# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2a
_database_code_depnum_ccdc_archive 'CCDC 1826396'
_audit_update_record             
;
2018-02-28 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H50 B F24 P Ru'
_chemical_formula_weight         1441.91

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'
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.7640(16)
_cell_length_b                   17.7878(19)
_cell_length_c                   25.873(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.531(2)
_cell_angle_gamma                90
_cell_volume                     6158.7(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    14269
_cell_measurement_theta_min      2.6856
_cell_measurement_theta_max      31.2793

_exptl_crystal_description       Prism
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_F_000             2904
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    0.395
_shelx_estimated_absorpt_T_min   0.901
_shelx_estimated_absorpt_T_max   0.936
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_max  0.9597
_exptl_absorpt_correction_T_min  0.9316
_exptl_absorpt_process_details   '(NUMABS; Rigaku, 2005)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            45157
_diffrn_reflns_av_unetI/netI     0.0551
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.005
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             12045
_reflns_number_gt                9867
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RIGAKU CrystalClear'
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_structure_solution    SIR-2014
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2009(Wakita Nemoto et al.)'
_computing_publication_material  'Yadokari-XG 2009(Wakita,Nemoto et al.)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0775P)²+11.4146P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12045
_refine_ls_number_parameters     847
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0844
_refine_ls_R_factor_gt           0.0693
_refine_ls_wR_factor_ref         0.1737
_refine_ls_wR_factor_gt          0.1624
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.63567(3) 0.19092(2) 0.11182(2) 0.02700(12) Uani 1 1 d . . . . .
P1 P 0.73363(8) 0.05179(6) 0.12381(4) 0.0258(2) Uani 1 1 d . . . . .
C1 C 0.7647(3) 0.1340(2) 0.09324(16) 0.0295(9) Uani 1 1 d . . . . .
C2 C 0.6863(4) 0.1484(2) 0.04553(17) 0.0320(10) Uani 1 1 d . . . . .
C3 C 0.5956(4) 0.1104(2) 0.04786(17) 0.0337(10) Uani 1 1 d . . . . .
C4 C 0.6053(3) 0.0679(2) 0.09703(17) 0.0295(9) Uani 1 1 d . . . . .
C5 C 0.5199(4) 0.0264(3) 0.1052(2) 0.0464(13) Uani 1 1 d . . . . .
H5 H 0.5239 -0.0045 0.1356 0.056 Uiso 1 1 calc R U . . .
C6 C 0.4335(5) 0.0339(4) 0.0672(3) 0.0694(19) Uani 1 1 d . . . . .
H6 H 0.3750 0.0096 0.0722 0.083 Uiso 1 1 calc R U . . .
C7 C 0.4271(5) 0.0778(4) 0.0189(3) 0.0643(17) Uani 1 1 d . . . . .
H7 H 0.3647 0.0808 -0.0062 0.077 Uiso 1 1 calc R U . . .
C8 C 0.5019(4) 0.1123(3) 0.0089(2) 0.0440(12) Uani 1 1 d . . . . .
H8 H 0.4959 0.1388 -0.0236 0.053 Uiso 1 1 calc R U . . .
C9 C 0.8680(4) 0.1651(3) 0.1003(2) 0.0445(12) Uani 1 1 d . . . . .
H9 H 0.9110 0.1276 0.0890 0.067 Uiso 1 1 calc R U . . .
H9A H 0.8950 0.1776 0.1378 0.067 Uiso 1 1 calc R U . . .
H9B H 0.8658 0.2106 0.0786 0.067 Uiso 1 1 calc R U . . .
C10 C 0.7024(4) 0.1934(3) -0.00065(18) 0.0439(12) Uani 1 1 d . . . . .
H10 H 0.7080 0.1593 -0.0296 0.066 Uiso 1 1 calc R U . . .
H10A H 0.7640 0.2228 0.0103 0.066 Uiso 1 1 calc R U . . .
H10B H 0.6457 0.2274 -0.0129 0.066 Uiso 1 1 calc R U . . .
C11 C 0.7706(4) 0.0492(2) 0.19532(17) 0.0333(10) Uani 1 1 d . . . . .
C12 C 0.7035(4) 0.0302(3) 0.2252(2) 0.0490(13) Uani 1 1 d . . . . .
H12 H 0.6352 0.0223 0.2082 0.059 Uiso 1 1 calc R U . . .
C13 C 0.7351(6) 0.0223(3) 0.2799(2) 0.0594(17) Uani 1 1 d . . . . .
H13 H 0.6885 0.0090 0.3003 0.071 Uiso 1 1 calc R U . . .
C14 C 0.8337(5) 0.0338(3) 0.3046(2) 0.0568(16) Uani 1 1 d . . . . .
H14 H 0.8555 0.0284 0.3421 0.068 Uiso 1 1 calc R U . . .
C15 C 0.9013(5) 0.0532(4) 0.2749(2) 0.0634(18) Uani 1 1 d . . . . .
H15 H 0.9692 0.0623 0.2921 0.076 Uiso 1 1 calc R U . . .
C16 C 0.8705(4) 0.0593(3) 0.2205(2) 0.0506(14) Uani 1 1 d . . . . .
H16 H 0.9177 0.0705 0.2001 0.061 Uiso 1 1 calc R U . . .
C17 C 0.7850(3) -0.0340(2) 0.10327(17) 0.0289(9) Uani 1 1 d . . . . .
C18 C 0.7971(4) -0.0999(3) 0.13231(19) 0.0425(12) Uani 1 1 d . . . . .
H18 H 0.7833 -0.1005 0.1666 0.051 Uiso 1 1 calc R U . . .
C19 C 0.8289(4) -0.1646(3) 0.1123(2) 0.0458(13) Uani 1 1 d . . . . .
H19 H 0.8347 -0.2097 0.1325 0.055 Uiso 1 1 calc R U . . .
C20 C 0.8522(4) -0.1647(3) 0.0639(2) 0.0400(11) Uani 1 1 d . . . . .
H20 H 0.8730 -0.2097 0.0500 0.048 Uiso 1 1 calc R U . . .
C21 C 0.8451(4) -0.0990(3) 0.0357(2) 0.0440(12) Uani 1 1 d . . . . .
H21 H 0.8635 -0.0981 0.0025 0.053 Uiso 1 1 calc R U . . .
C22 C 0.8116(4) -0.0341(3) 0.05485(19) 0.0412(12) Uani 1 1 d . . . . .
H22 H 0.8067 0.0110 0.0347 0.049 Uiso 1 1 calc R U . . .
C23 C 0.6493(4) 0.2465(3) 0.19186(18) 0.0447(13) Uani 1 1 d . . . . .
C24 C 0.7004(4) 0.2892(2) 0.16083(18) 0.0363(11) Uani 1 1 d . . . . .
C25 C 0.6510(4) 0.3155(2) 0.10992(18) 0.0409(12) Uani 1 1 d . . . . .
C26 C 0.5521(4) 0.2969(3) 0.0877(2) 0.0507(15) Uani 1 1 d . . . . .
C27 C 0.4982(4) 0.2552(4) 0.1165(3) 0.067(2) Uani 1 1 d . . . . .
C28 C 0.5467(5) 0.2268(3) 0.1687(3) 0.067(2) Uani 1 1 d . . . . .
C29 C 0.7003(7) 0.2265(4) 0.2485(2) 0.101(3) Uani 1 1 d . . . . .
H29 H 0.7505 0.1874 0.2485 0.151 Uiso 1 1 calc R U . . .
H29A H 0.6506 0.2078 0.2670 0.151 Uiso 1 1 calc R U . . .
H29B H 0.7330 0.2712 0.2668 0.151 Uiso 1 1 calc R U . . .
C30 C 0.8086(4) 0.3076(3) 0.1840(3) 0.072(2) Uani 1 1 d . . . . .
H30 H 0.8133 0.3529 0.2059 0.108 Uiso 1 1 calc R U . . .
H30A H 0.8425 0.3162 0.1552 0.108 Uiso 1 1 calc R U . . .
H30B H 0.8406 0.2655 0.2060 0.108 Uiso 1 1 calc R U . . .
C31 C 0.7058(7) 0.3654(3) 0.0790(3) 0.086(2) Uani 1 1 d . . . . .
H31 H 0.7108 0.3399 0.0461 0.129 Uiso 1 1 calc R U . . .
H31A H 0.7730 0.3760 0.1005 0.129 Uiso 1 1 calc R U . . .
H31B H 0.6691 0.4127 0.0702 0.129 Uiso 1 1 calc R U . . .
C32 C 0.5013(8) 0.3221(4) 0.0325(3) 0.120(4) Uani 1 1 d . . . . .
H32 H 0.4646 0.2798 0.0128 0.181 Uiso 1 1 calc R U . . .
H32A H 0.5517 0.3399 0.0141 0.181 Uiso 1 1 calc R U . . .
H32B H 0.4547 0.3630 0.0346 0.181 Uiso 1 1 calc R U . . .
C33 C 0.3883(5) 0.2381(5) 0.0937(4) 0.137(5) Uani 1 1 d . . . . .
H33 H 0.3501 0.2851 0.0891 0.205 Uiso 1 1 calc R U . . .
H33A H 0.3637 0.2050 0.1181 0.205 Uiso 1 1 calc R U . . .
H33B H 0.3803 0.2131 0.0592 0.205 Uiso 1 1 calc R U . . .
C34 C 0.4917(9) 0.1764(4) 0.1994(5) 0.152(6) Uani 1 1 d . . . . .
H34 H 0.4658 0.1324 0.1777 0.227 Uiso 1 1 calc R U . . .
H34A H 0.4361 0.2042 0.2080 0.227 Uiso 1 1 calc R U . . .
H34B H 0.5377 0.1599 0.2323 0.227 Uiso 1 1 calc R U . . .
B1 B 0.3427(3) 0.1725(3) 0.35998(18) 0.0239(9) Uani 1 1 d . . . . .
C35 C 0.2344(3) 0.1649(2) 0.37620(15) 0.0242(8) Uani 1 1 d . . . . .
C36 C 0.1610(3) 0.2206(2) 0.36567(15) 0.0254(8) Uani 1 1 d . . . . .
H36 H 0.1764 0.2675 0.3518 0.030 Uiso 1 1 calc R U . . .
C37 C 0.0660(3) 0.2099(2) 0.37474(16) 0.0292(9) Uani 1 1 d . . . . .
C38 C 0.0409(3) 0.1425(2) 0.39524(17) 0.0316(9) Uani 1 1 d . . . . .
H38 H -0.0235 0.1350 0.4018 0.038 Uiso 1 1 calc R U . . .
C39 C 0.1126(3) 0.0862(2) 0.40580(16) 0.0299(9) Uani 1 1 d . . . . .
C40 C 0.2065(3) 0.0969(2) 0.39608(15) 0.0274(9) Uani 1 1 d . . . . .
H40 H 0.2535 0.0569 0.4031 0.033 Uiso 1 1 calc R U . . .
C41 C -0.0099(3) 0.2708(3) 0.3603(2) 0.0412(11) Uani 1 1 d . . . . .
F1 F -0.0428(3) 0.2790(2) 0.30746(13) 0.0773(12) Uani 1 1 d . . . . .
F2 F 0.0265(2) 0.33911(15) 0.37667(12) 0.0484(7) Uani 1 1 d . . . . .
F3 F -0.0881(3) 0.2616(2) 0.3807(2) 0.0975(16) Uani 1 1 d . . . . .
C42 C 0.0878(3) 0.0126(3) 0.42611(18) 0.0373(11) Uani 1 1 d . . . . .
F4 F -0.0009(3) 0.0123(2) 0.4392(2) 0.0943(15) Uani 1 1 d . . . . .
F5 F 0.1493(3) -0.0068(2) 0.47087(15) 0.0870(13) Uani 1 1 d . . . . .
F6 F 0.0823(5) -0.0409(2) 0.39294(17) 0.127(2) Uani 1 1 d . . . . .
C43 C 0.4376(3) 0.1448(2) 0.40674(16) 0.0246(8) Uani 1 1 d . . . . .
C44 C 0.4358(3) 0.1327(2) 0.45990(16) 0.0269(9) Uani 1 1 d . . . . .
H44 H 0.3739 0.1358 0.4700 0.032 Uiso 1 1 calc R U . . .
C45 C 0.5226(3) 0.1160(2) 0.49888(17) 0.0302(9) Uani 1 1 d . . . . .
C46 C 0.6142(3) 0.1108(2) 0.48566(17) 0.0311(9) Uani 1 1 d . . . . .
H46 H 0.6730 0.0992 0.5120 0.037 Uiso 1 1 calc R U . . .
C47 C 0.6186(3) 0.1231(2) 0.43339(16) 0.0268(9) Uani 1 1 d . . . . .
C48 C 0.5315(3) 0.1399(2) 0.39494(16) 0.0245(8) Uani 1 1 d . . . . .
H48 H 0.5364 0.1482 0.3594 0.029 Uiso 1 1 calc R U . . .
C49 C 0.5165(4) 0.1056(3) 0.55540(18) 0.0385(11) Uani 1 1 d . . . . .
F7 F 0.5049(4) 0.16927(19) 0.57919(13) 0.0929(15) Uani 1 1 d . . . . .
F8 F 0.4375(3) 0.0653(2) 0.56009(13) 0.0797(12) Uani 1 1 d . . . . .
F9 F 0.5928(3) 0.0706(3) 0.58488(14) 0.1039(17) Uani 1 1 d . . . . .
C50 C 0.7161(3) 0.1167(3) 0.41854(18) 0.0345(10) Uani 1 1 d . . . . .
F10 F 0.7448(2) 0.04496(16) 0.41600(13) 0.0550(8) Uani 1 1 d . . . . .
F11 F 0.7901(2) 0.1508(2) 0.45329(12) 0.0631(9) Uani 1 1 d . . . . .
F12 F 0.71622(19) 0.14653(15) 0.37096(10) 0.0383(6) Uani 1 1 d . . . . .
C51 C 0.3293(3) 0.1231(2) 0.30571(16) 0.0240(8) Uani 1 1 d . . . . .
C52 C 0.3759(3) 0.0537(2) 0.30187(16) 0.0269(9) Uani 1 1 d . . . . .
H52 H 0.4206 0.0338 0.3325 0.032 Uiso 1 1 calc R U . . .
C53 C 0.3585(3) 0.0132(2) 0.25461(16) 0.0288(9) Uani 1 1 d . . . . .
C54 C 0.2960(3) 0.0412(2) 0.20877(17) 0.0332(10) Uani 1 1 d . . . . .
H54 H 0.2867 0.0148 0.1761 0.040 Uiso 1 1 calc R U . . .
C55 C 0.2475(3) 0.1083(2) 0.21166(17) 0.0312(9) Uani 1 1 d . . . . .
C56 C 0.2626(3) 0.1475(2) 0.25909(16) 0.0276(9) Uani 1 1 d . . . . .
H56 H 0.2263 0.1927 0.2601 0.033 Uiso 1 1 calc R U . . .
C57 C 0.4117(4) -0.0598(3) 0.25234(18) 0.0370(11) Uani 1 1 d . . . . .
F13 F 0.4341(6) -0.0953(3) 0.2954(2) 0.182(4) Uani 1 1 d . . . . .
F14 F 0.4956(3) -0.0530(2) 0.2395(3) 0.129(2) Uani 1 1 d . . . . .
F15 F 0.3644(4) -0.1062(3) 0.2180(3) 0.162(3) Uani 1 1 d . . . . .
C58 C 0.1762(4) 0.1385(3) 0.16422(19) 0.0417(11) Uani 1 1 d . . . . .
F16 F 0.1981(3) 0.11766(19) 0.11817(11) 0.0595(9) Uani 1 1 d . . . . .
F17 F 0.1720(3) 0.21327(17) 0.16266(12) 0.0667(10) Uani 1 1 d . . . . .
F18 F 0.0823(2) 0.11416(19) 0.16063(12) 0.0576(8) Uani 1 1 d . . . . .
C59 C 0.3662(3) 0.2611(2) 0.35036(15) 0.0241(8) Uani 1 1 d . . . . .
C60 C 0.3847(3) 0.2921(2) 0.30401(16) 0.0280(9) Uani 1 1 d . . . . .
H60 H 0.3832 0.2598 0.2746 0.034 Uiso 1 1 calc R U . . .
C61 C 0.4049(3) 0.3673(2) 0.29878(17) 0.0292(9) Uani 1 1 d . . . . .
C62 C 0.4101(3) 0.4171(2) 0.34061(16) 0.0281(9) Uani 1 1 d . . . . .
H62 H 0.4242 0.4689 0.3373 0.034 Uiso 1 1 calc R U . . .
C63 C 0.3938(3) 0.3876(2) 0.38765(15) 0.0239(8) Uani 1 1 d . . . . .
C64 C 0.3721(3) 0.3123(2) 0.39188(15) 0.0229(8) Uani 1 1 d . . . . .
H64 H 0.3607 0.2946 0.4246 0.028 Uiso 1 1 calc R U . . .
C65 C 0.4220(4) 0.3948(3) 0.2471(2) 0.0458(13) Uani 1 1 d . . . . .
F19 F 0.5155(3) 0.38214(19) 0.24239(15) 0.0743(11) Uani 1 1 d . . . . .
F20 F 0.3631(4) 0.3614(2) 0.20515(12) 0.0885(14) Uani 1 1 d . . . . .
F21 F 0.4076(3) 0.46922(15) 0.24036(11) 0.0518(8) Uani 1 1 d . . . . .
C66 C 0.3931(4) 0.4399(2) 0.43284(17) 0.0339(10) Uani 1 1 d . . . . .
F22 F 0.4491(2) 0.50073(14) 0.43383(10) 0.0417(6) Uani 1 1 d . . . . .
F23 F 0.2984(2) 0.46587(15) 0.43089(11) 0.0424(6) Uani 1 1 d . . . . .
F24 F 0.4223(2) 0.40630(14) 0.48058(10) 0.0426(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ru1 C2 2.135(4) . ?
Ru1 C3 2.160(4) . ?
Ru1 C1 2.194(4) . ?
Ru1 C28 2.219(5) . ?
Ru1 C24 2.220(4) . ?
Ru1 C26 2.221(5) . ?
Ru1 C25 2.227(4) . ?
Ru1 C27 2.238(5) . ?
Ru1 C4 2.244(4) . ?
Ru1 C23 2.262(4) . ?
Ru1 P1 2.8006(11) . ?
P1 C1 1.762(4) . ?
P1 C4 1.763(4) . ?
P1 C11 1.801(4) . ?
P1 C17 1.813(4) . ?
C1 C2 1.460(6) . ?
C1 C9 1.497(7) . ?
C2 C3 1.433(7) . ?
C2 C10 1.497(6) . ?
C3 C8 1.439(6) . ?
C3 C4 1.459(6) . ?
C4 C5 1.446(7) . ?
C5 C6 1.363(9) . ?
C6 C7 1.459(10) . ?
C7 C8 1.275(8) . ?
C11 C12 1.379(7) . ?
C11 C16 1.388(7) . ?
C12 C13 1.388(7) . ?
C13 C14 1.374(9) . ?
C14 C15 1.381(9) . ?
C15 C16 1.377(7) . ?
C17 C18 1.381(6) . ?
C17 C22 1.385(6) . ?
C18 C19 1.374(6) . ?
C19 C20 1.364(7) . ?
C20 C21 1.370(7) . ?
C21 C22 1.378(6) . ?
C23 C24 1.407(7) . ?
C23 C28 1.443(9) . ?
C23 C29 1.512(8) . ?
C24 C25 1.413(6) . ?
C24 C30 1.506(7) . ?
C25 C26 1.388(8) . ?
C25 C31 1.511(8) . ?
C26 C27 1.384(10) . ?
C26 C32 1.503(8) . ?
C27 C28 1.451(10) . ?
C27 C33 1.520(8) . ?
C28 C34 1.512(9) . ?
B1 C51 1.630(6) . ?
B1 C43 1.634(6) . ?
B1 C59 1.639(6) . ?
B1 C35 1.646(6) . ?
C35 C36 1.396(6) . ?
C35 C40 1.402(6) . ?
C36 C37 1.395(6) . ?
C37 C38 1.388(6) . ?
C37 C41 1.490(6) . ?
C38 C39 1.388(6) . ?
C39 C40 1.386(6) . ?
C39 C42 1.480(6) . ?
C41 F3 1.314(6) . ?
C41 F1 1.344(6) . ?
C41 F2 1.345(6) . ?
C42 F6 1.271(6) . ?
C42 F5 1.311(5) . ?
C42 F4 1.341(6) . ?
C43 C44 1.398(6) . ?
C43 C48 1.400(6) . ?
C44 C45 1.403(6) . ?
C45 C46 1.384(6) . ?
C45 C49 1.496(6) . ?
C46 C47 1.385(6) . ?
C47 C48 1.399(5) . ?
C47 C50 1.485(6) . ?
C49 F9 1.304(6) . ?
C49 F7 1.316(6) . ?
C49 F8 1.331(6) . ?
C50 F11 1.336(5) . ?
C50 F12 1.341(5) . ?
C50 F10 1.342(5) . ?
C51 C56 1.403(6) . ?
C51 C52 1.405(6) . ?
C52 C53 1.390(6) . ?
C53 C54 1.385(6) . ?
C53 C57 1.499(6) . ?
C54 C55 1.377(6) . ?
C55 C56 1.384(6) . ?
C55 C58 1.482(6) . ?
C57 F13 1.255(6) . ?
C57 F15 1.274(6) . ?
C57 F14 1.279(6) . ?
C58 F17 1.331(6) . ?
C58 F18 1.346(6) . ?
C58 F16 1.348(6) . ?
C59 C60 1.396(6) . ?
C59 C64 1.396(5) . ?
C60 C61 1.379(6) . ?
C61 C62 1.387(6) . ?
C61 C65 1.493(6) . ?
C62 C63 1.391(6) . ?
C63 C64 1.381(5) . ?
C63 C66 1.496(6) . ?
C65 F20 1.333(6) . ?
C65 F19 1.340(6) . ?
C65 F21 1.343(5) . ?
C66 F22 1.326(5) . ?
C66 F24 1.346(5) . ?
C66 F23 1.372(5) . ?

