0.9484(3) 1.1459(2) 0.8629(3) 0.0308(8) Uani 1 1 d . . .
H21 H 0.9631 1.1106 0.9005 0.037 Uiso 1 1 calc R . .
C22 C 1.0322(3) 1.2218(3) 0.8785(3) 0.0407(10) Uani 1 1 d . . .
H22 H 1.1039 1.2384 0.9269 0.049 Uiso 1 1 calc R . .
C23 C 1.0115(4) 1.2730(3) 0.8242(3) 0.0461(11) Uani 1 1 d . . .
H23 H 1.0695 1.3240 0.8345 0.055 Uiso 1 1 calc R . .
C24 C 0.9069(4) 1.2505(3) 0.7547(3) 0.0455(11) Uani 1 1 d . . .
H24 H 0.8931 1.2861 0.7173 0.055 Uiso 1 1 calc R . .
C25 C 0.8216(3) 1.1757(2) 0.7396(3) 0.0353(9) Uani 1 1 d . . .
H25 H 0.7488 1.1617 0.6935 0.042 Uiso 1 1 calc R . .
C30 C 1.1238(3) 0.8898(2) 0.8617(2) 0.0257(7) Uani 1 1 d . . .
H30 H 1.1228 0.8426 0.8905 0.031 Uiso 1 1 calc R . .
C31 C 1.0944(3) 0.9698(2) 0.9184(2) 0.0282(7) Uani 1 1 d . . .
H31A H 1.1009 1.0221 0.8973 0.034 Uiso 1 1 calc R . .
H31B H 1.0160 0.9487 0.9104 0.034 Uiso 1 1 calc R . .
C32 C 1.1729(3) 1.0022(3) 1.0181(3) 0.0378(9) Uani 1 1 d . . .
H32A H 1.1540 1.0545 1.0538 0.045 Uiso 1 1 calc R . .
H32B H 1.1626 0.9509 1.0399 0.045 Uiso 1 1 calc R . .
C33 C 1.2942(3) 1.0331(3) 1.0333(3) 0.0421(10) Uani 1 1 d . . .
H33A H 1.3433 1.0497 1.0981 0.051 Uiso 1 1 calc R . .
H33B H 1.3067 1.0892 1.0184 0.051 Uiso 1 1 calc R . .
C34 C 1.3255(3) 0.9576(3) 0.9753(3) 0.0422(10) Uani 1 1 d . . .
H34A H 1.3245 0.9054 0.9968 0.051 Uiso 1 1 calc R . .
H34B H 1.4027 0.9823 0.9824 0.051 Uiso 1 1 calc R . .
C35 C 1.2454(3) 0.9213(3) 0.8743(3) 0.0339(8) Uani 1 1 d . . .
H35A H 1.2538 0.9709 0.8501 0.041 Uiso 1 1 calc R . .
H35B H 1.2648 0.8684 0.8399 0.041 Uiso 1 1 calc R . .
C40 C 1.0361(3) 0.8968(2) 0.6738(2) 0.0239(7) Uani 1 1 d . . .
H40 H 0.9658 0.8707 0.6166 0.029 Uiso 1 1 calc R . .
C41 C 1.0431(3) 0.9996(2) 0.7176(2) 0.0250(7) Uani 1 1 d . . .
H41A H 0.9800 1.0039 0.7355 0.030 Uiso 1 1 calc R . .
H41B H 1.1139 1.0305 0.7730 0.030 Uiso 1 1 calc R . .
C42 C 1.0387(3) 1.0488(2) 0.6514(3) 0.0291(8) Uani 1 1 d . . .
H42A H 0.9651 1.0215 0.5986 0.035 Uiso 1 1 calc R . .
H42B H 1.0467 1.1153 0.6816 0.035 Uiso 1 1 calc R . .
C43 C 1.1312(3) 1.0399(2) 0.6188(3) 0.0343(8) Uani 1 1 d . . .
H43A H 1.2047 1.0748 0.6704 0.041 Uiso 1 1 calc R . .
H43B H 1.1222 1.0677 0.5723 0.041 Uiso 1 1 calc R . .
C44 C 1.1293(3) 0.9391(3) 0.5790(3) 0.0355(8) Uani 1 1 d . . .
H44A H 1.1948 0.9369 0.5638 0.043 Uiso 1 1 calc R . .
H44B H 1.0608 0.9066 0.5219 0.043 Uiso 1 1 calc R . .
C45 C 1.1319(3) 0.8883(2) 0.6436(3) 0.0300(8) Uani 1 1 d . . .
H45A H 1.2047 0.9152 0.6974 0.036 Uiso 1 1 calc R . .
H45B H 1.1242 0.8219 0.6128 0.036 Uiso 1 1 calc R . .
C50 C 0.8166(4) 0.6810(3) 0.4888(3) 0.0499(12) Uani 1 1 d . . .
H50 H 0.8957 0.7216 0.5225 0.060 Uiso 1 1 calc R . .
C51 C 0.8257(4) 0.5815(3) 0.4806(3) 0.0495(11) Uani 1 1 d . . .