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
C2 Ru1 C3 38.97(18) . . ?
C2 Ru1 C1 39.39(16) . . ?
C3 Ru1 C1 66.46(17) . . ?
C2 Ru1 C28 165.9(2) . . ?
C3 Ru1 C28 128.2(2) . . ?
C1 Ru1 C28 151.6(2) . . ?
C2 Ru1 C24 125.10(18) . . ?
C3 Ru1 C24 162.92(19) . . ?
C1 Ru1 C24 104.58(17) . . ?
C28 Ru1 C24 66.7(2) . . ?
C2 Ru1 C26 108.63(19) . . ?
C3 Ru1 C26 108.93(17) . . ?
C1 Ru1 C26 136.3(2) . . ?
C28 Ru1 C26 67.2(2) . . ?
C24 Ru1 C26 66.71(18) . . ?
C2 Ru1 C25 106.51(17) . . ?
C3 Ru1 C25 130.61(17) . . ?
C1 Ru1 C25 111.65(18) . . ?
C28 Ru1 C25 78.4(2) . . ?
C24 Ru1 C25 37.05(17) . . ?
C26 Ru1 C25 36.4(2) . . ?
C2 Ru1 C27 131.6(2) . . ?
C3 Ru1 C27 108.23(18) . . ?
C1 Ru1 C27 170.4(2) . . ?
C28 Ru1 C27 38.0(3) . . ?
C24 Ru1 C27 78.34(19) . . ?
C26 Ru1 C27 36.2(3) . . ?
C25 Ru1 C27 65.1(2) . . ?
C2 Ru1 C4 66.45(16) . . ?
C3 Ru1 C4 38.65(16) . . ?
C1 Ru1 C4 68.91(16) . . ?
C28 Ru1 C4 106.51(18) . . ?
C24 Ru1 C4 154.04(17) . . ?
C26 Ru1 C4 135.76(18) . . ?
C25 Ru1 C4 168.87(17) . . ?
C27 Ru1 C4 112.4(2) . . ?
C2 Ru1 C23 156.5(2) . . ?
C3 Ru1 C23 160.49(19) . . ?
C1 Ru1 C23 120.28(19) . . ?
C28 Ru1 C23 37.5(2) . . ?
C24 Ru1 C23 36.57(19) . . ?
C26 Ru1 C23 79.25(18) . . ?
C25 Ru1 C23 66.27(17) . . ?
C27 Ru1 C23 67.5(2) . . ?
C4 Ru1 C23 123.67(17) . . ?
C2 Ru1 P1 62.41(11) . . ?
C3 Ru1 P1 61.91(12) . . ?
C1 Ru1 P1 38.98(11) . . ?
C28 Ru1 P1 120.47(19) . . ?
C24 Ru1 P1 120.94(12) . . ?
C26 Ru1 P1 170.27(14) . . ?
C25 Ru1 P1 146.72(15) . . ?
C27 Ru1 P1 146.8(2) . . ?
C4 Ru1 P1 38.98(11) . . ?
C23 Ru1 P1 110.48(13) . . ?
C1 P1 C4 90.9(2) . . ?
C1 P1 C11 116.2(2) . . ?
C4 P1 C11 115.1(2) . . ?
C1 P1 C17 114.49(19) . . ?
C4 P1 C17 116.43(19) . . ?
C11 P1 C17 104.1(2) . . ?
C1 P1 Ru1 51.56(14) . . ?
C4 P1 Ru1 53.18(13) . . ?
C11 P1 Ru1 98.57(14) . . ?
C17 P1 Ru1 157.22(14) . . ?
C2 C1 C9 122.1(4) . . ?
C2 C1 P1 108.5(3) . . ?
C9 C1 P1 125.2(3) . . ?
C2 C1 Ru1 68.1(2) . . ?
C9 C1 Ru1 126.7(3) . . ?
P1 C1 Ru1 89.46(18) . . ?
C3 C2 C1 111.1(4) . . ?
C3 C2 C10 125.3(4) . . ?
C1 C2 C10 123.4(4) . . ?
C3 C2 Ru1 71.5(2) . . ?
C1 C2 Ru1 72.5(2) . . ?
C10 C2 Ru1 126.1(3) . . ?
C2 C3 C8 127.3(4) . . ?
C2 C3 C4 112.2(4) . . ?
C8 C3 C4 120.4(4) . . ?
C2 C3 Ru1 69.6(2) . . ?
C8 C3 Ru1 123.2(3) . . ?
C4 C3 Ru1 73.8(2) . . ?
C5 C4 C3 118.8(4) . . ?
C5 C4 P1 129.3(4) . . ?
C3 C4 P1 107.8(3) . . ?
C5 C4 Ru1 126.8(3) . . ?
C3 C4 Ru1 67.6(2) . . ?
P1 C4 Ru1 87.84(17) . . ?
C6 C5 C4 116.5(5) . . ?
C5 C6 C7 122.6(6) . . ?
C8 C7 C6 122.7(6) . . ?
C7 C8 C3 118.8(5) . . ?
C12 C11 C16 119.3(4) . . ?
C12 C11 P1 121.1(4) . . ?
C16 C11 P1 119.3(4) . . ?
C11 C12 C13 120.4(6) . . ?
C14 C13 C12 119.9(6) . . ?
C13 C14 C15 120.0(5) . . ?
C16 C15 C14 120.1(6) . . ?
C15 C16 C11 120.3(5) . . ?
C18 C17 C22 117.9(4) . . ?
C18 C17 P1 124.1(3) . . ?
C22 C17 P1 118.0(3) . . ?
C19 C18 C17 121.0(4) . . ?
C20 C19 C18 120.7(4) . . ?
C19 C20 C21 119.0(4) . . ?
C20 C21 C22 120.7(4) . . ?
C21 C22 C17 120.5(4) . . ?
C24 C23 C28 117.8(5) . . ?
C24 C23 C29 120.0(6) . . ?
C28 C23 C29 122.2(6) . . ?
C24 C23 Ru1 70.1(2) . . ?
C28 C23 Ru1 69.6(3) . . ?
C29 C23 Ru1 134.8(4) . . ?
C23 C24 C25 121.0(5) . . ?
C23 C24 C30 118.0(5) . . ?
C25 C24 C30 121.0(5) . . ?
C23 C24 Ru1 73.3(3) . . ?
C25 C24 Ru1 71.8(2) . . ?
C30 C24 Ru1 128.7(3) . . ?
C26 C25 C24 121.3(5) . . ?
C26 C25 C31 118.9(5) . . ?
C24 C25 C31 119.8(6) . . ?
C26 C25 Ru1 71.6(3) . . ?
C24 C25 Ru1 71.2(2) . . ?
C31 C25 Ru1 131.2(4) . . ?
C27 C26 C25 120.0(5) . . ?
C27 C26 C32 118.9(7) . . ?
C25 C26 C32 121.0(7) . . ?
C27 C26 Ru1 72.6(3) . . ?
C25 C26 Ru1 72.1(3) . . ?
C32 C26 Ru1 128.0(4) . . ?
C26 C27 C28 120.1(5) . . ?
C26 C27 C33 120.5(8) . . ?
C28 C27 C33 119.4(8) . . ?
C26 C27 Ru1 71.2(3) . . ?
C28 C27 Ru1 70.3(3) . . ?
C33 C27 Ru1 130.8(4) . . ?
C23 C28 C27 119.6(5) . . ?
C23 C28 C34 119.2(8) . . ?
C27 C28 C34 121.2(8) . . ?
C23 C28 Ru1 72.9(3) . . ?
C27 C28 Ru1 71.7(3) . . ?
C34 C28 Ru1 126.8(4) . . ?
C51 B1 C43 112.7(3) . . ?
C51 B1 C59 112.0(3) . . ?
C43 B1 C59 104.5(3) . . ?
C51 B1 C35 104.3(3) . . ?
C43 B1 C35 113.6(3) . . ?
C59 B1 C35 109.9(3) . . ?
C36 C35 C40 115.8(4) . . ?
C36 C35 B1 123.3(4) . . ?
C40 C35 B1 120.5(4) . . ?
C37 C36 C35 122.3(4) . . ?
C38 C37 C36 120.6(4) . . ?
C38 C37 C41 120.1(4) . . ?
C36 C37 C41 119.3(4) . . ?
C37 C38 C39 118.0(4) . . ?
C40 C39 C38 121.0(4) . . ?
C40 C39 C42 119.3(4) . . ?
C38 C39 C42 119.7(4) . . ?
C39 C40 C35 122.2(4) . . ?
F3 C41 F1 108.1(4) . . ?
F3 C41 F2 105.4(4) . . ?
F1 C41 F2 103.5(4) . . ?
F3 C41 C37 113.6(4) . . ?
F1 C41 C37 112.6(4) . . ?
F2 C41 C37 112.9(4) . . ?
F6 C42 F5 109.0(5) . . ?
F6 C42 F4 104.7(5) . . ?
F5 C42 F4 102.3(4) . . ?
F6 C42 C39 113.8(4) . . ?
F5 C42 C39 113.0(4) . . ?
F4 C42 C39 113.1(4) . . ?
C44 C43 C48 115.7(4) . . ?
C44 C43 B1 125.5(4) . . ?
C48 C43 B1 118.4(3) . . ?
C43 C44 C45 122.2(4) . . ?
C46 C45 C44 120.5(4) . . ?
C46 C45 C49 119.8(4) . . ?
C44 C45 C49 119.7(4) . . ?
C45 C46 C47 118.8(4) . . ?
C46 C47 C48 120.2(4) . . ?
C46 C47 C50 119.3(4) . . ?
C48 C47 C50 120.5(4) . . ?
C47 C48 C43 122.7(4) . . ?
F9 C49 F7 107.9(5) . . ?
F9 C49 F8 104.6(4) . . ?
F7 C49 F8 103.3(4) . . ?
F9 C49 C45 114.1(4) . . ?
F7 C49 C45 113.1(4) . . ?
F8 C49 C45 112.9(4) . . ?
F11 C50 F12 105.9(4) . . ?
F11 C50 F10 106.2(4) . . ?
F12 C50 F10 105.5(4) . . ?
F11 C50 C47 112.6(4) . . ?
F12 C50 C47 113.7(4) . . ?
F10 C50 C47 112.3(4) . . ?
C56 C51 C52 115.4(4) . . ?
C56 C51 B1 119.5(3) . . ?
C52 C51 B1 125.0(4) . . ?
C53 C52 C51 121.9(4) . . ?
C54 C53 C52 120.8(4) . . ?
C54 C53 C57 119.3(4) . . ?
C52 C53 C57 119.9(4) . . ?
C55 C54 C53 118.5(4) . . ?
C54 C55 C56 120.7(4) . . ?
C54 C55 C58 120.3(4) . . ?
C56 C55 C58 118.9(4) . . ?
C55 C56 C51 122.5(4) . . ?
F13 C57 F15 105.9(6) . . ?
F13 C57 F14 103.2(6) . . ?
F15 C57 F14 103.1(5) . . ?
F13 C57 C53 114.9(4) . . ?
F15 C57 C53 114.4(4) . . ?
F14 C57 C53 113.9(4) . . ?
F17 C58 F18 106.6(4) . . ?
F17 C58 F16 105.4(4) . . ?
F18 C58 F16 105.1(4) . . ?
F17 C58 C55 113.8(4) . . ?
F18 C58 C55 112.3(4) . . ?
F16 C58 C55 113.0(4) . . ?
C60 C59 C64 114.4(4) . . ?
C60 C59 B1 126.3(3) . . ?
C64 C59 B1 119.2(3) . . ?
C61 C60 C59 123.3(4) . . ?
C60 C61 C62 121.2(4) . . ?
C60 C61 C65 118.9(4) . . ?
C62 C61 C65 119.9(4) . . ?
C61 C62 C63 116.9(4) . . ?
C64 C63 C62 121.2(4) . . ?
C64 C63 C66 120.0(4) . . ?
C62 C63 C66 118.7(4) . . ?
C63 C64 C59 123.1(4) . . ?
F20 C65 F19 105.3(4) . . ?
F20 C65 F21 106.9(5) . . ?
F19 C65 F21 105.7(4) . . ?
F20 C65 C61 112.9(4) . . ?
F19 C65 C61 112.4(5) . . ?
F21 C65 C61 112.9(4) . . ?
F22 C66 F24 107.3(3) . . ?
F22 C66 F23 105.6(3) . . ?
F24 C66 F23 105.1(4) . . ?
F22 C66 C63 114.3(4) . . ?
F24 C66 C63 112.7(3) . . ?
F23 C66 C63 111.1(3) . . ?

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
C4 P1 C1 C2 -27.7(3) . . . . ?
C11 P1 C1 C2 -146.3(3) . . . . ?
C17 P1 C1 C2 92.1(3) . . . . ?
Ru1 P1 C1 C2 -66.7(3) . . . . ?
C4 P1 C1 C9 175.4(4) . . . . ?
C11 P1 C1 C9 56.7(4) . . . . ?
C17 P1 C1 C9 -64.9(4) . . . . ?
Ru1 P1 C1 C9 136.4(4) . . . . ?
C4 P1 C1 Ru1 39.02(18) . . . . ?
C11 P1 C1 Ru1 -79.7(2) . . . . ?
C17 P1 C1 Ru1 158.75(17) . . . . ?
C9 C1 C2 C3 178.1(4) . . . . ?
P1 C1 C2 C3 20.3(4) . . . . ?
Ru1 C1 C2 C3 -61.3(3) . . . . ?
C9 C1 C2 C10 1.6(6) . . . . ?
P1 C1 C2 C10 -156.2(3) . . . . ?
Ru1 C1 C2 C10 122.2(4) . . . . ?
C9 C1 C2 Ru1 -120.5(4) . . . . ?
P1 C1 C2 Ru1 81.7(2) . . . . ?
C1 C2 C3 C8 178.7(4) . . . . ?
C10 C2 C3 C8 -4.8(7) . . . . ?
Ru1 C2 C3 C8 116.8(4) . . . . ?
C1 C2 C3 C4 0.3(5) . . . . ?
C10 C2 C3 C4 176.7(4) . . . . ?
Ru1 C2 C3 C4 -61.7(3) . . . . ?
C1 C2 C3 Ru1 62.0(3) . . . . ?
C10 C2 C3 Ru1 -121.6(4) . . . . ?
C2 C3 C4 C5 -180.0(4) . . . . ?
C8 C3 C4 C5 1.5(6) . . . . ?
Ru1 C3 C4 C5 120.8(4) . . . . ?
C2 C3 C4 P1 -20.6(4) . . . . ?
C8 C3 C4 P1 160.8(3) . . . . ?
Ru1 C3 C4 P1 -79.9(2) . . . . ?
C2 C3 C4 Ru1 59.3(3) . . . . ?
C8 C3 C4 Ru1 -119.3(4) . . . . ?
C1 P1 C4 C5 -176.0(4) . . . . ?
C11 P1 C4 C5 -56.3(4) . . . . ?
C17 P1 C4 C5 65.9(5) . . . . ?
Ru1 P1 C4 C5 -138.0(5) . . . . ?
C1 P1 C4 C3 27.6(3) . . . . ?
C11 P1 C4 C3 147.2(3) . . . . ?
C17 P1 C4 C3 -90.5(3) . . . . ?
Ru1 P1 C4 C3 65.6(2) . . . . ?
C1 P1 C4 Ru1 -38.03(17) . . . . ?
C11 P1 C4 Ru1 81.7(2) . . . . ?
C17 P1 C4 Ru1 -156.08(16) . . . . ?
C3 C4 C5 C6 -3.9(6) . . . . ?
P1 C4 C5 C6 -158.1(4) . . . . ?
Ru1 C4 C5 C6 78.5(5) . . . . ?
C4 C5 C6 C7 3.4(8) . . . . ?
C5 C6 C7 C8 -0.1(9) . . . . ?
C6 C7 C8 C3 -2.5(8) . . . . ?
C2 C3 C8 C7 -176.5(5) . . . . ?
C4 C3 C8 C7 1.8(7) . . . . ?
Ru1 C3 C8 C7 -88.0(6) . . . . ?
C1 P1 C11 C12 129.9(4) . . . . ?
C4 P1 C11 C12 25.5(5) . . . . ?
C17 P1 C11 C12 -103.2(4) . . . . ?
Ru1 P1 C11 C12 78.7(4) . . . . ?
C1 P1 C11 C16 -56.6(4) . . . . ?
C4 P1 C11 C16 -161.0(4) . . . . ?
C17 P1 C11 C16 70.3(4) . . . . ?
Ru1 P1 C11 C16 -107.8(4) . . . . ?
C16 C11 C12 C13 1.1(8) . . . . ?
P1 C11 C12 C13 174.6(4) . . . . ?
C11 C12 C13 C14 0.2(8) . . . . ?
C12 C13 C14 C15 0.1(9) . . . . ?
C13 C14 C15 C16 -1.5(9) . . . . ?
C14 C15 C16 C11 2.8(9) . . . . ?
C12 C11 C16 C15 -2.5(8) . . . . ?
P1 C11 C16 C15 -176.2(4) . . . . ?
C1 P1 C17 C18 159.3(4) . . . . ?
C4 P1 C17 C18 -96.6(5) . . . . ?
C11 P1 C17 C18 31.3(5) . . . . ?
Ru1 P1 C17 C18 -153.6(3) . . . . ?
C1 P1 C17 C22 -22.3(5) . . . . ?
C4 P1 C17 C22 81.9(4) . . . . ?
C11 P1 C17 C22 -150.3(4) . . . . ?
Ru1 P1 C17 C22 24.9(7) . . . . ?
C22 C17 C18 C19 -3.8(8) . . . . ?
P1 C17 C18 C19 174.6(4) . . . . ?
C17 C18 C19 C20 2.0(9) . . . . ?
C18 C19 C20 C21 1.1(9) . . . . ?
C19 C20 C21 C22 -2.3(8) . . . . ?
C20 C21 C22 C17 0.4(8) . . . . ?
C18 C17 C22 C21 2.6(8) . . . . ?
P1 C17 C22 C21 -175.9(4) . . . . ?
C28 C23 C24 C25 3.5(6) . . . . ?
C29 C23 C24 C25 -173.1(4) . . . . ?
Ru1 C23 C24 C25 55.9(4) . . . . ?
C28 C23 C24 C30 -177.9(4) . . . . ?
C29 C23 C24 C30 5.5(7) . . . . ?
Ru1 C23 C24 C30 -125.5(4) . . . . ?
C28 C23 C24 Ru1 -52.4(4) . . . . ?
C29 C23 C24 Ru1 131.0(4) . . . . ?
C23 C24 C25 C26 -3.4(7) . . . . ?
C30 C24 C25 C26 178.0(4) . . . . ?
Ru1 C24 C25 C26 53.3(4) . . . . ?
C23 C24 C25 C31 176.1(4) . . . . ?
C30 C24 C25 C31 -2.5(7) . . . . ?
Ru1 C24 C25 C31 -127.3(4) . . . . ?
C23 C24 C25 Ru1 -56.6(4) . . . . ?
C30 C24 C25 Ru1 124.8(4) . . . . ?
C24 C25 C26 C27 3.5(7) . . . . ?
C31 C25 C26 C27 -175.9(5) . . . . ?
Ru1 C25 C26 C27 56.6(4) . . . . ?
C24 C25 C26 C32 -177.2(5) . . . . ?
C31 C25 C26 C32 3.4(7) . . . . ?
Ru1 C25 C26 C32 -124.1(5) . . . . ?
C24 C25 C26 Ru1 -53.1(4) . . . . ?
C31 C25 C26 Ru1 127.5(4) . . . . ?
C25 C26 C27 C28 -3.9(7) . . . . ?
C32 C26 C27 C28 176.8(5) . . . . ?
Ru1 C26 C27 C28 52.5(4) . . . . ?
C25 C26 C27 C33 176.7(5) . . . . ?
C32 C26 C27 C33 -2.6(8) . . . . ?
Ru1 C26 C27 C33 -126.9(5) . . . . ?
C25 C26 C27 Ru1 -56.4(4) . . . . ?
C32 C26 C27 Ru1 124.3(5) . . . . ?
C24 C23 C28 C27 -3.9(7) . . . . ?
C29 C23 C28 C27 172.6(5) . . . . ?
Ru1 C23 C28 C27 -56.5(4) . . . . ?
C24 C23 C28 C34 175.7(5) . . . . ?
C29 C23 C28 C34 -7.8(7) . . . . ?
Ru1 C23 C28 C34 123.1(5) . . . . ?
C24 C23 C28 Ru1 52.6(4) . . . . ?
C29 C23 C28 Ru1 -130.9(5) . . . . ?
C26 C27 C28 C23 4.1(7) . . . . ?
C33 C27 C28 C23 -176.4(5) . . . . ?
Ru1 C27 C28 C23 57.1(4) . . . . ?
C26 C27 C28 C34 -175.4(5) . . . . ?
C33 C27 C28 C34 4.0(8) . . . . ?
Ru1 C27 C28 C34 -122.5(5) . . . . ?
C26 C27 C28 Ru1 -52.9(4) . . . . ?
C33 C27 C28 Ru1 126.5(5) . . . . ?
C51 B1 C35 C36 -100.5(4) . . . . ?
C43 B1 C35 C36 136.4(4) . . . . ?
C59 B1 C35 C36 19.7(5) . . . . ?
C51 B1 C35 C40 71.8(4) . . . . ?
C43 B1 C35 C40 -51.2(5) . . . . ?
C59 B1 C35 C40 -167.9(3) . . . . ?
C40 C35 C36 C37 0.6(6) . . . . ?
B1 C35 C36 C37 173.2(4) . . . . ?
C35 C36 C37 C38 0.4(6) . . . . ?
C35 C36 C37 C41 -177.3(4) . . . . ?
C36 C37 C38 C39 -0.6(6) . . . . ?
C41 C37 C38 C39 177.1(4) . . . . ?
C37 C38 C39 C40 -0.1(6) . . . . ?
C37 C38 C39 C42 -178.1(4) . . . . ?
C38 C39 C40 C35 1.2(6) . . . . ?
C42 C39 C40 C35 179.2(4) . . . . ?
C36 C35 C40 C39 -1.3(6) . . . . ?
B1 C35 C40 C39 -174.2(4) . . . . ?
C38 C37 C41 F3 16.0(7) . . . . ?
C36 C37 C41 F3 -166.2(5) . . . . ?
C38 C37 C41 F1 -107.2(5) . . . . ?
C36 C37 C41 F1 70.6(6) . . . . ?
C38 C37 C41 F2 136.0(4) . . . . ?
C36 C37 C41 F2 -46.2(6) . . . . ?
C40 C39 C42 F6 -67.5(6) . . . . ?
C38 C39 C42 F6 110.6(6) . . . . ?
C40 C39 C42 F5 57.5(6) . . . . ?
C38 C39 C42 F5 -124.5(5) . . . . ?
C40 C39 C42 F4 173.2(4) . . . . ?
C38 C39 C42 F4 -8.8(6) . . . . ?
C51 B1 C43 C44 -133.3(4) . . . . ?
C59 B1 C43 C44 104.9(4) . . . . ?
C35 B1 C43 C44 -14.9(5) . . . . ?
C51 B1 C43 C48 53.7(5) . . . . ?
C59 B1 C43 C48 -68.2(4) . . . . ?
C35 B1 C43 C48 172.0(3) . . . . ?
C48 C43 C44 C45 -0.4(6) . . . . ?
B1 C43 C44 C45 -173.7(4) . . . . ?
C43 C44 C45 C46 -0.1(6) . . . . ?
C43 C44 C45 C49 178.3(4) . . . . ?
C44 C45 C46 C47 0.5(6) . . . . ?
C49 C45 C46 C47 -177.9(4) . . . . ?
C45 C46 C47 C48 -0.3(6) . . . . ?
C45 C46 C47 C50 -179.2(4) . . . . ?
C46 C47 C48 C43 -0.3(6) . . . . ?
C50 C47 C48 C43 178.6(4) . . . . ?
C44 C43 C48 C47 0.6(6) . . . . ?
B1 C43 C48 C47 174.3(3) . . . . ?
C46 C45 C49 F9 -19.7(7) . . . . ?
C44 C45 C49 F9 161.9(5) . . . . ?
C46 C45 C49 F7 104.1(5) . . . . ?
C44 C45 C49 F7 -74.3(6) . . . . ?
C46 C45 C49 F8 -139.1(4) . . . . ?
C44 C45 C49 F8 42.5(6) . . . . ?
C46 C47 C50 F11 -44.6(5) . . . . ?
C48 C47 C50 F11 136.5(4) . . . . ?
C46 C47 C50 F12 -165.1(4) . . . . ?
C48 C47 C50 F12 16.1(6) . . . . ?
C46 C47 C50 F10 75.2(5) . . . . ?
C48 C47 C50 F10 -103.7(4) . . . . ?
C43 B1 C51 C56 -169.1(3) . . . . ?
C59 B1 C51 C56 -51.7(5) . . . . ?
C35 B1 C51 C56 67.2(4) . . . . ?
C43 B1 C51 C52 14.6(5) . . . . ?
C59 B1 C51 C52 132.1(4) . . . . ?
C35 B1 C51 C52 -109.0(4) . . . . ?
C56 C51 C52 C53 1.5(6) . . . . ?
B1 C51 C52 C53 177.9(4) . . . . ?
C51 C52 C53 C54 1.7(6) . . . . ?
C51 C52 C53 C57 178.8(4) . . . . ?
C52 C53 C54 C55 -3.1(6) . . . . ?
C57 C53 C54 C55 179.8(4) . . . . ?
C53 C54 C55 C56 1.2(6) . . . . ?
C53 C54 C55 C58 -177.1(4) . . . . ?
C54 C55 C56 C51 2.1(6) . . . . ?
C58 C55 C56 C51 -179.5(4) . . . . ?
C52 C51 C56 C55 -3.4(6) . . . . ?
B1 C51 C56 C55 180.0(4) . . . . ?
C54 C53 C57 F13 -153.8(6) . . . . ?
C52 C53 C57 F13 29.1(7) . . . . ?
C54 C53 C57 F15 -30.9(7) . . . . ?
C52 C53 C57 F15 151.9(6) . . . . ?
C54 C53 C57 F14 87.4(6) . . . . ?
C52 C53 C57 F14 -89.7(6) . . . . ?
C54 C55 C58 F17 -149.1(4) . . . . ?
C56 C55 C58 F17 32.5(6) . . . . ?
C54 C55 C58 F18 89.6(5) . . . . ?
C56 C55 C58 F18 -88.7(5) . . . . ?
C54 C55 C58 F16 -29.0(6) . . . . ?
C56 C55 C58 F16 152.6(4) . . . . ?
C51 B1 C59 C60 -7.0(6) . . . . ?
C43 B1 C59 C60 115.2(4) . . . . ?
C35 B1 C59 C60 -122.5(4) . . . . ?
C51 B1 C59 C64 175.1(3) . . . . ?
C43 B1 C59 C64 -62.7(4) . . . . ?
C35 B1 C59 C64 59.6(5) . . . . ?
C64 C59 C60 C61 -1.4(6) . . . . ?
B1 C59 C60 C61 -179.4(4) . . . . ?
C59 C60 C61 C62 1.4(7) . . . . ?
C59 C60 C61 C65 -179.0(4) . . . . ?
C60 C61 C62 C63 -0.2(6) . . . . ?
C65 C61 C62 C63 -179.8(4) . . . . ?
C61 C62 C63 C64 -0.8(6) . . . . ?
C61 C62 C63 C66 -176.7(4) . . . . ?
C62 C63 C64 C59 0.7(6) . . . . ?
C66 C63 C64 C59 176.5(4) . . . . ?
C60 C59 C64 C63 0.4(6) . . . . ?
B1 C59 C64 C63 178.5(4) . . . . ?
C60 C61 C65 F20 37.5(7) . . . . ?
C62 C61 C65 F20 -142.9(5) . . . . ?
C60 C61 C65 F19 -81.5(5) . . . . ?
C62 C61 C65 F19 98.1(5) . . . . ?
C60 C61 C65 F21 159.0(4) . . . . ?
C62 C61 C65 F21 -21.4(7) . . . . ?
C64 C63 C66 F22 155.6(4) . . . . ?
C62 C63 C66 F22 -28.5(6) . . . . ?
C64 C63 C66 F24 32.8(6) . . . . ?
C62 C63 C66 F24 -151.4(4) . . . . ?
C64 C63 C66 F23 -84.9(5) . . . . ?
C62 C63 C66 F23 90.9(5) . . . . ?

_refine_diff_density_max         1.101
_refine_diff_density_min         -1.118
_refine_diff_density_rms         0.095

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_7
_database_code_depnum_ccdc_archive 'CCDC 1826400'
_audit_update_record             
;
2018-02-28 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C80 H56 B F24 P Ru'
_chemical_formula_weight         1616.09

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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.285(5)
_cell_length_b                   15.887(7)
_cell_length_c                   18.760(8)
_cell_angle_alpha                86.105(14)
_cell_angle_beta                 79.344(16)
_cell_angle_gamma                84.218(15)
_cell_volume                     3575(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    9563
_cell_measurement_theta_min      3.2122
_cell_measurement_theta_max      31.1805