H51A H 0.7514 0.5354 0.4426 0.059 Uiso 1 1 calc R . .
H51B H 0.8538 0.5775 0.5414 0.059 Uiso 1 1 calc R . .
C52 C 0.9104(5) 0.5615(3) 0.4354(4) 0.0616(14) Uani 1 1 d . . .
H52A H 0.9855 0.6052 0.4763 0.074 Uiso 1 1 calc R . .
H52B H 0.9162 0.4977 0.4274 0.074 Uiso 1 1 calc R . .
C53 C 0.8743(4) 0.5713(3) 0.3470(3) 0.0524(12) Uani 1 1 d . . .
H53A H 0.8038 0.5223 0.3036 0.063 Uiso 1 1 calc R . .
H53B H 0.9320 0.5628 0.3231 0.063 Uiso 1 1 calc R . .
C54 C 0.8562(4) 0.6655(3) 0.3542(3) 0.0506(11) Uani 1 1 d . . .
H54A H 0.9294 0.7134 0.3902 0.061 Uiso 1 1 calc R . .
H54B H 0.8264 0.6674 0.2927 0.061 Uiso 1 1 calc R . .
C55 C 0.7774(5) 0.6895(3) 0.3972(3) 0.0561(12) Uani 1 1 d . . .
H55A H 0.7011 0.6471 0.3576 0.067 Uiso 1 1 calc R . .
H55B H 0.7744 0.7538 0.4043 0.067 Uiso 1 1 calc R . .
C60 C 0.6663(3) 0.8029(2) 0.5327(2) 0.0268(7) Uani 1 1 d . . .
H60 H 0.6320 0.8212 0.5768 0.032 Uiso 1 1 calc R . .
C61 C 0.7436(3) 0.8937(2) 0.5454(2) 0.0274(7) Uani 1 1 d . . .
H61A H 0.8039 0.9206 0.6076 0.033 Uiso 1 1 calc R . .
H61B H 0.7788 0.8808 0.5020 0.033 Uiso 1 1 calc R . .
C62 C 0.6776(3) 0.9633(2) 0.5299(3) 0.0332(8) Uani 1 1 d . . .
H62A H 0.6474 0.9799 0.5764 0.040 Uiso 1 1 calc R . .
H62B H 0.7282 1.0206 0.5364 0.040 Uiso 1 1 calc R . .
C63 C 0.5817(4) 0.9232(3) 0.4361(3) 0.0420(10) Uani 1 1 d . . .
H63A H 0.6120 0.9108 0.3894 0.050 Uiso 1 1 calc R . .
H63B H 0.5388 0.9687 0.4282 0.050 Uiso 1 1 calc R . .
C64 C 0.5045(3) 0.8335(3) 0.4238(3) 0.0441(10) Uani 1 1 d . . .
H64A H 0.4438 0.8073 0.3618 0.053 Uiso 1 1 calc R . .
H64B H 0.4698 0.8472 0.4674 0.053 Uiso 1 1 calc R . .
C65 C 0.5676(3) 0.7617(2) 0.4385(3) 0.0359(9) Uani 1 1 d . . .
H65A H 0.5959 0.7429 0.3910 0.043 Uiso 1 1 calc R . .
H65B H 0.5160 0.7059 0.4336 0.043 Uiso 1 1 calc R . .
C70 C 0.7288(3) 1.3832(2) 1.0797(3) 0.0322(8) Uani 1 1 d . . .
C71 C 0.8058(4) 1.4661(3) 1.1021(3) 0.0444(10) Uani 1 1 d . . .
H71 H 0.7961 1.5234 1.1325 0.053 Uiso 1 1 calc R . .
C72 C 0.8972(4) 1.4656(3) 1.0802(4) 0.0524(12) Uani 1 1 d . . .
H72 H 0.9495 1.5227 1.0957 0.063 Uiso 1 1 calc R . .
C73 C 0.9131(4) 1.3832(3) 1.0361(3) 0.0458(10) Uani 1 1 d . . .
H73 H 0.9756 1.3836 1.0208 0.055 Uiso 1 1 calc R . .
C74 C 0.8373(3) 1.3002(3) 1.0145(3) 0.0434(10) Uani 1 1 d . . .
H74 H 0.8477 1.2429 0.9847 0.052 Uiso 1 1 calc R . .
C75 C 0.7463(3) 1.3009(3) 1.0363(3) 0.0399(10) Uani 1 1 d . . .
H75 H 0.6945 1.2436 1.0212 0.048 Uiso 1 1 calc R . .
C76 C 0.6268(3) 1.3801(2) 1.1033(3) 0.0348(9) Uani 1 1 d . . .
C77 C 0.6380(4) 1.3336(3) 1.1698(3) 0.0423(10) Uani 1 1 d . . .
C78 C 0.6487(4) 1.3029(4) 1.2264(4) 0.0576(13) Uani 1 1 d . . .
H78 H 0.6574 1.2779 1.2723 0.069 Uiso 1 1 calc R . .
C80 C 0.5173(3) 1.3311(2) 1.0173(3) 0.0351(9) Uani 1 1 d . . .
C81 C 0.4927(3) 1.3714(3) 0.9530(3) 0.0420(10) Uani 1 1 d . . .
H81 H 0.5442 1.4263 0.9623 0.050 Uiso 1 1 calc R . .
C82 C 0.3932(4) 1.3323(3) 0.8750(3) 0.0486(11) Uani 1 1 d . . .
H82 H 0.3772 1.3606 0.8313 0.058 Uiso 1 1 calc R . .
C83 C 0.3180(3) 1.2528(3) 0.8610(3) 0.0441(10) Uani 1 1 d . . .
H83 H 0.2497 1.2264 0.8079 0.053 Uiso 1 1 calc R . .
C84 C 0.3424(4) 1.2120(3) 0.9241(3) 0.0462(11) Uani 1 1 d . . .
H84 H 0.2918 1.1557 0.9132 0.055 Uiso 1 1 calc R . .
C85 C 0.44153(18) 1.25225(13) 1.00522(15) 0.0395(10) Uani 1 1 d . . .
H85 H 0.4558 1.2258 1.0504 0.047 Uiso 1 1 calc R . .
C102 C 0.31646(18) 0.59323(13) 0.19368(15) 0.0813(19) Uani 1 1 d R . .
H10A H 0.3698 0.6361 0.2546 0.122 Uiso 1 1 calc R . .
H10B H 0.2446 0.5695 0.1950 0.122 Uiso 1 1 calc R . .
H10C H 0.3056 0.6260 0.1515 0.122 Uiso 1 1 calc R . .
O100 O 0.46189(18) 0.51833(13) 0.20352(15) 0.0704(10) Uani 1 1 d R . .
C100 C 0.28549(18) 0.42773(13) 0.08322(15) 0.0643(14) Uani 1 1 d R . .
H10D H 0.3293 0.3896 0.0612 0.097 Uiso 1 1 calc R . .
H10E H 0.2399 0.4457 0.0348 0.097 Uiso 1 1 calc R . .
H10F H 0.2365 0.3920 0.1013 0.097 Uiso 1 1 calc R . .
C101 C 0.36229(18) 0.51213(13) 0.16222(15) 0.0512(11) Uani 1 1 d 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'
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'
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
C1 Ru O1 177.21(12) . . ?
C1 Ru P1 93.95(10) . . ?
O1 Ru P1 83.35(7) . . ?
C1 Ru O2 93.67(12) . . ?
O1 Ru O2 89.03(9) . . ?
P1 Ru O2 172.36(7) . . ?
C1 Ru P2 91.75(11) . . ?
O1 Ru P2 88.00(7) . . ?
P1 Ru P2 99.54(5) . . ?
O2 Ru P2 79.76(9) . . ?
C1 Ru Cl1 98.33(11) . . ?
O1 Ru Cl1 82.56(7) . . ?
P1 Ru Cl1 93.19(5) . . ?
O2 Ru Cl1 86.17(8) . . ?
P2 Ru Cl1 163.18(3) . . ?
C5 O1 C6 110.4(3) . . ?
C5 O1 Ru 113.53(18) . . ?
C6 O1 Ru 120.3(2) . . ?
C9 O2 C8 112.1(3) . . ?
C9 O2 Ru 120.9(3) . . ?
C8 O2 Ru 116.9(3) . . ?
C4 P1 C40 105.85(16) . . ?
C4 P1 C30 103.27(16) . . ?
C40 P1 C30 109.45(15) . . ?
C4 P1 Ru 101.16(12) . . ?
C40 P1 Ru 118.96(11) . . ?
C30 P1 Ru 115.95(12) . . ?
C7 P2 C60 104.27(18) . . ?
C7 P2 C50 106.7(2) . . ?
C60 P2 C50 110.02(18) . . ?
C7 P2 Ru 98.68(16) . . ?
C60 P2 Ru 114.07(12) . . ?
C50 P2 Ru 120.77(14) . . ?
F3^ P3 F2^ 94.5(9) . . ?
F3^ P3 F5^ 67.8(6) . . ?
F2^ P3 F5^ 106.8(8) . . ?
F3^ P3 F1 164.3(7) . . ?
F2^ P3 F1 81.6(9) . . ?
F5^ P3 F1 98.7(7) . . ?
F3^ P3 F4^ 102.5(7) . . ?
F2^ P3 F4^ 65.1(8) . . ?
F5^ P3 F4^ 167.5(7) . . ?
F1 P3 F4^ 89.7(7) . . ?
F3^ P3 F6 88.4(9) . . ?
F2^ P3 F6 166.2(7) . . ?
F5^ P3 F6 86.7(8) . . ?
F1 P3 F6 99.1(8) . . ?
F4^ P3 F6 101.1(7) . . ?
F3^ P3 F4 100.6(6) . . ?
F2^ P3 F4 87.1(6) . . ?
F5^ P3 F4 162.1(6) . . ?