_exptl_crystal_description       Prism
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_F_000             1632
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    0.349
_shelx_estimated_absorpt_T_min   0.927
_shelx_estimated_absorpt_T_max   0.997
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_max  0.9824
_exptl_absorpt_correction_T_min  0.9497
_exptl_absorpt_process_details   '(NUMABS; Rigaku, 2005)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            26144
_diffrn_reflns_av_unetI/netI     0.1540
_diffrn_reflns_av_R_equivalents  0.0835
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.212
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measured_fraction_theta_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_point_group_measured_fraction_full 0.980
_reflns_number_total             13692
_reflns_number_gt                8705
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RIGAKU CrystalClear'
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_structure_solution    SIR-2014
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2009(Wakita Nemoto et al.)'
_computing_publication_material  'Yadokari-XG 2009(Wakita,Nemoto et al.)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0471P)²+11.7332P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13692
_refine_ls_number_parameters     983
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1545
_refine_ls_R_factor_gt           0.1060
_refine_ls_wR_factor_ref         0.2207
_refine_ls_wR_factor_gt          0.1873
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.44451(5) 0.15188(4) 0.74052(3) 0.02480(17) Uani 1 1 d . . . . .
P1 P 0.58631(15) 0.06115(12) 0.78509(10) 0.0250(4) Uani 1 1 d . . . . .
F18 F 0.1081(4) -0.1477(3) 0.9018(3) 0.0496(13) Uani 1 1 d . . . . .
F13 F -0.3171(4) -0.3918(3) 0.8695(3) 0.0531(14) Uani 1 1 d . . . . .
F1 F 0.0392(5) -0.1799(3) 0.5502(3) 0.0649(17) Uani 1 1 d . . . . .
F15 F -0.3464(4) -0.2823(4) 0.9344(3) 0.0608(15) Uani 1 1 d . . . . .
F19 F 0.2542(4) -0.3896(4) 0.9988(3) 0.0622(16) Uani 1 1 d . . . . .
F20 F 0.4306(4) -0.3958(4) 0.9750(3) 0.0661(16) Uani 1 1 d . . . . .
F3 F 0.1526(5) -0.2188(3) 0.4559(3) 0.0744(19) Uani 1 1 d . . . . .
F14 F -0.3537(4) -0.2680(3) 0.8204(3) 0.0543(14) Uani 1 1 d . . . . .
F7 F -0.1662(7) -0.6062(4) 0.6682(4) 0.120(3) Uani 1 1 d . . . . .
C74 C 0.2367(6) -0.4212(4) 0.8569(4) 0.0239(15) Uani 1 1 d . . . . .
H74 H 0.1707 -0.4173 0.8925 0.029 Uiso 1 1 calc R U . . .
C13 C 0.5237(6) -0.0380(4) 0.8203(4) 0.0217(15) Uani 1 1 d . . . . .
F6 F 0.1365(6) -0.5996(4) 0.5211(3) 0.092(2) Uani 1 1 d . . . . .
C62 C 0.0810(6) -0.5708(4) 0.8427(4) 0.0276(16) Uani 1 1 d . . . . .
H62 H 0.1321 -0.5534 0.8698 0.033 Uiso 1 1 calc R U . . .
F5 F 0.2147(6) -0.5221(3) 0.4317(3) 0.088(2) Uani 1 1 d . . . . .
C39 C 0.3403(6) 0.1745(4) 0.8545(4) 0.0266(16) Uani 1 1 d . . . . .
F17 F 0.0408(6) -0.0785(3) 0.8173(4) 0.097(3) Uani 1 1 d . . . . .
C24 C 0.6212(6) -0.0519(4) 0.5916(4) 0.0277(17) Uani 1 1 d . . . . .
F21 F 0.3488(6) -0.5094(3) 0.9873(3) 0.082(2) Uani 1 1 d . . . . .
C70 C 0.0478(6) -0.2742(4) 0.8185(4) 0.0263(16) Uani 1 1 d . . . . .
H70 H 0.1245 -0.2650 0.8075 0.032 Uiso 1 1 calc R U . . .
C54 C 0.1528(6) -0.4761(5) 0.6223(4) 0.0299(17) Uani 1 1 d . . . . .
H54 H 0.1595 -0.5323 0.6427 0.036 Uiso 1 1 calc R U . . .
C36 C 0.4878(6) 0.1750(4) 0.5599(4) 0.0306(17) Uani 1 1 d . . . . .
H36 H 0.4514 0.1359 0.5386 0.037 Uiso 1 1 calc R U . . .
C2 C 0.7278(6) 0.0543(5) 0.8912(4) 0.0292(17) Uani 1 1 d . . . . .
H2 H 0.7414 -0.0049 0.8852 0.035 Uiso 1 1 calc R U . . .
C66 C -0.0997(6) -0.3603(5) 0.8166(4) 0.0319(18) Uani 1 1 d . . . . .
H66 H -0.1264 -0.4106 0.8046 0.038 Uiso 1 1 calc R U . . .
C50 C 0.1150(6) -0.3258(4) 0.6356(4) 0.0286(17) Uani 1 1 d . . . . .
H50 H 0.0935 -0.2780 0.6645 0.034 Uiso 1 1 calc R U . . .
C29 C 0.6529(6) -0.1394(5) 0.5925(4) 0.0301(17) Uani 1 1 d . . . . .
H29 H 0.6111 -0.1763 0.6266 0.036 Uiso 1 1 calc R U . . .
C38 C 0.2908(6) 0.1130(4) 0.8196(4) 0.0243(16) Uani 1 1 d . . . . .
F16 F -0.0572(5) -0.0903(4) 0.9242(4) 0.095(3) Uani 1 1 d . . . . .
F2 F 0.2131(6) -0.1800(3) 0.5464(4) 0.087(2) Uani 1 1 d . . . . .
C31 C 0.5345(6) 0.1490(4) 0.6225(4) 0.0253(16) Uani 1 1 d . . . . .
C60 C -0.0372(6) -0.6768(5) 0.8237(4) 0.0345(19) Uani 1 1 d . . . . .
H60 H -0.0672 -0.7297 0.8366 0.041 Uiso 1 1 calc R U . . .
C43 C 0.2078(7) 0.0720(5) 0.7120(4) 0.038(2) Uani 1 1 d . . . . .
H43 H 0.2331 0.0140 0.7266 0.057 Uiso 1 1 calc R U . . .
H43A H 0.2291 0.0809 0.6592 0.057 Uiso 1 1 calc R U . . .
H43B H 0.1267 0.0807 0.7258 0.057 Uiso 1 1 calc R U . . .
C35 C 0.4945(6) 0.2556(5) 0.5299(4) 0.0301(17) Uani 1 1 d . . . . .
H35 H 0.4640 0.2713 0.4874 0.036 Uiso 1 1 calc R U . . .
C42 C 0.2764(6) 0.2183(5) 0.7158(4) 0.0295(17) Uani 1 1 d . . . . .
C47 C 0.3487(7) 0.3633(4) 0.7132(4) 0.038(2) Uani 1 1 d . . . . .
H47 H 0.3633 0.3594 0.6604 0.057 Uiso 1 1 calc R U . . .
H47A H 0.4122 0.3851 0.7284 0.057 Uiso 1 1 calc R U . . .
H47B H 0.2817 0.4016 0.7277 0.057 Uiso 1 1 calc R U . . .
C17 C 0.3500(6) -0.2066(4) 0.7814(4) 0.0285(17) Uani 1 1 d . . . . .
H17 H 0.3114 -0.2508 0.8083 0.034 Uiso 1 1 calc R U . . .
C34 C 0.5463(6) 0.3165(5) 0.5613(4) 0.0349(19) Uani 1 1 d . . . . .
H34 H 0.5493 0.3725 0.5401 0.042 Uiso 1 1 calc R U . . .
C58 C -0.0192(6) -0.5495(4) 0.7452(4) 0.0318(18) Uani 1 1 d . . . . .
H58 H -0.0397 -0.5167 0.7047 0.038 Uiso 1 1 calc R U . . .
C30 C 0.5127(6) 0.0689(4) 0.6623(4) 0.0259(16) Uani 1 1 d . . . . .
C49 C 0.1212(6) -0.4080(4) 0.6698(4) 0.0286(17) Uani 1 1 d . . . . .
C4 C 0.7690(6) 0.1803(5) 0.9434(4) 0.0327(18) Uani 1 1 d . . . . .
H4 H 0.8088 0.2061 0.9736 0.039 Uiso 1 1 calc R U . . .
C76 C 0.4361(6) -0.4300(4) 0.8304(4) 0.0289(17) Uani 1 1 d . . . . .
H76 H 0.5061 -0.4350 0.8457 0.035 Uiso 1 1 calc R U . . .
C69 C -0.0269(6) -0.2115(4) 0.8536(4) 0.0268(16) Uani 1 1 d . . . . .
C15 C 0.4593(6) -0.1254(4) 0.9317(4) 0.0299(17) Uani 1 1 d . . . . .
H15 H 0.4572 -0.1376 0.9822 0.036 Uiso 1 1 calc R U . . .
C71 C -0.2965(6) -0.3100(5) 0.8688(5) 0.038(2) Uani 1 1 d . . . . .
C75 C 0.3387(6) -0.4252(4) 0.8804(4) 0.0290(17) Uani 1 1 d . . . . .
C8 C 0.7522(6) -0.0639(4) 0.7225(4) 0.0258(16) Uani 1 1 d . . . . .
H8 H 0.6998 -0.1038 0.7403 0.031 Uiso 1 1 calc R U . . .
C44 C 0.2529(6) 0.0339(5) 0.8623(4) 0.037(2) Uani 1 1 d . . . . .
H44 H 0.1777 0.0462 0.8899 0.056 Uiso 1 1 calc R U . . .
H44A H 0.3039 0.0151 0.8958 0.056 Uiso 1 1 calc R U . . .
H44B H 0.2525 -0.0108 0.8288 0.056 Uiso 1 1 calc R U . . .
C37 C 0.2618(5) 0.1353(4) 0.7502(4) 0.0261(16) Uani 1 1 d . . . . .
C1 C 0.6488(6) 0.1026(5) 0.8567(4) 0.0274(16) Uani 1 1 d . . . . .
C78 C 0.3274(6) -0.4253(4) 0.7343(4) 0.0287(17) Uani 1 1 d . . . . .
H78 H 0.3258 -0.4259 0.6839 0.034 Uiso 1 1 calc R U . . .
C10 C 0.9370(7) -0.0347(5) 0.6619(4) 0.041(2) Uani 1 1 d . . . . .
H10 H 1.0095 -0.0538 0.6381 0.049 Uiso 1 1 calc R U . . .
C57 C 0.0549(6) -0.5183(4) 0.7832(4) 0.0268(16) Uani 1 1 d . . . . .
C20 C 0.4678(6) -0.0762(4) 0.7024(4) 0.0221(15) Uani 1 1 d . . . . .
F4 F 0.3036(6) -0.5800(4) 0.5107(3) 0.096(2) Uani 1 1 d . . . . .
C51 C 0.1401(6) -0.3137(5) 0.5596(4) 0.0288(17) Uani 1 1 d . . . . .
C21 C 0.4687(6) -0.0875(4) 0.7788(4) 0.0249(16) Uani 1 1 d . . . . .
C18 C 0.3462(6) -0.1923(5) 0.7092(4) 0.0370(19) Uani 1 1 d . . . . .
H18 H 0.3052 -0.2259 0.6856 0.044 Uiso 1 1 calc R U . . .
C52 C 0.1684(6) -0.3817(5) 0.5144(4) 0.0342(18) Uani 1 1 d . . . . .
H52 H 0.1832 -0.3726 0.4630 0.041 Uiso 1 1 calc R U . . .
C6 C 0.6333(6) 0.1894(5) 0.8652(4) 0.0287(17) Uani 1 1 d . . . . .
H6 H 0.5807 0.2229 0.8415 0.034 Uiso 1 1 calc R U . . .
C68 C -0.1398(6) -0.2221(5) 0.8712(4) 0.0288(17) Uani 1 1 d . . . . .
H68 H -0.1914 -0.1801 0.8953 0.035 Uiso 1 1 calc R U . . .
C25 C 0.6852(7) -0.0002(5) 0.5400(4) 0.038(2) Uani 1 1 d . . . . .
H25 H 0.6657 0.0592 0.5381 0.046 Uiso 1 1 calc R U . . .
C22 C 0.4101(6) -0.1571(4) 0.8165(4) 0.0289(17) Uani 1 1 d . . . . .
C14 C 0.5170(6) -0.0571(4) 0.8954(4) 0.0260(16) Uani 1 1 d . . . . .
H14 H 0.5522 -0.0232 0.9226 0.031 Uiso 1 1 calc R U . . .
C73 C 0.2265(6) -0.4225(4) 0.7833(4) 0.0247(16) Uani 1 1 d . . . . .
C55 C 0.1351(8) -0.2245(5) 0.5269(4) 0.043(2) Uani 1 1 d . . . . .
C65 C 0.0147(6) -0.3501(4) 0.7987(4) 0.0262(16) Uani 1 1 d . . . . .
C67 C -0.1748(6) -0.2981(5) 0.8517(4) 0.0302(17) Uani 1 1 d . . . . .
C46 C 0.3982(7) 0.3279(5) 0.8574(4) 0.039(2) Uani 1 1 d . . . . .
H46 H 0.4145 0.3068 0.9050 0.059 Uiso 1 1 calc R U . . .
H46A H 0.3393 0.3746 0.8638 0.059 Uiso 1 1 calc R U . . .
H46B H 0.4654 0.3482 0.8273 0.059 Uiso 1 1 calc R U . . .
C19 C 0.4049(6) -0.1261(4) 0.6701(4) 0.0274(16) Uani 1 1 d . . . . .
H19 H 0.4014 -0.1154 0.6202 0.033 Uiso 1 1 calc R U . . .
C3 C 0.7862(6) 0.0936(5) 0.9345(4) 0.0316(18) Uani 1 1 d . . . . .
H3 H 0.8389 0.0605 0.9584 0.038 Uiso 1 1 calc R U . . .
C41 C 0.3313(6) 0.2756(4) 0.7495(4) 0.0291(17) Uani 1 1 d . . . . .
F24 F 0.597(4) -0.499(2) 0.709(2) 0.055(13) Uiso 0.157(18) 1 d . . P A 1
C16 C 0.4071(6) -0.1731(4) 0.8934(4) 0.0277(16) Uani 1 1 d . . . . .
H16 H 0.3675 -0.2181 0.9179 0.033 Uiso 1 1 calc R U . . .
C33 C 0.5911(6) 0.2945(5) 0.6213(4) 0.0342(19) Uani 1 1 d . . . . .
H33 H 0.6225 0.3361 0.6432 0.041 Uiso 1 1 calc R U . . .
C79 C 0.3424(7) -0.4304(5) 0.9590(5) 0.039(2) Uani 1 1 d . . . . .
C72 C 0.0163(7) -0.1322(5) 0.8739(5) 0.039(2) Uani 1 1 d . . . . .
C9 C 0.8580(6) -0.0929(5) 0.6884(4) 0.0348(18) Uani 1 1 d . . . . .
H9 H 0.8772 -0.1518 0.6830 0.042 Uiso 1 1 calc R U . . .
C7 C 0.7202(6) 0.0229(4) 0.7314(4) 0.0283(17) Uani 1 1 d . . . . .
C11 C 0.9074(6) 0.0507(5) 0.6710(5) 0.041(2) Uani 1 1 d . . . . .
H11 H 0.9598 0.0903 0.6522 0.049 Uiso 1 1 calc R U . . .
C27 C 0.8074(7) -0.1205(5) 0.4951(4) 0.040(2) Uani 1 1 d . . . . .
H27 H 0.8717 -0.1436 0.4637 0.048 Uiso 1 1 calc R U . . .
F22 F 0.514(3) -0.432(3) 0.634(2) 0.048(12) Uiso 0.157(18) 1 d . . P A 1
C5 C 0.6938(6) 0.2286(5) 0.9080(4) 0.0330(18) Uani 1 1 d . . . . .
H5 H 0.6830 0.2882 0.9125 0.040 Uiso 1 1 calc R U . . .
C12 C 0.8035(6) 0.0797(5) 0.7068(4) 0.0347(19) Uani 1 1 d . . . . .
H12 H 0.7872 0.1383 0.7151 0.042 Uiso 1 1 calc R U . . .
C45 C 0.3611(7) 0.1531(5) 0.9313(4) 0.0366(19) Uani 1 1 d . . . . .
H45 H 0.4065 0.1947 0.9447 0.055 Uiso 1 1 calc R U . . .
H45A H 0.4003 0.0964 0.9337 0.055 Uiso 1 1 calc R U . . .
H45B H 0.2898 0.1543 0.9650 0.055 Uiso 1 1 calc R U . . .
C32 C 0.5921(6) 0.2082(5) 0.6528(4) 0.0308(18) Uani 1 1 d . . . . .
H32 H 0.6297 0.1916 0.6922 0.037 Uiso 1 1 calc R U . . .
B1 B 0.1038(7) -0.4243(5) 0.7592(4) 0.0247(18) Uani 1 1 d . . . . .
F9 F -0.2282(8) -0.6845(8) 0.7540(4) 0.177(5) Uani 1 1 d . . . . .
C77 C 0.4297(6) -0.4273(5) 0.7561(4) 0.0330(18) Uani 1 1 d . . . . .
C26 C 0.7762(7) -0.0337(5) 0.4916(5) 0.046(2) Uani 1 1 d . . . . .
H26 H 0.8171 0.0024 0.4563 0.055 Uiso 1 1 calc R U . . .
C28 C 0.7442(7) -0.1727(5) 0.5445(4) 0.038(2) Uani 1 1 d . . . . .
H28 H 0.7635 -0.2322 0.5455 0.046 Uiso 1 1 calc R U . . .
C63 C -0.1415(12) -0.6575(7) 0.7215(6) 0.075(4) Uani 1 1 d . . . . .
C80 C 0.5360(7) -0.4309(5) 0.6993(5) 0.040(2) Uani 1 1 d . . . . .
C59 C -0.0644(7) -0.6268(5) 0.7644(5) 0.041(2) Uani 1 1 d . . . . .
C53 C 0.1742(6) -0.4630(5) 0.5465(4) 0.0329(18) Uani 1 1 d . . . . .
C56 C 0.2053(10) -0.5381(5) 0.5011(5) 0.055(3) Uani 1 1 d . . . . .
C48 C 0.2291(7) 0.2455(5) 0.6484(5) 0.043(2) Uani 1 1 d . . . . .
H48 H 0.2038 0.3059 0.6493 0.064 Uiso 1 1 calc R U . . .
H48A H 0.1662 0.2128 0.6466 0.064 Uiso 1 1 calc R U . . .
H48B H 0.2866 0.2353 0.6053 0.064 Uiso 1 1 calc R U . . .
C23 C 0.5333(6) -0.0142(5) 0.6503(4) 0.0290(17) Uani 1 1 d . . . . .
C40 C 0.3597(6) 0.2561(4) 0.8201(4) 0.0289(17) Uani 1 1 d . . . . .
F23 F 0.581(3) -0.366(3) 0.704(2) 0.045(11) Uiso 0.157(18) 1 d . . P A 1
F8 F -0.0909(9) -0.7288(7) 0.6858(6) 0.177(5) Uani 1 1 d . . . . .
F11 F -0.0215(4) -0.6864(3) 0.9878(2) 0.0553(15) Uani 1 1 d . . . . .
F12 F 0.1531(4) -0.6814(3) 0.9501(3) 0.0498(13) Uani 1 1 d . . . . .
F10 F 0.0702(4) -0.7830(3) 0.9208(3) 0.0570(15) Uani 1 1 d . . . . .
C61 C 0.0340(6) -0.6479(5) 0.8632(4) 0.0304(17) Uani 1 1 d . . . . .
C64 C 0.0582(7) -0.6991(5) 0.9293(5) 0.039(2) Uani 1 1 d . . . . .
F25 F 0.5385(7) -0.4869(7) 0.6514(5) 0.084(4) Uani 0.843(18) 1 d . . P A -1
F26 F 0.6276(6) -0.4457(10) 0.7245(4) 0.118(5) Uani 0.843(18) 1 d . . P A -1
F27 F 0.5454(9) -0.3571(5) 0.6597(7) 0.106(5) Uani 0.843(18) 1 d . . P A -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ru1 C30 2.044(7) . ?
Ru1 C37 2.258(7) . ?
Ru1 C38 2.286(7) . ?
Ru1 C31 2.286(7) . ?
Ru1 C41 2.288(7) . ?
Ru1 C39 2.310(7) . ?
Ru1 C42 2.333(7) . ?
Ru1 C40 2.339(7) . ?
Ru1 P1 2.383(2) . ?
Ru1 C32 2.413(7) . ?
P1 C7 1.833(8) . ?
P1 C13 1.851(7) . ?
P1 C1 1.853(7) . ?
F18 C72 1.322(9) . ?
F13 C71 1.348(9) . ?
F1 C55 1.329(10) . ?
F15 C71 1.350(9) . ?
F19 C79 1.332(9) . ?
F20 C79 1.352(9) . ?
F3 C55 1.308(9) . ?
F14 C71 1.349(9) . ?
F7 C63 1.307(10) . ?
C74 C75 1.397(10) . ?
C74 C73 1.412(9) . ?
C13 C14 1.409(9) . ?
C13 C21 1.438(9) . ?
F6 C56 1.345(10) . ?
C62 C61 1.406(9) . ?
C62 C57 1.413(9) . ?
F5 C56 1.295(9) . ?
C39 C40 1.431(10) . ?
C39 C38 1.452(9) . ?
C39 C45 1.520(10) . ?
F17 C72 1.327(9) . ?
C24 C29 1.405(10) . ?
C24 C25 1.405(10) . ?
C24 C23 1.503(10) . ?
F21 C79 1.329(9) . ?
C70 C69 1.395(10) . ?
C70 C65 1.406(9) . ?
C54 C53 1.402(10) . ?
C54 C49 1.427(10) . ?
C36 C35 1.368(9) . ?
C36 C31 1.418(9) . ?
C2 C3 1.392(9) . ?
C2 C1 1.401(10) . ?
C66 C67 1.393(10) . ?
C66 C65 1.407(10) . ?
C50 C51 1.406(10) . ?
C50 C49 1.417(9) . ?
C29 C28 1.387(10) . ?
C38 C37 1.425(9) . ?
C38 C44 1.509(9) . ?
F16 C72 1.341(10) . ?
F2 C55 1.361(10) . ?
C31 C32 1.439(9) . ?
C31 C30 1.454(9) . ?
C60 C61 1.376(10) . ?
C60 C59 1.395(10) . ?
C43 C37 1.542(10) . ?
C35 C34 1.423(10) . ?
C42 C41 1.430(10) . ?
C42 C37 1.440(10) . ?
C42 C48 1.506(10) . ?
C47 C41 1.526(9) . ?
C17 C18 1.368(10) . ?
C17 C22 1.401(10) . ?
C34 C33 1.353(10) . ?
C58 C59 1.395(9) . ?
C58 C57 1.401(10) . ?
C30 C23 1.346(9) . ?
C49 B1 1.656(10) . ?
C4 C5 1.378(10) . ?
C4 C3 1.389(10) . ?
C76 C75 1.376(10) . ?
C76 C77 1.409(10) . ?
C69 C68 1.390(9) . ?
C69 C72 1.513(10) . ?
C15 C16 1.358(10) . ?
C15 C14 1.422(9) . ?
C71 C67 1.499(10) . ?
C75 C79 1.481(11) . ?
C8 C9 1.386(10) . ?
C8 C7 1.407(9) . ?
C1 C6 1.389(10) . ?
C78 C77 1.389(10) . ?
C78 C73 1.399(9) . ?
C10 C11 1.382(11) . ?
C10 C9 1.408(10) . ?
C57 B1 1.668(10) . ?
C20 C19 1.398(9) . ?
C20 C21 1.434(9) . ?
C20 C23 1.519(9) . ?
F4 C56 1.354(11) . ?
C51 C52 1.396(10) . ?
C51 C55 1.505(10) . ?
C21 C22 1.452(9) . ?
C18 C19 1.419(9) . ?
C52 C53 1.389(10) . ?
C6 C5 1.402(10) . ?
C68 C67 1.413(10) . ?
C25 C26 1.388(11) . ?
C22 C16 1.441(10) . ?
C73 B1 1.655(10) . ?
C65 B1 1.642(11) . ?
C46 C40 1.534(10) . ?
C41 C40 1.437(10) . ?
F24 F26 1.04(4) . ?
F24 C80 1.28(4) . ?
F24 F25 1.40(4) . ?
C33 C32 1.455(9) . ?
C7 C12 1.424(9) . ?
C11 C12 1.378(10) . ?
C27 C28 1.382(11) . ?
C27 C26 1.394(11) . ?
F22 F25 0.96(4) . ?
F22 C80 1.31(4) . ?
F22 F27 1.42(4) . ?
F9 C63 1.227(13) . ?
C77 C80 1.524(10) . ?
C63 F8 1.388(15) . ?
C63 C59 1.487(12) . ?
C80 F23 1.23(4) . ?
C80 F26 1.293(11) . ?
C80 F25 1.302(11) . ?
C80 F27 1.348(11) . ?
C53 C56 1.490(11) . ?
F23 F27 1.00(3) . ?
F23 F26 1.39(4) . ?
F11 C64 1.340(9) . ?
F12 C64 1.356(9) . ?
F10 C64 1.343(9) . ?
C61 C64 1.496(10) . ?

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
C30 Ru1 C37 100.9(3) . . ?
C30 Ru1 C38 116.3(3) . . ?
C37 Ru1 C38 36.5(2) . . ?
C30 Ru1 C31 38.7(2) . . ?
C37 Ru1 C31 111.5(3) . . ?
C38 Ru1 C31 144.2(3) . . ?
C30 Ru1 C41 137.7(3) . . ?
C37 Ru1 C41 65.6(3) . . ?
C38 Ru1 C41 77.6(2) . . ?
C31 Ru1 C41 106.3(3) . . ?
C30 Ru1 C39 148.6(3) . . ?
C37 Ru1 C39 65.6(3) . . ?
C38 Ru1 C39 36.8(2) . . ?
C31 Ru1 C39 171.2(2) . . ?
C41 Ru1 C39 64.9(3) . . ?
C30 Ru1 C42 110.3(3) . . ?
C37 Ru1 C42 36.5(2) . . ?
C38 Ru1 C42 65.5(2) . . ?
C31 Ru1 C42 96.3(2) . . ?
C41 Ru1 C42 36.0(2) . . ?
C39 Ru1 C42 76.5(2) . . ?
C30 Ru1 C40 173.9(3) . . ?
C37 Ru1 C40 77.3(3) . . ?
C38 Ru1 C40 65.6(2) . . ?
C31 Ru1 C40 136.3(3) . . ?
C41 Ru1 C40 36.2(3) . . ?
C39 Ru1 C40 35.8(2) . . ?
C42 Ru1 C40 64.8(3) . . ?
C30 Ru1 P1 72.0(2) . . ?
C37 Ru1 P1 129.46(19) . . ?
C38 Ru1 P1 100.46(18) . . ?
C31 Ru1 P1 93.76(18) . . ?
C41 Ru1 P1 148.2(2) . . ?
C39 Ru1 P1 94.28(18) . . ?
C42 Ru1 P1 165.59(19) . . ?
C40 Ru1 P1 113.7(2) . . ?
C30 Ru1 C32 67.4(3) . . ?
C37 Ru1 C32 138.3(3) . . ?
C38 Ru1 C32 172.8(2) . . ?
C31 Ru1 C32 35.5(2) . . ?
C41 Ru1 C32 95.6(3) . . ?
C39 Ru1 C32 141.6(3) . . ?
C42 Ru1 C32 107.6(3) . . ?
C40 Ru1 C32 110.0(3) . . ?
P1 Ru1 C32 86.51(19) . . ?
C7 P1 C13 103.0(3) . . ?
C7 P1 C1 94.5(3) . . ?
C13 P1 C1 109.1(3) . . ?
C7 P1 Ru1 125.7(2) . . ?
C13 P1 Ru1 106.6(2) . . ?
C1 P1 Ru1 116.5(2) . . ?
C75 C74 C73 123.6(7) . . ?
C14 C13 C21 119.6(6) . . ?
C14 C13 P1 115.8(5) . . ?
C21 C13 P1 124.0(5) . . ?
C61 C62 C57 122.4(7) . . ?
C40 C39 C38 120.8(7) . . ?
C40 C39 C45 120.7(6) . . ?
C38 C39 C45 118.2(6) . . ?
C40 C39 Ru1 73.2(4) . . ?
C38 C39 Ru1 70.7(4) . . ?
C45 C39 Ru1 133.8(5) . . ?
C29 C24 C25 117.4(7) . . ?
C29 C24 C23 121.0(6) . . ?
C25 C24 C23 121.1(7) . . ?
C69 C70 C65 123.0(7) . . ?
C53 C54 C49 122.4(7) . . ?
C35 C36 C31 120.9(7) . . ?
C3 C2 C1 119.6(7) . . ?
C67 C66 C65 121.4(7) . . ?
C51 C50 C49 121.1(7) . . ?
C28 C29 C24 120.9(7) . . ?
C37 C38 C39 118.7(6) . . ?
C37 C38 C44 121.0(6) . . ?
C39 C38 C44 119.4(7) . . ?
C37 C38 Ru1 70.7(4) . . ?
C39 C38 Ru1 72.5(4) . . ?
C44 C38 Ru1 137.5(5) . . ?
C36 C31 C32 118.8(7) . . ?
C36 C31 C30 121.8(6) . . ?
C32 C31 C30 118.8(6) . . ?
C36 C31 Ru1 126.6(5) . . ?
C32 C31 Ru1 77.0(4) . . ?
C30 C31 Ru1 61.6(4) . . ?
C61 C60 C59 118.6(7) . . ?
C36 C35 C34 121.2(7) . . ?
C41 C42 C37 118.2(7) . . ?
C41 C42 C48 121.0(7) . . ?
C37 C42 C48 120.7(7) . . ?
C41 C42 Ru1 70.3(4) . . ?
C37 C42 Ru1 68.9(4) . . ?
C48 C42 Ru1 135.8(5) . . ?
C18 C17 C22 121.0(7) . . ?
C33 C34 C35 119.8(7) . . ?
C59 C58 C57 122.8(7) . . ?
C23 C30 C31 137.6(7) . . ?
C23 C30 Ru1 142.7(6) . . ?
C31 C30 Ru1 79.7(4) . . ?
C50 C49 C54 115.7(7) . . ?
C50 C49 B1 122.6(6) . . ?
C54 C49 B1 121.5(6) . . ?
C5 C4 C3 119.4(7) . . ?
C75 C76 C77 118.5(7) . . ?
C68 C69 C70 120.6(7) . . ?
C68 C69 C72 119.9(7) . . ?
C70 C69 C72 119.4(7) . . ?
C16 C15 C14 119.2(7) . . ?
F13 C71 F14 106.1(6) . . ?
F13 C71 F15 105.9(7) . . ?
F14 C71 F15 105.7(6) . . ?
F13 C71 C67 112.8(6) . . ?
F14 C71 C67 112.8(7) . . ?
F15 C71 C67 113.0(7) . . ?
C76 C75 C74 119.8(7) . . ?
C76 C75 C79 119.9(7) . . ?
C74 C75 C79 120.1(7) . . ?
C9 C8 C7 121.9(7) . . ?
C38 C37 C42 121.5(6) . . ?
C38 C37 C43 120.1(6) . . ?
C42 C37 C43 118.3(7) . . ?
C38 C37 Ru1 72.8(4) . . ?
C42 C37 Ru1 74.5(4) . . ?
C43 C37 Ru1 128.1(5) . . ?
C6 C1 C2 118.6(6) . . ?
C6 C1 P1 117.2(5) . . ?
C2 C1 P1 122.8(5) . . ?
C77 C78 C73 122.9(7) . . ?
C11 C10 C9 119.0(7) . . ?
C58 C57 C62 115.1(6) . . ?
C58 C57 B1 120.7(6) . . ?
C62 C57 B1 124.1(6) . . ?
C19 C20 C21 119.8(6) . . ?
C19 C20 C23 114.8(6) . . ?
C21 C20 C23 125.4(6) . . ?
C52 C51 C50 121.8(7) . . ?
C52 C51 C55 119.7(7) . . ?
C50 C51 C55 118.4(7) . . ?
C20 C21 C13 126.3(6) . . ?
C20 C21 C22 116.0(6) . . ?
C13 C21 C22 117.7(6) . . ?
C17 C18 C19 118.5(7) . . ?
C53 C52 C51 118.1(7) . . ?
C1 C6 C5 121.3(7) . . ?
C69 C68 C67 117.2(7) . . ?
C26 C25 C24 121.6(7) . . ?
C17 C22 C16 118.3(7) . . ?
C17 C22 C21 121.9(7) . . ?
C16 C22 C21 119.6(6) . . ?
C13 C14 C15 122.1(6) . . ?
C78 C73 C74 114.6(6) . . ?
C78 C73 B1 123.9(6) . . ?
C74 C73 B1 121.4(6) . . ?
F3 C55 F1 107.4(7) . . ?
F3 C55 F2 105.5(8) . . ?
F1 C55 F2 104.3(7) . . ?
F3 C55 C51 114.6(7) . . ?
F1 C55 C51 112.9(7) . . ?
F2 C55 C51 111.3(7) . . ?
C70 C65 C66 116.0(7) . . ?
C70 C65 B1 122.5(6) . . ?
C66 C65 B1 121.5(6) . . ?
C66 C67 C68 121.8(7) . . ?
C66 C67 C71 120.1(7) . . ?
C68 C67 C71 118.1(7) . . ?
C20 C19 C18 122.6(7) . . ?
C4 C3 C2 121.3(7) . . ?
C42 C41 C40 121.7(7) . . ?
C42 C41 C47 118.9(7) . . ?
C40 C41 C47 119.1(7) . . ?
C42 C41 Ru1 73.7(4) . . ?
C40 C41 Ru1 73.9(4) . . ?
C47 C41 Ru1 130.8(5) . . ?
F26 F24 C80 67(2) . . ?
F26 F24 F25 117(3) . . ?
C80 F24 F25 58.1(18) . . ?
C15 C16 C22 121.7(7) . . ?
C34 C33 C32 121.3(7) . . ?
F21 C79 F19 106.3(7) . . ?
F21 C79 F20 105.2(7) . . ?
F19 C79 F20 104.6(7) . . ?
F21 C79 C75 113.3(7) . . ?
F19 C79 C75 113.3(7) . . ?
F20 C79 C75 113.3(7) . . ?
F18 C72 F17 105.8(7) . . ?
F18 C72 F16 105.5(7) . . ?
F17 C72 F16 107.2(7) . . ?
F18 C72 C69 113.2(6) . . ?
F17 C72 C69 112.4(7) . . ?
F16 C72 C69 112.3(7) . . ?
C8 C9 C10 119.8(7) . . ?
C8 C7 C12 116.8(7) . . ?
C8 C7 P1 122.3(5) . . ?
C12 C7 P1 120.2(6) . . ?
C12 C11 C10 121.5(8) . . ?
C28 C27 C26 119.5(8) . . ?
F25 F22 C80 68(2) . . ?
F25 F22 F27 122(3) . . ?
C80 F22 F27 58.9(18) . . ?
C4 C5 C6 119.7(7) . . ?
C11 C12 C7 120.9(7) . . ?
C31 C32 C33 117.8(7) . . ?
C31 C32 Ru1 67.4(4) . . ?
C33 C32 Ru1 125.6(5) . . ?
C65 B1 C73 110.5(6) . . ?
C65 B1 C49 109.9(6) . . ?
C73 B1 C49 107.7(6) . . ?
C65 B1 C57 109.0(6) . . ?
C73 B1 C57 110.0(6) . . ?
C49 B1 C57 109.8(6) . . ?
C78 C77 C76 120.4(7) . . ?
C78 C77 C80 119.8(7) . . ?
C76 C77 C80 119.8(7) . . ?
C25 C26 C27 119.7(8) . . ?
C27 C28 C29 120.8(8) . . ?
F9 C63 F7 107.6(11) . . ?
F9 C63 F8 100.7(10) . . ?
F7 C63 F8 102.5(10) . . ?
F9 C63 C59 118.7(10) . . ?
F7 C63 C59 115.6(8) . . ?
F8 C63 C59 109.5(11) . . ?
F23 C80 F24 114(3) . . ?
F23 C80 F26 67.1(18) . . ?
F24 C80 F26 47.8(19) . . ?
F23 C80 F25 137(2) . . ?
F24 C80 F25 65(2) . . ?
F26 C80 F25 106.6(9) . . ?
F23 C80 F22 108(2) . . ?
F24 C80 F22 106(3) . . ?
F26 C80 F22 132.1(18) . . ?
F25 C80 F22 42.9(18) . . ?
F23 C80 F27 45.4(17) . . ?
F24 C80 F27 137.5(19) . . ?
F26 C80 F27 105.4(10) . . ?
F25 C80 F27 104.1(10) . . ?
F22 C80 F27 64.8(19) . . ?
F23 C80 C77 106.8(19) . . ?
F24 C80 C77 110.6(19) . . ?
F26 C80 C77 115.6(8) . . ?
F25 C80 C77 113.0(7) . . ?
F22 C80 C77 111.3(17) . . ?
F27 C80 C77 111.2(7) . . ?
C60 C59 C58 120.6(7) . . ?
C60 C59 C63 118.9(7) . . ?
C58 C59 C63 120.5(7) . . ?
C52 C53 C54 120.8(7) . . ?
C52 C53 C56 120.6(7) . . ?
C54 C53 C56 118.6(7) . . ?
F5 C56 F6 108.8(8) . . ?
F5 C56 F4 105.4(9) . . ?
F6 C56 F4 100.7(7) . . ?
F5 C56 C53 115.4(7) . . ?
F6 C56 C53 112.7(8) . . ?
F4 C56 C53 112.7(8) . . ?
C30 C23 C24 125.2(6) . . ?
C30 C23 C20 118.1(7) . . ?
C24 C23 C20 116.6(6) . . ?
C39 C40 C41 118.7(6) . . ?
C39 C40 C46 123.7(7) . . ?
C41 C40 C46 117.4(7) . . ?
C39 C40 Ru1 71.0(4) . . ?
C41 C40 Ru1 70.0(4) . . ?
C46 C40 Ru1 136.2(5) . . ?
F27 F23 C80 74(2) . . ?
F27 F23 F26 122(3) . . ?
C80 F23 F26 58.7(18) . . ?
C60 C61 C62 120.5(7) . . ?
C60 C61 C64 118.7(7) . . ?
C62 C61 C64 120.8(7) . . ?
F11 C64 F10 106.0(6) . . ?
F11 C64 F12 105.0(7) . . ?
F10 C64 F12 105.2(6) . . ?
F11 C64 C61 113.0(7) . . ?
F10 C64 C61 113.4(7) . . ?
F12 C64 C61 113.4(6) . . ?
F22 F25 C80 69(2) . . ?
F22 F25 F24 122(3) . . ?
C80 F25 F24 56.4(16) . . ?
F24 F26 C80 65(2) . . ?
F24 F26 F23 118(3) . . ?
C80 F26 F23 54.2(15) . . ?
F23 F27 C80 61(2) . . ?
F23 F27 F22 115(3) . . ?
C80 F27 F22 56.3(15) . . ?