F1 P3 F4 94.4(7) . . ?
F4^ P3 F4 22.0(6) . . ?
F6 P3 F4 79.1(6) . . ?
F3^ P3 F6^ 97.9(10) . . ?
F2^ P3 F6^ 167.7(9) . . ?
F5^ P3 F6^ 77.9(10) . . ?
F1 P3 F6^ 86.5(8) . . ?
F4^ P3 F6^ 112.0(9) . . ?
F6 P3 F6^ 16.6(8) . . ?
F4 P3 F6^ 90.8(7) . . ?
F3^ P3 F5 88.0(5) . . ?
F2^ P3 F5 96.9(7) . . ?
F5^ P3 F5 22.3(5) . . ?
F1 P3 F5 77.4(6) . . ?
F4^ P3 F5 159.5(6) . . ?
F6 P3 F5 96.7(6) . . ?
F4 P3 F5 170.2(5) . . ?
F6^ P3 F5 83.4(7) . . ?
F3^ P3 F3 20.2(6) . . ?
F2^ P3 F3 94.5(7) . . ?
F5^ P3 F3 87.1(5) . . ?
F1 P3 F3 173.7(7) . . ?
F4^ P3 F3 84.2(6) . . ?
F6 P3 F3 83.6(6) . . ?
F4 P3 F3 80.5(5) . . ?
F6^ P3 F3 97.1(8) . . ?
F5 P3 F3 108.0(4) . . ?
F3^ P3 F2 82.0(8) . . ?
F2^ P3 F2 20.1(6) . . ?
F5^ P3 F2 87.5(7) . . ?
F1 P3 F2 89.8(6) . . ?
F4^ P3 F2 83.3(5) . . ?
F6 P3 F2 170.1(6) . . ?
F4 P3 F2 104.8(4) . . ?
F6^ P3 F2 164.2(7) . . ?
F5 P3 F2 80.9(5) . . ?
F3 P3 F2 88.1(6) . . ?
F3^ P3 F1^ 173.9(9) . . ?
F2^ P3 F1^ 89.9(9) . . ?
F5^ P3 F1^ 106.9(8) . . ?
F1 P3 F1^ 13.8(13) . . ?
F4^ P3 F1^ 83.2(8) . . ?
F6 P3 F1^ 88.4(9) . . ?
F4 P3 F1^ 83.8(8) . . ?
F6^ P3 F1^ 77.8(12) . . ?
F5 P3 F1^ 87.2(7) . . ?
F3 P3 F1^ 163.5(9) . . ?
F2 P3 F1^ 101.0(10) . . ?
P3 F2^ F4^ 59.0(6) . . ?
P3 F3^ F5^ 56.8(5) . . ?
P3 F4^ F2^ 55.9(7) . . ?
P3 F5^ F3^ 55.4(6) . . ?
C2 C1 Ru 178.7(3) . . ?
C1 C2 C3 176.7(4) . . ?
C2 C3 C10 121.0(3) . . ?
C2 C3 C20 118.4(3) . . ?
C10 C3 C20 120.7(3) . . ?
C5 C4 P1 110.0(3) . . ?
O1 C5 C4 109.5(3) . . ?
C8 C7 P2 109.8(3) . . ?
O2 C8 C7 110.3(3) . . ?
C11 C10 C15 117.9(3) . . ?
C11 C10 C3 120.9(3) . . ?
C15 C10 C3 120.9(3) . . ?
C12 C11 C10 120.8(3) . . ?
C13 C12 C11 120.4(3) . . ?
C12 C13 C14 119.8(4) . . ?
C15 C14 C13 120.1(3) . . ?
C14 C15 C10 120.9(3) . . ?
C21 C20 C25 119.1(3) . . ?
C21 C20 C3 120.0(3) . . ?
C25 C20 C3 120.8(3) . . ?
C22 C21 C20 120.3(4) . . ?
C23 C22 C21 120.2(4) . . ?
C22 C23 C24 120.4(4) . . ?
C23 C24 C25 119.9(4) . . ?
C24 C25 C20 120.0(4) . . ?
C35 C30 C31 110.1(3) . . ?
C35 C30 P1 116.4(3) . . ?
C31 C30 P1 114.0(2) . . ?
C32 C31 C30 110.1(3) . . ?
C33 C32 C31 111.4(3) . . ?
C32 C33 C34 111.5(3) . . ?
C33 C34 C35 112.4(3) . . ?
C30 C35 C34 110.4(3) . . ?
C45 C40 C41 110.5(3) . . ?
C45 C40 P1 116.1(2) . . ?
C41 C40 P1 112.5(2) . . ?
C42 C41 C40 110.5(3) . . ?
C43 C42 C41 111.2(3) . . ?
C42 C43 C44 111.8(3) . . ?
C43 C44 C45 112.7(3) . . ?
C44 C45 C40 110.1(3) . . ?
C55 C50 C51 111.2(3) . . ?
C55 C50 P2 120.2(3) . . ?
C51 C50 P2 109.8(3) . . ?
C50 C51 C52 107.2(4) . . ?
C53 C52 C51 111.9(4) . . ?
C52 C53 C54 111.4(4) . . ?
C55 C54 C53 114.1(4) . . ?
C54 C55 C50 109.9(4) . . ?
C61 C60 C65 111.1(3) . . ?
C61 C60 P2 112.5(2) . . ?
C65 C60 P2 116.4(2) . . ?
C62 C61 C60 110.6(3) . . ?
C63 C62 C61 111.0(3) . . ?
C62 C63 C64 110.2(3) . . ?
C63 C64 C65 111.8(3) . . ?
C64 C65 C60 110.1(3) . . ?
C75 C70 C71 118.5(4) . . ?
C75 C70 C76 119.5(3) . . ?
C71 C70 C76 122.1(3) . . ?
C72 C71 C70 120.1(4) . . ?
C73 C72 C71 121.0(4) . . ?
C72 C73 C74 119.3(4) . . ?
C75 C74 C73 119.7(4) . . ?
C74 C75 C70 121.5(4) . . ?
O3 C76 C77 108.4(3) . . ?
O3 C76 C80 108.6(3) . . ?
C77 C76 C80 111.9(3) . . ?
O3 C76 C70 108.1(3) . . ?
C77 C76 C70 109.0(3) . . ?
C80 C76 C70 110.8(3) . . ?
C78 C77 C76 175.5(5) . . ?
C81 C80 C85 120.0(3) . . ?
C81 C80 C76 117.6(3) . . ?
C85 C80 C76 122.3(3) . . ?
C80 C81 C82 120.6(4) . . ?
C83 C82 C81 120.2(4) . . ?
C84 C83 C82 119.5(4) . . ?
C83 C84 C85 121.1(3) . . ?
C80 C85 C84 118.5(3) . . ?
O100 C101 C100 121.7 . . ?
O100 C101 C102 119.4 . . ?
C100 C101 C102 118.9 . . ?
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 C1 1.840(3) . ?
Ru O1 2.241(2) . ?
Ru P1 2.2612(11) . ?
Ru O2 2.277(3) . ?
Ru P2 2.3613(14) . ?
Ru Cl1 2.4159(11) . ?
O1 C5 1.445(4) . ?
O1 C6 1.449(4) . ?
O2 C9 1.417(6) . ?
O2 C8 1.460(5) . ?
O3 C76 1.426(4) . ?
P1 C4 1.848(3) . ?
P1 C40 1.853(4) . ?
P1 C30 1.855(4) . ?
P2 C7 1.828(4) . ?
P2 C60 1.864(3) . ?
P2 C50 1.908(5) . ?
P3 F3^ 1.503(12) . ?
P3 F2^ 1.511(14) . ?
P3 F5^ 1.527(12) . ?
P3 F1 1.559(13) . ?
P3 F4^ 1.565(13) . ?
P3 F6 1.584(13) . ?
P3 F4 1.592(9) . ?
P3 F6^ 1.614(17) . ?
P3 F5 1.629(8) . ?
P3 F3 1.631(8) . ?
P3 F2 1.649(9) . ?
P3 F1^ 1.660(18) . ?
F2^ F4^ 1.66(2) . ?
F3^ F5^ 1.689(17) . ?
C1 C2 1.273(4) . ?
C2 C3 1.357(4) . ?
C3 C10 1.467(5) . ?
C3 C20 1.491(5) . ?
C4 C5 1.518(5) . ?
C7 C8 1.487(7) . ?
C10 C11 1.399(5) . ?
C10 C15 1.407(5) . ?
C11 C12 1.384(5) . ?
C12 C13 1.379(5) . ?
C13 C14 1.391(5) . ?
C14 C15 1.376(5) . ?
C20 C21 1.392(5) . ?
C20 C25 1.396(5) . ?
C21 C22 1.391(5) . ?
C22 C23 1.375(6) . ?
C23 C24 1.382(6) . ?
C24 C25 1.396(5) . ?
C30 C35 1.533(5) . ?
C30 C31 1.535(5) . ?
C31 C32 1.521(5) . ?
C32 C33 1.515(6) . ?
C33 C34 1.515(6) . ?
C34 C35 1.536(5) . ?
C40 C45 1.536(5) . ?
C40 C41 1.540(4) . ?
C41 C42 1.527(5) . ?
C42 C43 1.518(5) . ?
C43 C44 1.520(5) . ?
C44 C45 1.526(5) . ?
C50 C55 1.509(7) . ?
C50 C51 1.555(5) . ?
C51 C52 1.585(7) . ?
C52 C53 1.468(7) . ?
C53 C54 1.511(6) . ?
C54 C55 1.500(7) . ?
C60 C61 1.534(5) . ?
C60 C65 1.539(5) . ?
C61 C62 1.526(5) . ?
C62 C63 1.519(5) . ?
C63 C64 1.523(6) . ?
C64 C65 1.529(5) . ?
C70 C75 1.386(5) . ?
C70 C71 1.386(5) . ?