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
C7 P1 C13 C14 109.5(6) . . . . ?
C1 P1 C13 C14 10.0(6) . . . . ?
Ru1 P1 C13 C14 -116.6(5) . . . . ?
C7 P1 C13 C21 -80.0(6) . . . . ?
C1 P1 C13 C21 -179.5(6) . . . . ?
Ru1 P1 C13 C21 53.9(6) . . . . ?
C25 C24 C29 C28 0.3(11) . . . . ?
C23 C24 C29 C28 -170.9(7) . . . . ?
C40 C39 C38 C37 0.1(10) . . . . ?
C45 C39 C38 C37 174.5(6) . . . . ?
Ru1 C39 C38 C37 -55.4(6) . . . . ?
C40 C39 C38 C44 -169.4(6) . . . . ?
C45 C39 C38 C44 5.1(10) . . . . ?
Ru1 C39 C38 C44 135.2(6) . . . . ?
C40 C39 C38 Ru1 55.4(6) . . . . ?
C45 C39 C38 Ru1 -130.1(6) . . . . ?
C35 C36 C31 C32 -1.8(11) . . . . ?
C35 C36 C31 C30 169.6(7) . . . . ?
C35 C36 C31 Ru1 93.3(8) . . . . ?
C31 C36 C35 C34 -1.3(11) . . . . ?
C36 C35 C34 C33 0.8(11) . . . . ?
C36 C31 C30 C23 64.5(12) . . . . ?
C32 C31 C30 C23 -124.1(10) . . . . ?
Ru1 C31 C30 C23 -178.0(11) . . . . ?
C36 C31 C30 Ru1 -117.5(7) . . . . ?
C32 C31 C30 Ru1 53.9(6) . . . . ?
C51 C50 C49 C54 -0.7(10) . . . . ?
C51 C50 C49 B1 174.2(7) . . . . ?
C53 C54 C49 C50 -1.3(11) . . . . ?
C53 C54 C49 B1 -176.2(7) . . . . ?
C65 C70 C69 C68 0.3(11) . . . . ?
C65 C70 C69 C72 179.1(7) . . . . ?
C77 C76 C75 C74 2.5(10) . . . . ?
C77 C76 C75 C79 178.2(7) . . . . ?
C73 C74 C75 C76 0.6(11) . . . . ?
C73 C74 C75 C79 -175.1(7) . . . . ?
C39 C38 C37 C42 -2.6(10) . . . . ?
C44 C38 C37 C42 166.6(6) . . . . ?
Ru1 C38 C37 C42 -58.9(6) . . . . ?
C39 C38 C37 C43 -179.2(6) . . . . ?
C44 C38 C37 C43 -10.0(10) . . . . ?
Ru1 C38 C37 C43 124.5(6) . . . . ?
C39 C38 C37 Ru1 56.3(6) . . . . ?
C44 C38 C37 Ru1 -134.5(6) . . . . ?
C41 C42 C37 C38 6.2(10) . . . . ?
C48 C42 C37 C38 -170.3(7) . . . . ?
Ru1 C42 C37 C38 58.0(6) . . . . ?
C41 C42 C37 C43 -177.1(6) . . . . ?
C48 C42 C37 C43 6.4(10) . . . . ?
Ru1 C42 C37 C43 -125.3(6) . . . . ?
C41 C42 C37 Ru1 -51.8(6) . . . . ?
C48 C42 C37 Ru1 131.7(7) . . . . ?
C3 C2 C1 C6 1.8(11) . . . . ?
C3 C2 C1 P1 168.2(6) . . . . ?
C7 P1 C1 C6 116.2(6) . . . . ?
C13 P1 C1 C6 -138.4(6) . . . . ?
Ru1 P1 C1 C6 -17.7(7) . . . . ?
C7 P1 C1 C2 -50.3(7) . . . . ?
C13 P1 C1 C2 55.1(7) . . . . ?
Ru1 P1 C1 C2 175.8(5) . . . . ?
C59 C58 C57 C62 0.0(11) . . . . ?
C59 C58 C57 B1 -178.4(7) . . . . ?
C61 C62 C57 C58 -1.3(10) . . . . ?
C61 C62 C57 B1 177.0(7) . . . . ?
C49 C50 C51 C52 2.2(11) . . . . ?
C49 C50 C51 C55 -178.2(7) . . . . ?
C19 C20 C21 C13 -176.2(7) . . . . ?
C23 C20 C21 C13 5.5(12) . . . . ?
C19 C20 C21 C22 5.3(10) . . . . ?
C23 C20 C21 C22 -173.0(7) . . . . ?
C14 C13 C21 C20 -179.9(7) . . . . ?
P1 C13 C21 C20 10.0(10) . . . . ?
C14 C13 C21 C22 -1.4(10) . . . . ?
P1 C13 C21 C22 -171.6(5) . . . . ?
C22 C17 C18 C19 0.2(12) . . . . ?
C50 C51 C52 C53 -1.7(12) . . . . ?
C55 C51 C52 C53 178.8(7) . . . . ?
C2 C1 C6 C5 -0.9(11) . . . . ?
P1 C1 C6 C5 -168.0(6) . . . . ?
C70 C69 C68 C67 -0.3(11) . . . . ?
C72 C69 C68 C67 -179.1(7) . . . . ?
C29 C24 C25 C26 0.0(12) . . . . ?
C23 C24 C25 C26 171.2(7) . . . . ?
C18 C17 C22 C16 177.5(7) . . . . ?
C18 C17 C22 C21 1.4(11) . . . . ?
C20 C21 C22 C17 -4.2(10) . . . . ?
C13 C21 C22 C17 177.2(7) . . . . ?
C20 C21 C22 C16 179.9(6) . . . . ?
C13 C21 C22 C16 1.2(10) . . . . ?
C21 C13 C14 C15 1.4(11) . . . . ?
P1 C13 C14 C15 172.4(5) . . . . ?
C16 C15 C14 C13 -1.2(11) . . . . ?
C77 C78 C73 C74 0.5(10) . . . . ?
C77 C78 C73 B1 -177.2(7) . . . . ?
C75 C74 C73 C78 -2.1(10) . . . . ?
C75 C74 C73 B1 175.6(6) . . . . ?
C52 C51 C55 F3 3.7(12) . . . . ?
C50 C51 C55 F3 -175.9(7) . . . . ?
C52 C51 C55 F1 127.1(8) . . . . ?
C50 C51 C55 F1 -52.4(10) . . . . ?
C52 C51 C55 F2 -115.9(9) . . . . ?
C50 C51 C55 F2 64.5(10) . . . . ?
C69 C70 C65 C66 -0.2(10) . . . . ?
C69 C70 C65 B1 -178.5(6) . . . . ?
C67 C66 C65 C70 0.2(10) . . . . ?
C67 C66 C65 B1 178.4(7) . . . . ?
C65 C66 C67 C68 -0.2(11) . . . . ?
C65 C66 C67 C71 178.8(7) . . . . ?
C69 C68 C67 C66 0.3(11) . . . . ?
C69 C68 C67 C71 -178.7(7) . . . . ?
F13 C71 C67 C66 20.5(11) . . . . ?
F14 C71 C67 C66 -99.6(9) . . . . ?
F15 C71 C67 C66 140.6(7) . . . . ?
F13 C71 C67 C68 -160.4(7) . . . . ?
F14 C71 C67 C68 79.4(9) . . . . ?
F15 C71 C67 C68 -40.4(10) . . . . ?
C21 C20 C19 C18 -4.0(11) . . . . ?
C23 C20 C19 C18 174.5(7) . . . . ?
C17 C18 C19 C20 1.1(11) . . . . ?
C5 C4 C3 C2 -0.9(11) . . . . ?
C1 C2 C3 C4 -1.0(11) . . . . ?
C37 C42 C41 C40 -7.4(10) . . . . ?
C48 C42 C41 C40 169.1(7) . . . . ?
Ru1 C42 C41 C40 -58.6(6) . . . . ?
C37 C42 C41 C47 179.2(6) . . . . ?
C48 C42 C41 C47 -4.3(11) . . . . ?
Ru1 C42 C41 C47 128.0(7) . . . . ?
C37 C42 C41 Ru1 51.2(6) . . . . ?
C48 C42 C41 Ru1 -132.3(7) . . . . ?
C14 C15 C16 C22 1.0(11) . . . . ?
C17 C22 C16 C15 -177.2(7) . . . . ?
C21 C22 C16 C15 -1.1(11) . . . . ?
C35 C34 C33 C32 2.8(11) . . . . ?
C76 C75 C79 F21 -86.7(9) . . . . ?
C74 C75 C79 F21 89.0(9) . . . . ?
C76 C75 C79 F19 152.1(7) . . . . ?
C74 C75 C79 F19 -32.2(10) . . . . ?
C76 C75 C79 F20 33.1(10) . . . . ?
C74 C75 C79 F20 -151.2(7) . . . . ?
C68 C69 C72 F18 135.9(8) . . . . ?
C70 C69 C72 F18 -42.9(10) . . . . ?
C68 C69 C72 F17 -104.3(9) . . . . ?
C70 C69 C72 F17 76.9(10) . . . . ?
C68 C69 C72 F16 16.6(11) . . . . ?
C70 C69 C72 F16 -162.2(7) . . . . ?
C7 C8 C9 C10 0.3(11) . . . . ?
C11 C10 C9 C8 0.5(12) . . . . ?
C9 C8 C7 C12 -2.9(11) . . . . ?
C9 C8 C7 P1 -173.0(6) . . . . ?
C13 P1 C7 C8 2.3(7) . . . . ?
C1 P1 C7 C8 113.1(6) . . . . ?
Ru1 P1 C7 C8 -119.5(5) . . . . ?
C13 P1 C7 C12 -167.5(6) . . . . ?
C1 P1 C7 C12 -56.7(6) . . . . ?
Ru1 P1 C7 C12 70.8(7) . . . . ?
C9 C10 C11 C12 1.5(13) . . . . ?
C3 C4 C5 C6 1.9(11) . . . . ?
C1 C6 C5 C4 -1.0(11) . . . . ?
C10 C11 C12 C7 -4.3(13) . . . . ?
C8 C7 C12 C11 4.9(11) . . . . ?
P1 C7 C12 C11 175.2(6) . . . . ?
C36 C31 C32 C33 5.2(10) . . . . ?
C30 C31 C32 C33 -166.4(6) . . . . ?
Ru1 C31 C32 C33 -119.6(6) . . . . ?
C36 C31 C32 Ru1 124.8(7) . . . . ?
C30 C31 C32 Ru1 -46.8(6) . . . . ?
C34 C33 C32 C31 -5.9(11) . . . . ?
C34 C33 C32 Ru1 -86.9(9) . . . . ?
C70 C65 B1 C73 28.6(9) . . . . ?
C66 C65 B1 C73 -149.5(6) . . . . ?
C70 C65 B1 C49 -90.1(8) . . . . ?
C66 C65 B1 C49 91.8(8) . . . . ?
C70 C65 B1 C57 149.6(6) . . . . ?
C66 C65 B1 C57 -28.6(9) . . . . ?
C78 C73 B1 C65 -132.7(7) . . . . ?
C74 C73 B1 C65 49.8(8) . . . . ?
C78 C73 B1 C49 -12.6(9) . . . . ?
C74 C73 B1 C49 169.9(6) . . . . ?
C78 C73 B1 C57 107.0(7) . . . . ?
C74 C73 B1 C57 -70.5(8) . . . . ?
C50 C49 B1 C65 32.5(9) . . . . ?
C54 C49 B1 C65 -152.9(6) . . . . ?
C50 C49 B1 C73 -87.9(8) . . . . ?
C54 C49 B1 C73 86.7(8) . . . . ?
C50 C49 B1 C57 152.4(6) . . . . ?
C54 C49 B1 C57 -33.1(9) . . . . ?
C58 C57 B1 C65 85.4(8) . . . . ?
C62 C57 B1 C65 -92.8(8) . . . . ?
C58 C57 B1 C73 -153.4(7) . . . . ?
C62 C57 B1 C73 28.4(9) . . . . ?
C58 C57 B1 C49 -35.0(9) . . . . ?
C62 C57 B1 C49 146.8(7) . . . . ?
C73 C78 C77 C76 2.6(11) . . . . ?
C73 C78 C77 C80 179.6(7) . . . . ?
C75 C76 C77 C78 -4.1(11) . . . . ?
C75 C76 C77 C80 178.9(7) . . . . ?
C24 C25 C26 C27 -1.7(13) . . . . ?
C28 C27 C26 C25 3.0(13) . . . . ?
C26 C27 C28 C29 -2.6(12) . . . . ?
C24 C29 C28 C27 1.0(12) . . . . ?
F26 F24 C80 F23 14(3) . . . . ?
F25 F24 C80 F23 -133(2) . . . . ?
F25 F24 C80 F26 -147(2) . . . . ?
F26 F24 C80 F25 147(2) . . . . ?
F26 F24 C80 F22 133(2) . . . . ?
F25 F24 C80 F22 -14(2) . . . . ?
F26 F24 C80 F27 63(4) . . . . ?
F25 F24 C80 F27 -84(3) . . . . ?
F26 F24 C80 C77 -106.3(18) . . . . ?
F25 F24 C80 C77 106.7(12) . . . . ?
F25 F22 C80 F23 141(3) . . . . ?
F27 F22 C80 F23 -13(2) . . . . ?
F25 F22 C80 F24 19(3) . . . . ?
F27 F22 C80 F24 -135(2) . . . . ?
F25 F22 C80 F26 66(3) . . . . ?
F27 F22 C80 F26 -88(2) . . . . ?
F27 F22 C80 F25 -154(3) . . . . ?
F25 F22 C80 F27 154(3) . . . . ?
F25 F22 C80 C77 -101.4(19) . . . . ?
F27 F22 C80 C77 104.3(12) . . . . ?
C78 C77 C80 F23 118(2) . . . . ?
C76 C77 C80 F23 -65(2) . . . . ?
C78 C77 C80 F24 -118(3) . . . . ?
C76 C77 C80 F24 59(3) . . . . ?
C78 C77 C80 F26 -169.7(10) . . . . ?
C76 C77 C80 F26 7.3(13) . . . . ?
C78 C77 C80 F25 -46.5(13) . . . . ?
C76 C77 C80 F25 130.5(10) . . . . ?
C78 C77 C80 F22 0(3) . . . . ?
C76 C77 C80 F22 177(2) . . . . ?
C78 C77 C80 F27 70.2(12) . . . . ?
C76 C77 C80 F27 -112.8(11) . . . . ?
C61 C60 C59 C58 0.7(13) . . . . ?
C61 C60 C59 C63 -179.9(9) . . . . ?
C57 C58 C59 C60 0.4(13) . . . . ?
C57 C58 C59 C63 -179.1(9) . . . . ?
F9 C63 C59 C60 47.7(18) . . . . ?
F7 C63 C59 C60 177.8(10) . . . . ?
F8 C63 C59 C60 -67.0(13) . . . . ?
F9 C63 C59 C58 -132.9(12) . . . . ?
F7 C63 C59 C58 -2.7(17) . . . . ?
F8 C63 C59 C58 112.4(10) . . . . ?
C51 C52 C53 C54 -0.3(12) . . . . ?
C51 C52 C53 C56 -179.3(8) . . . . ?
C49 C54 C53 C52 1.8(12) . . . . ?
C49 C54 C53 C56 -179.2(8) . . . . ?
C52 C53 C56 F5 -6.7(14) . . . . ?
C54 C53 C56 F5 174.3(9) . . . . ?
C52 C53 C56 F6 -132.4(8) . . . . ?
C54 C53 C56 F6 48.6(12) . . . . ?
C52 C53 C56 F4 114.4(9) . . . . ?
C54 C53 C56 F4 -64.6(11) . . . . ?
C31 C30 C23 C24 19.6(14) . . . . ?
Ru1 C30 C23 C24 -157.2(7) . . . . ?
C31 C30 C23 C20 -164.2(8) . . . . ?
Ru1 C30 C23 C20 19.0(13) . . . . ?
C29 C24 C23 C30 166.2(7) . . . . ?
C25 C24 C23 C30 -4.7(12) . . . . ?
C29 C24 C23 C20 -10.1(10) . . . . ?
C25 C24 C23 C20 179.0(7) . . . . ?
C19 C20 C23 C30 120.8(7) . . . . ?
C21 C20 C23 C30 -60.8(10) . . . . ?
C19 C20 C23 C24 -62.7(8) . . . . ?
C21 C20 C23 C24 115.7(8) . . . . ?
C38 C39 C40 C41 -1.2(10) . . . . ?
C45 C39 C40 C41 -175.5(6) . . . . ?
Ru1 C39 C40 C41 53.1(6) . . . . ?
C38 C39 C40 C46 172.2(7) . . . . ?
C45 C39 C40 C46 -2.1(11) . . . . ?
Ru1 C39 C40 C46 -133.5(7) . . . . ?
C38 C39 C40 Ru1 -54.3(6) . . . . ?
C45 C39 C40 Ru1 131.4(6) . . . . ?
C42 C41 C40 C39 5.0(10) . . . . ?
C47 C41 C40 C39 178.3(6) . . . . ?
Ru1 C41 C40 C39 -53.6(6) . . . . ?
C42 C41 C40 C46 -168.9(7) . . . . ?
C47 C41 C40 C46 4.5(10) . . . . ?
Ru1 C41 C40 C46 132.6(6) . . . . ?
C42 C41 C40 Ru1 58.5(6) . . . . ?
C47 C41 C40 Ru1 -128.1(6) . . . . ?
F24 C80 F23 F27 134(3) . . . . ?
F26 C80 F23 F27 145(3) . . . . ?
F25 C80 F23 F27 55(4) . . . . ?
F22 C80 F23 F27 17(3) . . . . ?
C77 C80 F23 F27 -103(2) . . . . ?
F24 C80 F23 F26 -11(3) . . . . ?
F25 C80 F23 F26 -90(3) . . . . ?
F22 C80 F23 F26 -128.8(19) . . . . ?
F27 C80 F23 F26 -145(3) . . . . ?
C77 C80 F23 F26 111.2(12) . . . . ?
C59 C60 C61 C62 -2.0(12) . . . . ?
C59 C60 C61 C64 176.6(8) . . . . ?
C57 C62 C61 C60 2.4(11) . . . . ?
C57 C62 C61 C64 -176.1(7) . . . . ?
C60 C61 C64 F11 -80.8(10) . . . . ?
C62 C61 C64 F11 97.7(8) . . . . ?
C60 C61 C64 F10 39.9(10) . . . . ?
C62 C61 C64 F10 -141.6(7) . . . . ?
C60 C61 C64 F12 159.8(7) . . . . ?
C62 C61 C64 F12 -21.6(11) . . . . ?
F27 F22 F25 C80 26(3) . . . . ?
C80 F22 F25 F24 -20(3) . . . . ?
F27 F22 F25 F24 6(5) . . . . ?
F23 C80 F25 F22 -61(4) . . . . ?
F24 C80 F25 F22 -160(3) . . . . ?
F26 C80 F25 F22 -135(3) . . . . ?
F27 C80 F25 F22 -24(3) . . . . ?
C77 C80 F25 F22 97(2) . . . . ?
F23 C80 F25 F24 99(4) . . . . ?
F26 C80 F25 F24 25(2) . . . . ?
F22 C80 F25 F24 160(3) . . . . ?
F27 C80 F25 F24 136(2) . . . . ?
C77 C80 F25 F24 -103(2) . . . . ?
F26 F24 F25 F22 -12(5) . . . . ?
C80 F24 F25 F22 22(3) . . . . ?
F26 F24 F25 C80 -34(3) . . . . ?
F25 F24 F26 C80 31(2) . . . . ?
C80 F24 F26 F23 -13(3) . . . . ?
F25 F24 F26 F23 19(5) . . . . ?
F23 C80 F26 F24 -166(3) . . . . ?
F25 C80 F26 F24 -31(3) . . . . ?
F22 C80 F26 F24 -72(4) . . . . ?
F27 C80 F26 F24 -141(3) . . . . ?
C77 C80 F26 F24 95(2) . . . . ?
F24 C80 F26 F23 166(3) . . . . ?
F25 C80 F26 F23 135(2) . . . . ?
F22 C80 F26 F23 95(3) . . . . ?
F27 C80 F26 F23 25(2) . . . . ?
C77 C80 F26 F23 -98(2) . . . . ?
F27 F23 F26 F24 -26(5) . . . . ?
C80 F23 F26 F24 14(3) . . . . ?
F27 F23 F26 C80 -40(3) . . . . ?
F26 F23 F27 C80 35(3) . . . . ?
C80 F23 F27 F22 -16(3) . . . . ?
F26 F23 F27 F22 19(5) . . . . ?
F24 C80 F27 F23 -76(4) . . . . ?
F26 C80 F27 F23 -33(3) . . . . ?
F25 C80 F27 F23 -145(3) . . . . ?
F22 C80 F27 F23 -163(3) . . . . ?
C77 C80 F27 F23 93(3) . . . . ?
F23 C80 F27 F22 163(3) . . . . ?
F24 C80 F27 F22 87(4) . . . . ?
F26 C80 F27 F22 130(2) . . . . ?
F25 C80 F27 F22 17.7(19) . . . . ?
C77 C80 F27 F22 -104.3(19) . . . . ?
F25 F22 F27 F23 -11(5) . . . . ?
C80 F22 F27 F23 17(3) . . . . ?
F25 F22 F27 C80 -28(3) . . . . ?