C70 C76 1.537(6) . ?
C71 C72 1.386(6) . ?
C72 C73 1.379(6) . ?
C73 C74 1.383(6) . ?
C74 C75 1.381(6) . ?
C76 C77 1.491(6) . ?
C76 C80 1.536(5) . ?
C77 C78 1.169(6) . ?
C80 C81 1.382(6) . ?
C80 C85 1.384(4) . ?
C81 C82 1.390(6) . ?
C82 C83 1.376(6) . ?
C83 C84 1.373(6) . ?
C84 C85 1.414(5) . ?
C102 C101 1.5296 . ?
O100 C101 1.2348 . ?
C100 C101 1.4796 . ?
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
C1 Ru O1 C5 32(3) . . . . ?
P1 Ru O1 C5 17.1(2) . . . . ?
O2 Ru O1 C5 -163.3(2) . . . . ?
P2 Ru O1 C5 116.9(2) . . . . ?
Cl1 Ru O1 C5 -77.0(2) . . . . ?
C1 Ru O1 C6 166(2) . . . . ?
P1 Ru O1 C6 151.1(2) . . . . ?
O2 Ru O1 C6 -29.3(2) . . . . ?
P2 Ru O1 C6 -109.1(2) . . . . ?
Cl1 Ru O1 C6 56.9(2) . . . . ?
C1 Ru O2 C9 -51.0(3) . . . . ?
O1 Ru O2 C9 129.7(3) . . . . ?
P1 Ru O2 C9 132.5(6) . . . . ?
P2 Ru O2 C9 -142.1(3) . . . . ?
Cl1 Ru O2 C9 47.1(3) . . . . ?
C1 Ru O2 C8 91.7(3) . . . . ?
O1 Ru O2 C8 -87.6(3) . . . . ?
P1 Ru O2 C8 -84.8(6) . . . . ?
P2 Ru O2 C8 0.6(2) . . . . ?
Cl1 Ru O2 C8 -170.2(3) . . . . ?
C1 Ru P1 C4 -169.50(16) . . . . ?
O1 Ru P1 C4 9.78(14) . . . . ?
O2 Ru P1 C4 7.0(6) . . . . ?
P2 Ru P1 C4 -77.06(13) . . . . ?
Cl1 Ru P1 C4 91.91(13) . . . . ?
C1 Ru P1 C40 -54.20(16) . . . . ?
O1 Ru P1 C40 125.09(14) . . . . ?
O2 Ru P1 C40 122.3(6) . . . . ?
P2 Ru P1 C40 38.25(12) . . . . ?
Cl1 Ru P1 C40 -152.79(12) . . . . ?
C1 Ru P1 C30 79.62(16) . . . . ?
O1 Ru P1 C30 -101.09(13) . . . . ?
O2 Ru P1 C30 -103.9(6) . . . . ?
P2 Ru P1 C30 172.07(11) . . . . ?
Cl1 Ru P1 C30 -18.96(12) . . . . ?
C1 Ru P2 C7 -117.02(19) . . . . ?
O1 Ru P2 C7 65.76(18) . . . . ?
P1 Ru P2 C7 148.67(17) . . . . ?
O2 Ru P2 C7 -23.61(18) . . . . ?
Cl1 Ru P2 C7 10.0(2) . . . . ?
C1 Ru P2 C60 -7.08(16) . . . . ?
O1 Ru P2 C60 175.71(14) . . . . ?
P1 Ru P2 C60 -101.38(13) . . . . ?
O2 Ru P2 C60 86.34(14) . . . . ?
Cl1 Ru P2 C60 119.97(16) . . . . ?
C1 Ru P2 C50 127.54(19) . . . . ?
O1 Ru P2 C50 -49.68(18) . . . . ?
P1 Ru P2 C50 33.23(17) . . . . ?
O2 Ru P2 C50 -139.05(18) . . . . ?
Cl1 Ru P2 C50 -105.4(2) . . . . ?
F3^ P3 F2^ F4^ -101.7(7) . . . . ?
F5^ P3 F2^ F4^ -169.8(7) . . . . ?
F1 P3 F2^ F4^ 93.6(8) . . . . ?
F6 P3 F2^ F4^ 0(3) . . . . ?
F4 P3 F2^ F4^ -1.2(9) . . . . ?
F6^ P3 F2^ F4^ 79(4) . . . . ?
F5 P3 F2^ F4^ 169.7(6) . . . . ?
F3 P3 F2^ F4^ -81.5(7) . . . . ?
F2 P3 F2^ F4^ -153(3) . . . . ?
F1^ P3 F2^ F4^ 82.6(10) . . . . ?
F2^ P3 F3^ F5^ -106.4(10) . . . . ?
F1 P3 F3^ F5^ -32(4) . . . . ?
F4^ P3 F3^ F5^ -171.8(9) . . . . ?
F6 P3 F3^ F5^ 87.1(8) . . . . ?
F4 P3 F3^ F5^ 165.8(8) . . . . ?
F6^ P3 F3^ F5^ 73.5(11) . . . . ?
F5 P3 F3^ F5^ -9.6(10) . . . . ?
F3 P3 F3^ F5^ 163(4) . . . . ?
F2 P3 F3^ F5^ -90.6(8) . . . . ?
F1^ P3 F3^ F5^ 29(11) . . . . ?
F3^ P3 F4^ F2^ 89.2(10) . . . . ?
F5^ P3 F4^ F2^ 52(4) . . . . ?
F1 P3 F4^ F2^ -80.9(9) . . . . ?
F6 P3 F4^ F2^ 179.9(8) . . . . ?
F4 P3 F4^ F2^ 177(2) . . . . ?
F6^ P3 F4^ F2^ -166.9(9) . . . . ?
F5 P3 F4^ F2^ -30.4(18) . . . . ?
F3 P3 F4^ F2^ 97.7(8) . . . . ?
F2 P3 F4^ F2^ 8.9(9) . . . . ?
F1^ P3 F4^ F2^ -93.0(10) . . . . ?
F2^ P3 F5^ F3^ 87.9(10) . . . . ?
F1 P3 F5^ F3^ 171.7(10) . . . . ?
F4^ P3 F5^ F3^ 40(4) . . . . ?
F6 P3 F5^ F3^ -89.6(10) . . . . ?
F4 P3 F5^ F3^ -52(2) . . . . ?
F6^ P3 F5^ F3^ -103.8(11) . . . . ?
F5 P3 F5^ F3^ 154(3) . . . . ?
F3 P3 F5^ F3^ -5.9(12) . . . . ?
F2 P3 F5^ F3^ 82.4(9) . . . . ?
F1^ P3 F5^ F3^ -176.9(12) . . . . ?
O1 Ru C1 C2 179(100) . . . . ?
P1 Ru C1 C2 -166(14) . . . . ?
O2 Ru C1 C2 15(14) . . . . ?
P2 Ru C1 C2 94(14) . . . . ?
Cl1 Ru C1 C2 -72(14) . . . . ?
Ru C1 C2 C3 -123(13) . . . . ?
C1 C2 C3 C10 109(6) . . . . ?
C1 C2 C3 C20 -73(6) . . . . ?
C40 P1 C4 C5 -160.5(2) . . . . ?
C30 P1 C4 C5 84.5(3) . . . . ?
Ru P1 C4 C5 -35.8(3) . . . . ?
C6 O1 C5 C4 177.3(3) . . . . ?
Ru O1 C5 C4 -44.2(3) . . . . ?
P1 C4 C5 O1 53.1(3) . . . . ?
C60 P2 C7 C8 -68.8(3) . . . . ?
C50 P2 C7 C8 174.7(3) . . . . ?
Ru P2 C7 C8 48.9(3) . . . . ?
C9 O2 C8 C7 176.0(3) . . . . ?
Ru O2 C8 C7 30.2(4) . . . . ?
P2 C7 C8 O2 -53.4(4) . . . . ?
C2 C3 C10 C11 157.4(3) . . . . ?
C20 C3 C10 C11 -20.7(5) . . . . ?
C2 C3 C10 C15 -16.5(5) . . . . ?
C20 C3 C10 C15 165.4(3) . . . . ?
C15 C10 C11 C12 2.3(6) . . . . ?
C3 C10 C11 C12 -171.8(4) . . . . ?
C10 C11 C12 C13 -0.9(6) . . . . ?
C11 C12 C13 C14 -1.5(6) . . . . ?
C12 C13 C14 C15 2.4(6) . . . . ?
C13 C14 C15 C10 -1.0(6) . . . . ?
C11 C10 C15 C14 -1.3(5) . . . . ?
C3 C10 C15 C14 172.7(4) . . . . ?
C2 C3 C20 C21 -51.5(5) . . . . ?
C10 C3 C20 C21 126.7(4) . . . . ?
C2 C3 C20 C25 127.1(4) . . . . ?
C10 C3 C20 C25 -54.7(5) . . . . ?
C25 C20 C21 C22 -2.2(5) . . . . ?
C3 C20 C21 C22 176.4(3) . . . . ?
C20 C21 C22 C23 -0.2(6) . . . . ?
C21 C22 C23 C24 1.2(6) . . . . ?
C22 C23 C24 C25 0.1(7) . . . . ?
C23 C24 C25 C20 -2.5(6) . . . . ?
C21 C20 C25 C24 3.5(6) . . . . ?
C3 C20 C25 C24 -175.0(4) . . . . ?
C4 P1 C30 C35 63.0(3) . . . . ?
C40 P1 C30 C35 -49.4(3) . . . . ?
Ru P1 C30 C35 172.7(2) . . . . ?
C4 P1 C30 C31 -167.1(3) . . . . ?
C40 P1 C30 C31 80.5(3) . . . . ?
Ru P1 C30 C31 -57.5(3) . . . . ?
C35 C30 C31 C32 -58.7(4) . . . . ?
P1 C30 C31 C32 168.4(2) . . . . ?
C30 C31 C32 C33 58.0(4) . . . . ?