_refine_diff_density_max         0.707
_refine_diff_density_min         -0.926
_refine_diff_density_rms         0.114

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2b
_database_code_depnum_ccdc_archive 'CCDC 1826397'
_audit_update_record             
;
2018-02-28 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H54 B F24 P Ru'
_chemical_formula_weight         1469.96

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'
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.9248(16)
_cell_length_b                   13.0190(15)
_cell_length_c                   19.015(2)
_cell_angle_alpha                82.752(4)
_cell_angle_beta                 84.077(3)
_cell_angle_gamma                84.036(4)
_cell_volume                     3143.7(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    8549
_cell_measurement_theta_min      3.1682
_cell_measurement_theta_max      31.2666

_exptl_crystal_description       Prism
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_F_000             1484
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    0.389
_shelx_estimated_absorpt_T_min   0.926
_shelx_estimated_absorpt_T_max   0.937
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_max  0.9322
_exptl_absorpt_correction_T_min  0.9139
_exptl_absorpt_process_details   '(NUMABS; Rigaku, 2005)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            23489
_diffrn_reflns_av_unetI/netI     0.0695
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.168
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             12065
_reflns_number_gt                9533
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RIGAKU CrystalClear'
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_structure_solution    SIR-2014
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2009(Wakita Nemoto et al.)'
_computing_publication_material  'Yadokari-XG 2009(Wakita,Nemoto et al.)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0622P)²+0.9401P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12065
_refine_ls_number_parameters     864
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0512
_refine_ls_wR_factor_ref         0.1271
_refine_ls_wR_factor_gt          0.1158
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.20465(2) 0.45289(2) 0.76926(2) 0.01539(9) Uani 1 1 d . . . . .
P1 P 0.24076(7) 0.62025(6) 0.66423(4) 0.01530(18) Uani 1 1 d . . . . .
F4 F 0.18784(17) 0.94554(16) 0.64998(12) 0.0370(6) Uani 1 1 d . . . . .
F13 F -0.67968(16) 0.98389(17) 0.87575(12) 0.0335(5) Uani 1 1 d . . . . .
F5 F 0.15409(19) 1.10748(16) 0.65863(13) 0.0431(6) Uani 1 1 d . . . . .
F1 F 0.09473(17) 0.96773(16) 0.95097(12) 0.0338(5) Uani 1 1 d . . . . .
F21 F -0.59027(16) 0.97820(16) 0.56727(12) 0.0334(5) Uani 1 1 d . . . . .
F10 F -0.23568(19) 1.42545(15) 0.90787(12) 0.0376(6) Uani 1 1 d . . . . .
F3 F 0.15133(18) 0.82780(16) 0.90542(12) 0.0394(6) Uani 1 1 d . . . . .
F14 F -0.62067(16) 1.09496(17) 0.93130(13) 0.0371(6) Uani 1 1 d . . . . .
F9 F -0.2573(2) 1.48517(15) 0.65480(12) 0.0490(7) Uani 1 1 d . . . . .
F19 F -0.61719(16) 1.03475(18) 0.66932(13) 0.0397(6) Uani 1 1 d . . . . .
F15 F -0.66423(18) 0.95010(19) 0.98798(12) 0.0449(6) Uani 1 1 d . . . . .
F6 F 0.05921(17) 1.0295(2) 0.60007(12) 0.0426(6) Uani 1 1 d . . . . .
F12 F -0.2184(2) 1.27202(17) 0.95983(13) 0.0565(8) Uani 1 1 d . . . . .
F7 F -0.2146(2) 1.35534(16) 0.59728(12) 0.0432(6) Uani 1 1 d . . . . .
F20 F -0.54545(19) 1.12827(16) 0.58020(14) 0.0452(7) Uani 1 1 d . . . . .
F2 F -0.00045(19) 0.8411(2) 0.96441(14) 0.0523(7) Uani 1 1 d . . . . .
F8 F -0.37460(18) 1.3990(2) 0.62588(13) 0.0532(7) Uani 1 1 d . . . . .
C13 C 0.3522(3) 0.6633(2) 0.69796(17) 0.0185(7) Uani 1 1 d . . . . .
F23 F -0.1845(2) 0.8198(2) 0.51396(15) 0.0644(9) Uani 1 1 d . . . . .
F11 F -0.3702(2) 1.3467(2) 0.94590(14) 0.0597(8) Uani 1 1 d . . . . .
C61 C -0.3995(2) 1.0194(2) 0.68562(17) 0.0161(7) Uani 1 1 d . . . . .
H61 H -0.4370 1.0744 0.7087 0.019 Uiso 1 1 calc R U . . .
C36 C -0.1371(2) 0.9864(2) 0.78521(17) 0.0155(7) Uani 1 1 d . . . . .
C44 C -0.2768(2) 1.1418(2) 0.77926(17) 0.0149(7) Uani 1 1 d . . . . .
C60 C -0.3019(2) 0.9786(2) 0.70770(17) 0.0156(7) Uani 1 1 d . . . . .
F22 F -0.2948(2) 0.7142(2) 0.55626(17) 0.0621(9) Uani 1 1 d . . . . .
C65 C -0.2498(3) 0.8991(2) 0.67027(18) 0.0181(7) Uani 1 1 d . . . . .
H65 H -0.1831 0.8693 0.6830 0.022 Uiso 1 1 calc R U . . .
C43 C 0.1090(3) 1.0193(3) 0.65897(19) 0.0210(7) Uani 1 1 d . . . . .
C47 C -0.2737(2) 1.3605(2) 0.78145(18) 0.0180(7) Uani 1 1 d . . . . .
H47 H -0.2722 1.4332 0.7822 0.022 Uiso 1 1 calc R U . . .
C45 C -0.2774(2) 1.2121(2) 0.71663(17) 0.0161(7) Uani 1 1 d . . . . .
H45 H -0.2786 1.1862 0.6722 0.019 Uiso 1 1 calc R U . . .
C37 C -0.0910(3) 0.9498(2) 0.84803(18) 0.0172(7) Uani 1 1 d . . . . .
H37 H -0.1344 0.9349 0.8908 0.021 Uiso 1 1 calc R U . . .
C62 C -0.4435(3) 0.9823(2) 0.63110(18) 0.0183(7) Uani 1 1 d . . . . .
C41 C -0.0682(2) 1.0093(2) 0.72466(18) 0.0163(7) Uani 1 1 d . . . . .
H41 H -0.0966 1.0356 0.6811 0.020 Uiso 1 1 calc R U . . .
C20 C 0.2926(3) 0.7706(2) 0.54860(18) 0.0226(8) Uani 1 1 d . . . . .
H20 H 0.3629 0.7564 0.5600 0.027 Uiso 1 1 calc R U . . .
C52 C -0.3378(3) 0.9560(2) 0.84332(17) 0.0170(7) Uani 1 1 d . . . . .
C49 C -0.2740(2) 1.1857(2) 0.84270(17) 0.0165(7) Uani 1 1 d . . . . .
H49 H -0.2724 1.1411 0.8862 0.020 Uiso 1 1 calc R U . . .
F17 F -0.2589(2) 0.6621(2) 0.9528(2) 0.0795(11) Uani 1 1 d . . . . .
C2 C 0.1436(3) 0.4515(2) 0.66946(17) 0.0178(7) Uani 1 1 d . . . . .
C53 C -0.4367(3) 1.0006(2) 0.86613(17) 0.0182(7) Uani 1 1 d . . . . .
H53 H -0.4553 1.0720 0.8512 0.022 Uiso 1 1 calc R U . . .
C4 C 0.1296(2) 0.6080(2) 0.72632(17) 0.0158(7) Uani 1 1 d . . . . .
C57 C -0.3151(3) 0.8514(2) 0.86867(18) 0.0201(7) Uani 1 1 d . . . . .
H57 H -0.2489 0.8177 0.8543 0.024 Uiso 1 1 calc R U . . .
C5 C 0.0727(3) 0.6835(3) 0.76812(19) 0.0235(8) Uani 1 1 d . . . . .
H5 H 0.1062 0.7404 0.7791 0.028 Uiso 1 1 calc R U . . .
C39 C 0.0836(3) 0.9571(2) 0.78844(18) 0.0179(7) Uani 1 1 d . . . . .
H39 H 0.1573 0.9466 0.7898 0.022 Uiso 1 1 calc R U . . .
C38 C 0.0171(3) 0.9348(2) 0.84942(18) 0.0176(7) Uani 1 1 d . . . . .
C24 C 0.1115(3) 0.7374(3) 0.57108(19) 0.0229(8) Uani 1 1 d . . . . .
H24 H 0.0581 0.6999 0.5974 0.028 Uiso 1 1 calc R U . . .
C46 C -0.2762(2) 1.3192(2) 0.71811(18) 0.0175(7) Uani 1 1 d . . . . .
F24 F -0.1616(2) 0.7231(2) 0.60993(16) 0.0702(10) Uani 1 1 d . . . . .
C22 C 0.1652(3) 0.8678(3) 0.47725(19) 0.0279(9) Uani 1 1 d . . . . .
H22 H 0.1480 0.9208 0.4401 0.034 Uiso 1 1 calc R U . . .
C19 C 0.2144(3) 0.7163(2) 0.58798(17) 0.0182(7) Uani 1 1 d . . . . .
C40 C 0.0398(3) 0.9952(2) 0.72544(18) 0.0175(7) Uani 1 1 d . . . . .
C64 C -0.2930(3) 0.8627(2) 0.61502(18) 0.0182(7) Uani 1 1 d . . . . .
C63 C -0.3902(3) 0.9043(2) 0.59494(17) 0.0189(7) Uani 1 1 d . . . . .
H63 H -0.4195 0.8798 0.5571 0.023 Uiso 1 1 calc R U . . .
C3 C 0.0758(3) 0.5223(2) 0.70949(17) 0.0171(7) Uani 1 1 d . . . . .
C58 C -0.6172(3) 0.9925(3) 0.92704(19) 0.0258(8) Uani 1 1 d . . . . .
C55 C -0.4831(3) 0.8401(3) 0.93452(19) 0.0261(8) Uani 1 1 d . . . . .
H55 H -0.5317 0.8011 0.9648 0.031 Uiso 1 1 calc R U . . .
C1 C 0.2487(3) 0.4849(2) 0.65543(17) 0.0176(7) Uani 1 1 d . . . . .
C66 C -0.5485(3) 1.0298(3) 0.6122(2) 0.0268(8) Uani 1 1 d . . . . .
C48 C -0.2734(3) 1.2924(2) 0.84396(18) 0.0178(7) Uani 1 1 d . . . . .
C56 C -0.3851(3) 0.7947(3) 0.91401(19) 0.0242(8) Uani 1 1 d . . . . .
C9 C 0.3349(3) 0.4271(2) 0.61175(18) 0.0200(7) Uani 1 1 d . . . . .
H9 H 0.3177 0.3546 0.6122 0.024 Uiso 1 1 calc R U . . .
H9A H 0.4007 0.4245 0.6346 0.024 Uiso 1 1 calc R U . . .
C18 C 0.3359(3) 0.7515(3) 0.7340(2) 0.0278(8) Uani 1 1 d . . . . .
H18 H 0.2674 0.7843 0.7421 0.033 Uiso 1 1 calc R U . . .
C30 C 0.3475(3) 0.3790(3) 0.8201(2) 0.0392(11) Uani 1 1 d . . . . .
C54 C -0.5095(3) 0.9436(3) 0.91024(17) 0.0205(7) Uani 1 1 d . . . . .
C50 C -0.2801(3) 1.3885(3) 0.64951(19) 0.0227(8) Uani 1 1 d . . . . .
C23 C 0.0874(3) 0.8132(3) 0.5158(2) 0.0284(8) Uani 1 1 d . . . . .
H23 H 0.0172 0.8278 0.5042 0.034 Uiso 1 1 calc R U . . .
C42 C 0.0648(3) 0.8928(3) 0.9174(2) 0.0264(8) Uani 1 1 d . . . . .
C51 C -0.2744(3) 1.3336(3) 0.91399(19) 0.0246(8) Uani 1 1 d . . . . .
C10 C 0.3530(3) 0.4752(3) 0.53445(19) 0.0314(9) Uani 1 1 d . . . . .
H10 H 0.2879 0.4797 0.5115 0.047 Uiso 1 1 calc R U . . .
H10A H 0.4072 0.4317 0.5091 0.047 Uiso 1 1 calc R U . . .
H10B H 0.3755 0.5451 0.5332 0.047 Uiso 1 1 calc R U . . .
C16 C 0.5197(3) 0.7454(3) 0.7442(2) 0.0313(9) Uani 1 1 d . . . . .
H16 H 0.5771 0.7730 0.7602 0.038 Uiso 1 1 calc R U . . .
C21 C 0.2675(3) 0.8454(3) 0.49266(19) 0.0284(9) Uani 1 1 d . . . . .
H21 H 0.3210 0.8812 0.4650 0.034 Uiso 1 1 calc R U . . .
C11 C 0.1041(3) 0.3631(3) 0.6397(2) 0.0249(8) Uani 1 1 d . . . . .
H11 H 0.0514 0.3309 0.6748 0.030 Uiso 1 1 calc R U . . .
H11A H 0.1627 0.3095 0.6310 0.030 Uiso 1 1 calc R U . . .
C8 C -0.0326(3) 0.5170(3) 0.7356(2) 0.0250(8) Uani 1 1 d . . . . .
H8 H -0.0692 0.4619 0.7252 0.030 Uiso 1 1 calc R U . . .
B1 B -0.2627(3) 1.0157(3) 0.77933(19) 0.0148(7) Uani 1 1 d . . . . .
C14 C 0.4530(3) 0.6187(3) 0.6841(2) 0.0294(9) Uani 1 1 d . . . . .
H14 H 0.4652 0.5597 0.6585 0.035 Uiso 1 1 calc R U . . .
C6 C -0.0282(3) 0.6737(3) 0.7918(2) 0.0302(9) Uani 1 1 d . . . . .
H6 H -0.0646 0.7231 0.8203 0.036 Uiso 1 1 calc R U . . .
C27 C 0.1368(3) 0.3811(3) 0.87631(19) 0.0285(9) Uani 1 1 d . . . . .
C29 C 0.2852(3) 0.3016(3) 0.8057(2) 0.0333(10) Uani 1 1 d . . . . .
C17 C 0.4200(3) 0.7913(3) 0.7580(2) 0.0327(9) Uani 1 1 d . . . . .
H17 H 0.4086 0.8500 0.7838 0.039 Uiso 1 1 calc R U . . .
C67 C -0.2339(3) 0.7809(3) 0.5743(2) 0.0286(9) Uani 1 1 d . . . . .
C28 C 0.1797(3) 0.3016(3) 0.8349(2) 0.0309(9) Uani 1 1 d . . . . .
C15 C 0.5364(3) 0.6600(3) 0.7075(2) 0.0347(9) Uani 1 1 d . . . . .
H15 H 0.6055 0.6290 0.6981 0.042 Uiso 1 1 calc R U . . .
C12 C 0.0550(3) 0.4007(3) 0.5700(2) 0.0373(10) Uani 1 1 d . . . . .
H12 H -0.0019 0.4548 0.5783 0.056 Uiso 1 1 calc R U . . .
H12A H 0.0275 0.3421 0.5526 0.056 Uiso 1 1 calc R U . . .
H12B H 0.1082 0.4291 0.5343 0.056 Uiso 1 1 calc R U . . .
F16 F -0.4149(3) 0.6408(3) 0.9876(3) 0.135(2) Uani 1 1 d . . . . .
F18 F -0.3563(4) 0.6242(2) 0.8840(2) 0.1159(17) Uani 1 1 d . . . . .
C7 C -0.0821(3) 0.5898(3) 0.7747(2) 0.0330(9) Uani 1 1 d . . . . .
H7 H -0.1536 0.5858 0.7912 0.040 Uiso 1 1 calc R U . . .
C26 C 0.1968(4) 0.4611(3) 0.88571(18) 0.0314(9) Uani 1 1 d . . . . .
C25 C 0.3030(4) 0.4591(3) 0.8601(2) 0.0372(11) Uani 1 1 d . . . . .
C59 C -0.3546(3) 0.6828(3) 0.9372(3) 0.0435(12) Uani 1 1 d . . . . .
C68 C 0.4630(4) 0.3732(5) 0.7955(4) 0.100(3) Uani 1 1 d . . . . .
H68 H 0.4875 0.4426 0.7920 0.150 Uiso 1 1 calc R U . . .
H68A H 0.4746 0.3476 0.7488 0.150 Uiso 1 1 calc R U . . .
H68B H 0.5018 0.3257 0.8298 0.150 Uiso 1 1 calc R U . . .
C35 C 0.3336(6) 0.2174(4) 0.7605(3) 0.086(2) Uani 1 1 d . . . . .
H35 H 0.3592 0.1562 0.7916 0.129 Uiso 1 1 calc R U . . .
H35A H 0.3919 0.2436 0.7285 0.129 Uiso 1 1 calc R U . . .
H35B H 0.2808 0.1982 0.7323 0.129 Uiso 1 1 calc R U . . .
C32 C 0.1451(5) 0.5487(4) 0.9268(3) 0.076(2) Uani 1 1 d . . . . .
H32 H 0.0730 0.5658 0.9146 0.115 Uiso 1 1 calc R U . . .
H32A H 0.1839 0.6101 0.9144 0.115 Uiso 1 1 calc R U . . .
H32B H 0.1450 0.5265 0.9781 0.115 Uiso 1 1 calc R U . . .
C34 C 0.1159(5) 0.2150(4) 0.8238(3) 0.080(2) Uani 1 1 d . . . . .
H34 H 0.1098 0.1665 0.8675 0.120 Uiso 1 1 calc R U . . .
H34A H 0.1504 0.1781 0.7847 0.120 Uiso 1 1 calc R U . . .
H34B H 0.0461 0.2445 0.8119 0.120 Uiso 1 1 calc R U . . .
C33 C 0.0256(4) 0.3800(5) 0.9096(3) 0.0715(18) Uani 1 1 d . . . . .
H33 H 0.0234 0.3889 0.9602 0.107 Uiso 1 1 calc R U . . .
H33A H -0.0007 0.3136 0.9047 0.107 Uiso 1 1 calc R U . . .
H33B H -0.0181 0.4370 0.8855 0.107 Uiso 1 1 calc R U . . .
C31 C 0.3691(6) 0.5416(5) 0.8794(3) 0.095(3) Uani 1 1 d . . . . .
H31 H 0.3806 0.5281 0.9300 0.143 Uiso 1 1 calc R U . . .
H31A H 0.3323 0.6108 0.8697 0.143 Uiso 1 1 calc R U . . .
H31B H 0.4366 0.5383 0.8507 0.143 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ru1 C2 2.132(3) . ?
Ru1 C3 2.168(3) . ?
Ru1 C1 2.179(3) . ?
Ru1 C29 2.196(3) . ?
Ru1 C26 2.222(3) . ?
Ru1 C28 2.230(3) . ?
Ru1 C4 2.241(3) . ?
Ru1 C30 2.244(4) . ?
Ru1 C27 2.260(3) . ?
Ru1 C25 2.262(4) . ?
Ru1 P1 2.8062(9) . ?
P1 C4 1.770(3) . ?
P1 C1 1.783(3) . ?
P1 C13 1.803(3) . ?
P1 C19 1.827(3) . ?
F4 C43 1.338(4) . ?
F13 C58 1.350(4) . ?
F5 C43 1.339(4) . ?
F1 C42 1.339(4) . ?
F21 C66 1.338(4) . ?
F10 C51 1.331(4) . ?
F3 C42 1.349(4) . ?
F14 C58 1.343(4) . ?
F9 C50 1.340(4) . ?
F19 C66 1.334(4) . ?
F15 C58 1.334(4) . ?
F6 C43 1.334(4) . ?
F12 C51 1.326(4) . ?
F7 C50 1.322(4) . ?
F20 C66 1.350(4) . ?
F2 C42 1.332(4) . ?
F8 C50 1.332(4) . ?
C13 C14 1.384(5) . ?
C13 C18 1.396(5) . ?
F23 C67 1.323(4) . ?
F11 C51 1.326(4) . ?
C61 C62 1.392(4) . ?
C61 C60 1.402(4) . ?
C36 C37 1.398(4) . ?
C36 C41 1.401(4) . ?
C36 B1 1.640(5) . ?
C44 C49 1.403(4) . ?
C44 C45 1.408(4) . ?
C44 B1 1.633(5) . ?
C60 C65 1.404(4) . ?
C60 B1 1.645(5) . ?
F22 C67 1.328(4) . ?
C65 C64 1.394(4) . ?
C43 C40 1.491(5) . ?
C47 C46 1.384(5) . ?
C47 C48 1.390(5) . ?
C45 C46 1.399(4) . ?
C37 C38 1.392(4) . ?
C62 C63 1.383(5) . ?
C62 C66 1.490(5) . ?
C41 C40 1.390(4) . ?
C20 C21 1.389(5) . ?
C20 C19 1.392(5) . ?
C52 C57 1.398(4) . ?
C52 C53 1.398(5) . ?
C52 B1 1.643(5) . ?
C49 C48 1.393(4) . ?
F17 C59 1.295(5) . ?
C2 C3 1.438(5) . ?
C2 C1 1.457(5) . ?
C2 C11 1.501(4) . ?
C53 C54 1.402(4) . ?
C4 C5 1.438(5) . ?
C4 C3 1.459(4) . ?
C57 C56 1.387(5) . ?
C5 C6 1.349(5) . ?
C39 C38 1.389(5) . ?
C39 C40 1.391(4) . ?
C38 C42 1.505(5) . ?
C24 C23 1.386(5) . ?
C24 C19 1.392(5) . ?
C46 C50 1.492(4) . ?
F24 C67 1.325(4) . ?
C22 C21 1.377(5) . ?
C22 C23 1.385(5) . ?
C64 C63 1.387(5) . ?
C64 C67 1.494(5) . ?
C3 C8 1.443(5) . ?
C58 C54 1.491(5) . ?
C55 C56 1.381(5) . ?
C55 C54 1.386(5) . ?
C1 C9 1.513(4) . ?
C48 C51 1.496(5) . ?
C56 C59 1.492(5) . ?
C9 C10 1.528(5) . ?
C18 C17 1.391(5) . ?
C30 C25 1.409(6) . ?
C30 C29 1.422(6) . ?
C30 C68 1.515(6) . ?
C16 C15 1.373(6) . ?
C16 C17 1.377(6) . ?
C11 C12 1.532(5) . ?
C8 C7 1.346(5) . ?
C14 C15 1.389(5) . ?
C6 C7 1.441(5) . ?
C27 C26 1.400(6) . ?
C27 C28 1.412(5) . ?
C27 C33 1.510(6) . ?
C29 C28 1.419(6) . ?
C29 C35 1.522(6) . ?
C28 C34 1.511(6) . ?
F16 C59 1.275(5) . ?
F18 C59 1.345(6) . ?
C26 C25 1.407(6) . ?
C26 C32 1.522(5) . ?
C25 C31 1.540(6) . ?