C31 C32 C33 C34 -55.2(4) . . . . ?
C32 C33 C34 C35 53.3(5) . . . . ?
C31 C30 C35 C34 56.5(4) . . . . ?
P1 C30 C35 C34 -171.9(2) . . . . ?
C33 C34 C35 C30 -54.2(4) . . . . ?
C4 P1 C40 C45 -32.4(3) . . . . ?
C30 P1 C40 C45 78.2(3) . . . . ?
Ru P1 C40 C45 -145.2(2) . . . . ?
C4 P1 C40 C41 -161.1(2) . . . . ?
C30 P1 C40 C41 -50.5(3) . . . . ?
Ru P1 C40 C41 86.1(2) . . . . ?
C45 C40 C41 C42 58.0(4) . . . . ?
P1 C40 C41 C42 -170.4(2) . . . . ?
C40 C41 C42 C43 -56.6(4) . . . . ?
C41 C42 C43 C44 54.2(4) . . . . ?
C42 C43 C44 C45 -53.7(4) . . . . ?
C43 C44 C45 C40 54.6(4) . . . . ?
C41 C40 C45 C44 -56.5(4) . . . . ?
P1 C40 C45 C44 173.8(2) . . . . ?
C7 P2 C50 C55 93.8(4) . . . . ?
C60 P2 C50 C55 -18.8(4) . . . . ?
Ru P2 C50 C55 -155.0(3) . . . . ?
C7 P2 C50 C51 -37.1(3) . . . . ?
C60 P2 C50 C51 -149.6(3) . . . . ?
Ru P2 C50 C51 74.2(3) . . . . ?
C55 C50 C51 C52 58.2(5) . . . . ?
P2 C50 C51 C52 -166.4(3) . . . . ?
C50 C51 C52 C53 -57.1(5) . . . . ?
C51 C52 C53 C54 54.9(6) . . . . ?
C52 C53 C54 C55 -54.1(6) . . . . ?
C53 C54 C55 C50 54.7(5) . . . . ?
C51 C50 C55 C54 -57.7(5) . . . . ?
P2 C50 C55 C54 172.0(3) . . . . ?
C7 P2 C60 C61 -179.9(3) . . . . ?
C50 P2 C60 C61 -65.8(3) . . . . ?
Ru P2 C60 C61 73.6(3) . . . . ?
C7 P2 C60 C65 -50.0(3) . . . . ?
C50 P2 C60 C65 64.1(3) . . . . ?
Ru P2 C60 C65 -156.5(3) . . . . ?
C65 C60 C61 C62 56.0(4) . . . . ?
P2 C60 C61 C62 -171.4(3) . . . . ?
C60 C61 C62 C63 -57.3(4) . . . . ?
C61 C62 C63 C64 57.6(5) . . . . ?
C62 C63 C64 C65 -57.3(5) . . . . ?
C63 C64 C65 C60 55.9(5) . . . . ?
C61 C60 C65 C64 -55.0(4) . . . . ?
P2 C60 C65 C64 174.4(3) . . . . ?
C75 C70 C71 C72 0.7(6) . . . . ?
C76 C70 C71 C72 179.4(4) . . . . ?
C70 C71 C72 C73 -0.1(7) . . . . ?
C71 C72 C73 C74 -0.7(7) . . . . ?
C72 C73 C74 C75 0.7(7) . . . . ?
C73 C74 C75 C70 -0.1(6) . . . . ?
C71 C70 C75 C74 -0.7(6) . . . . ?
C76 C70 C75 C74 -179.4(4) . . . . ?
C75 C70 C76 O3 -178.7(3) . . . . ?
C71 C70 C76 O3 2.7(5) . . . . ?
C75 C70 C76 C77 63.7(4) . . . . ?
C71 C70 C76 C77 -114.9(4) . . . . ?
C75 C70 C76 C80 -59.8(4) . . . . ?
C71 C70 C76 C80 121.5(4) . . . . ?
O3 C76 C77 C78 -13(6) . . . . ?
C80 C76 C77 C78 -133(6) . . . . ?
C70 C76 C77 C78 105(6) . . . . ?
O3 C76 C80 C81 55.7(5) . . . . ?
C77 C76 C80 C81 175.3(4) . . . . ?
C70 C76 C80 C81 -62.8(4) . . . . ?
O3 C76 C80 C85 -120.8(4) . . . . ?
C77 C76 C80 C85 -1.2(5) . . . . ?
C70 C76 C80 C85 120.7(4) . . . . ?
C85 C80 C81 C82 -1.4(6) . . . . ?
C76 C80 C81 C82 -177.9(4) . . . . ?
C80 C81 C82 C83 0.0(7) . . . . ?
C81 C82 C83 C84 -0.6(7) . . . . ?
C82 C83 C84 C85 2.5(7) . . . . ?
C81 C80 C85 C84 3.2(5) . . . . ?
C76 C80 C85 C84 179.6(3) . . . . ?
C83 C84 C85 C80 -3.8(6) . . . . ?