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
C2 Ru1 C3 39.08(12) . . ?
C2 Ru1 C1 39.47(12) . . ?
C3 Ru1 C1 66.69(13) . . ?
C2 Ru1 C29 111.72(14) . . ?
C3 Ru1 C29 141.84(15) . . ?
C1 Ru1 C29 107.24(13) . . ?
C2 Ru1 C26 155.90(15) . . ?
C3 Ru1 C26 120.02(14) . . ?
C1 Ru1 C26 160.52(14) . . ?
C29 Ru1 C26 78.87(13) . . ?
C2 Ru1 C28 108.22(13) . . ?
C3 Ru1 C28 115.78(13) . . ?
C1 Ru1 C28 129.46(13) . . ?
C29 Ru1 C28 37.39(15) . . ?
C26 Ru1 C28 66.38(13) . . ?
C2 Ru1 C4 66.72(12) . . ?
C3 Ru1 C4 38.59(11) . . ?
C1 Ru1 C4 69.52(12) . . ?
C29 Ru1 C4 176.53(13) . . ?
C26 Ru1 C4 103.78(12) . . ?
C28 Ru1 C4 145.71(14) . . ?
C2 Ru1 C30 135.49(15) . . ?
C3 Ru1 C30 174.01(14) . . ?
C1 Ru1 C30 107.40(14) . . ?
C29 Ru1 C30 37.34(16) . . ?
C26 Ru1 C30 65.88(16) . . ?
C28 Ru1 C30 66.76(15) . . ?
C4 Ru1 C30 141.66(15) . . ?
C2 Ru1 C27 126.28(13) . . ?
C3 Ru1 C27 107.82(13) . . ?
C1 Ru1 C27 162.97(13) . . ?
C29 Ru1 C27 66.40(14) . . ?
C26 Ru1 C27 36.39(14) . . ?
C28 Ru1 C27 36.65(14) . . ?
C4 Ru1 C27 117.05(13) . . ?
C30 Ru1 C27 77.52(13) . . ?
C2 Ru1 C25 167.33(15) . . ?
C3 Ru1 C25 148.06(15) . . ?
C1 Ru1 C25 128.03(15) . . ?
C29 Ru1 C25 66.70(15) . . ?
C26 Ru1 C25 36.56(16) . . ?
C28 Ru1 C25 78.41(13) . . ?
C4 Ru1 C25 114.08(13) . . ?
C30 Ru1 C25 36.43(17) . . ?
C27 Ru1 C25 65.46(15) . . ?
C2 Ru1 P1 62.56(9) . . ?
C3 Ru1 P1 61.78(8) . . ?
C1 Ru1 P1 39.44(8) . . ?
C29 Ru1 P1 137.52(11) . . ?
C26 Ru1 P1 124.67(9) . . ?
C28 Ru1 P1 168.84(10) . . ?
C4 Ru1 P1 39.07(8) . . ?
C30 Ru1 P1 114.58(10) . . ?
C27 Ru1 P1 153.61(10) . . ?
C25 Ru1 P1 109.44(10) . . ?
C4 P1 C1 90.41(15) . . ?
C4 P1 C13 115.20(16) . . ?
C1 P1 C13 115.40(16) . . ?
C4 P1 C19 112.06(15) . . ?
C1 P1 C19 120.12(15) . . ?
C13 P1 C19 103.90(15) . . ?
C4 P1 Ru1 52.96(10) . . ?
C1 P1 Ru1 50.95(10) . . ?
C13 P1 Ru1 98.35(10) . . ?
C19 P1 Ru1 157.36(11) . . ?
C14 C13 C18 119.2(3) . . ?
C14 C13 P1 122.8(3) . . ?
C18 C13 P1 117.6(3) . . ?
C62 C61 C60 122.4(3) . . ?
C37 C36 C41 116.0(3) . . ?
C37 C36 B1 125.2(3) . . ?
C41 C36 B1 118.4(3) . . ?
C49 C44 C45 115.9(3) . . ?
C49 C44 B1 120.2(3) . . ?
C45 C44 B1 123.3(3) . . ?
C61 C60 C65 115.8(3) . . ?
C61 C60 B1 119.2(3) . . ?
C65 C60 B1 124.7(3) . . ?
C64 C65 C60 122.0(3) . . ?
F6 C43 F4 105.8(3) . . ?
F6 C43 F5 106.7(3) . . ?
F4 C43 F5 105.5(3) . . ?
F6 C43 C40 113.3(3) . . ?
F4 C43 C40 112.6(3) . . ?
F5 C43 C40 112.2(3) . . ?
C46 C47 C48 118.0(3) . . ?
C46 C45 C44 121.7(3) . . ?
C38 C37 C36 121.6(3) . . ?
C63 C62 C61 120.5(3) . . ?
C63 C62 C66 121.2(3) . . ?
C61 C62 C66 118.3(3) . . ?
C40 C41 C36 123.0(3) . . ?
C21 C20 C19 119.8(3) . . ?
C57 C52 C53 115.7(3) . . ?
C57 C52 B1 121.7(3) . . ?
C53 C52 B1 121.6(3) . . ?
C48 C49 C44 122.2(3) . . ?
C3 C2 C1 111.3(3) . . ?
C3 C2 C11 122.3(3) . . ?
C1 C2 C11 126.0(3) . . ?
C3 C2 Ru1 71.82(18) . . ?
C1 C2 Ru1 72.03(18) . . ?
C11 C2 Ru1 129.1(2) . . ?
C52 C53 C54 122.2(3) . . ?
C5 C4 C3 118.8(3) . . ?
C5 C4 P1 129.7(2) . . ?
C3 C4 P1 107.6(2) . . ?
C5 C4 Ru1 125.7(2) . . ?
C3 C4 Ru1 67.99(17) . . ?
P1 C4 Ru1 87.97(13) . . ?
C56 C57 C52 122.8(3) . . ?
C6 C5 C4 120.0(3) . . ?
C38 C39 C40 118.4(3) . . ?
C39 C38 C37 121.2(3) . . ?
C39 C38 C42 118.2(3) . . ?
C37 C38 C42 120.5(3) . . ?
C23 C24 C19 119.7(3) . . ?
C47 C46 C45 121.3(3) . . ?
C47 C46 C50 120.5(3) . . ?
C45 C46 C50 118.2(3) . . ?
C21 C22 C23 120.2(3) . . ?
C24 C19 C20 119.8(3) . . ?
C24 C19 P1 117.9(3) . . ?
C20 C19 P1 122.3(3) . . ?
C41 C40 C39 119.8(3) . . ?
C41 C40 C43 120.5(3) . . ?
C39 C40 C43 119.7(3) . . ?
C63 C64 C65 120.6(3) . . ?
C63 C64 C67 118.5(3) . . ?
C65 C64 C67 120.8(3) . . ?
C62 C63 C64 118.7(3) . . ?
C2 C3 C8 129.2(3) . . ?
C2 C3 C4 112.3(3) . . ?
C8 C3 C4 118.5(3) . . ?
C2 C3 Ru1 69.10(18) . . ?
C8 C3 Ru1 123.6(2) . . ?
C4 C3 Ru1 73.42(18) . . ?
F15 C58 F14 106.8(3) . . ?
F15 C58 F13 106.4(3) . . ?
F14 C58 F13 105.1(3) . . ?
F15 C58 C54 113.3(3) . . ?
F14 C58 C54 113.2(3) . . ?
F13 C58 C54 111.4(3) . . ?
C56 C55 C54 119.0(3) . . ?
C2 C1 C9 122.5(3) . . ?
C2 C1 P1 108.0(2) . . ?
C9 C1 P1 124.8(2) . . ?
C2 C1 Ru1 68.50(18) . . ?
C9 C1 Ru1 127.0(2) . . ?
P1 C1 Ru1 89.61(13) . . ?
F19 C66 F21 106.7(3) . . ?
F19 C66 F20 106.1(3) . . ?
F21 C66 F20 105.9(3) . . ?
F19 C66 C62 112.2(3) . . ?
F21 C66 C62 113.3(3) . . ?
F20 C66 C62 112.2(3) . . ?
C47 C48 C49 121.0(3) . . ?
C47 C48 C51 120.0(3) . . ?
C49 C48 C51 119.0(3) . . ?
C55 C56 C57 120.3(3) . . ?
C55 C56 C59 120.7(3) . . ?
C57 C56 C59 118.9(3) . . ?
C1 C9 C10 114.2(3) . . ?
C17 C18 C13 120.1(3) . . ?
C25 C30 C29 120.0(4) . . ?
C25 C30 C68 119.5(5) . . ?
C29 C30 C68 120.4(5) . . ?
C25 C30 Ru1 72.5(2) . . ?
C29 C30 Ru1 69.5(2) . . ?
C68 C30 Ru1 133.1(3) . . ?
C55 C54 C53 120.0(3) . . ?
C55 C54 C58 120.2(3) . . ?
C53 C54 C58 119.7(3) . . ?
F7 C50 F8 106.0(3) . . ?
F7 C50 F9 105.7(3) . . ?
F8 C50 F9 105.8(3) . . ?
F7 C50 C46 113.7(3) . . ?
F8 C50 C46 112.2(3) . . ?
F9 C50 C46 112.8(3) . . ?
C22 C23 C24 120.2(3) . . ?
F2 C42 F1 105.9(3) . . ?
F2 C42 F3 107.3(3) . . ?
F1 C42 F3 105.8(3) . . ?
F2 C42 C38 112.9(3) . . ?
F1 C42 C38 112.7(3) . . ?
F3 C42 C38 111.7(3) . . ?
F11 C51 F12 106.4(3) . . ?
F11 C51 F10 106.3(3) . . ?
F12 C51 F10 105.5(3) . . ?
F11 C51 C48 112.1(3) . . ?
F12 C51 C48 113.3(3) . . ?
F10 C51 C48 112.7(3) . . ?
C15 C16 C17 120.3(3) . . ?
C22 C21 C20 120.1(3) . . ?
C2 C11 C12 111.1(3) . . ?
C7 C8 C3 120.3(3) . . ?
C44 B1 C36 103.3(2) . . ?
C44 B1 C52 112.4(3) . . ?
C36 B1 C52 114.4(3) . . ?
C44 B1 C60 112.6(3) . . ?
C36 B1 C60 112.4(3) . . ?
C52 B1 C60 102.1(2) . . ?
C13 C14 C15 120.0(3) . . ?
C5 C6 C7 121.4(3) . . ?
C26 C27 C28 120.1(4) . . ?
C26 C27 C33 120.2(4) . . ?
C28 C27 C33 119.6(4) . . ?
C26 C27 Ru1 70.3(2) . . ?
C28 C27 Ru1 70.5(2) . . ?
C33 C27 Ru1 131.6(3) . . ?
C28 C29 C30 120.1(3) . . ?
C28 C29 C35 120.4(5) . . ?
C30 C29 C35 119.4(5) . . ?
C28 C29 Ru1 72.6(2) . . ?
C30 C29 Ru1 73.2(2) . . ?
C35 C29 Ru1 127.6(3) . . ?
C16 C17 C18 119.8(3) . . ?
F23 C67 F24 105.7(3) . . ?
F23 C67 F22 105.6(3) . . ?
F24 C67 F22 105.4(3) . . ?
F23 C67 C64 112.9(3) . . ?
F24 C67 C64 113.5(3) . . ?
F22 C67 C64 113.0(3) . . ?
C27 C28 C29 119.1(3) . . ?
C27 C28 C34 120.9(4) . . ?
C29 C28 C34 120.0(4) . . ?
C27 C28 Ru1 72.8(2) . . ?
C29 C28 Ru1 70.0(2) . . ?
C34 C28 Ru1 130.8(3) . . ?
C16 C15 C14 120.4(4) . . ?
C8 C7 C6 121.1(3) . . ?
C27 C26 C25 121.2(3) . . ?
C27 C26 C32 118.2(4) . . ?
C25 C26 C32 120.6(4) . . ?
C27 C26 Ru1 73.3(2) . . ?
C25 C26 Ru1 73.3(2) . . ?
C32 C26 Ru1 127.7(3) . . ?
C26 C25 C30 119.2(4) . . ?
C26 C25 C31 119.3(5) . . ?
C30 C25 C31 121.4(5) . . ?
C26 C25 Ru1 70.1(2) . . ?
C30 C25 Ru1 71.1(2) . . ?
C31 C25 Ru1 133.4(3) . . ?
F16 C59 F17 108.9(4) . . ?
F16 C59 F18 104.0(4) . . ?
F17 C59 F18 101.3(4) . . ?
F16 C59 C56 115.0(4) . . ?
F17 C59 C56 114.8(3) . . ?
F18 C59 C56 111.3(4) . . ?

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
C4 P1 C13 C14 136.1(3) . . . . ?
C1 P1 C13 C14 32.7(3) . . . . ?
C19 P1 C13 C14 -100.9(3) . . . . ?
Ru1 P1 C13 C14 83.3(3) . . . . ?
C4 P1 C13 C18 -49.8(3) . . . . ?
C1 P1 C13 C18 -153.3(3) . . . . ?
C19 P1 C13 C18 73.1(3) . . . . ?
Ru1 P1 C13 C18 -102.7(3) . . . . ?
C62 C61 C60 C65 1.3(4) . . . . ?
C62 C61 C60 B1 -171.8(3) . . . . ?
C61 C60 C65 C64 -0.5(5) . . . . ?
B1 C60 C65 C64 172.3(3) . . . . ?
C49 C44 C45 C46 -0.5(4) . . . . ?
B1 C44 C45 C46 -171.7(3) . . . . ?
C41 C36 C37 C38 -1.6(4) . . . . ?
B1 C36 C37 C38 -174.7(3) . . . . ?
C60 C61 C62 C63 -1.7(5) . . . . ?
C60 C61 C62 C66 179.2(3) . . . . ?
C37 C36 C41 C40 1.2(4) . . . . ?
B1 C36 C41 C40 174.8(3) . . . . ?
C45 C44 C49 C48 0.9(5) . . . . ?
B1 C44 C49 C48 172.4(3) . . . . ?
C57 C52 C53 C54 -1.4(5) . . . . ?
B1 C52 C53 C54 167.3(3) . . . . ?
C1 P1 C4 C5 174.2(3) . . . . ?
C13 P1 C4 C5 55.7(4) . . . . ?
C19 P1 C4 C5 -62.8(4) . . . . ?
Ru1 P1 C4 C5 136.9(4) . . . . ?
C1 P1 C4 C3 -28.8(2) . . . . ?
C13 P1 C4 C3 -147.3(2) . . . . ?
C19 P1 C4 C3 94.2(2) . . . . ?
Ru1 P1 C4 C3 -66.13(19) . . . . ?
C1 P1 C4 Ru1 37.37(13) . . . . ?
C13 P1 C4 Ru1 -81.14(15) . . . . ?
C19 P1 C4 Ru1 160.35(12) . . . . ?
C53 C52 C57 C56 -0.5(5) . . . . ?
B1 C52 C57 C56 -169.2(3) . . . . ?
C3 C4 C5 C6 0.8(5) . . . . ?
P1 C4 C5 C6 155.7(3) . . . . ?
Ru1 C4 C5 C6 -81.6(4) . . . . ?
C40 C39 C38 C37 0.0(5) . . . . ?
C40 C39 C38 C42 179.6(3) . . . . ?
C36 C37 C38 C39 1.0(5) . . . . ?
C36 C37 C38 C42 -178.5(3) . . . . ?
C48 C47 C46 C45 -0.6(5) . . . . ?
C48 C47 C46 C50 178.0(3) . . . . ?
C44 C45 C46 C47 0.4(5) . . . . ?
C44 C45 C46 C50 -178.2(3) . . . . ?
C23 C24 C19 C20 -0.9(5) . . . . ?
C23 C24 C19 P1 177.0(3) . . . . ?
C21 C20 C19 C24 0.0(5) . . . . ?
C21 C20 C19 P1 -177.8(3) . . . . ?
C4 P1 C19 C24 -24.7(3) . . . . ?
C1 P1 C19 C24 79.4(3) . . . . ?
C13 P1 C19 C24 -149.7(3) . . . . ?
Ru1 P1 C19 C24 19.5(5) . . . . ?
C4 P1 C19 C20 153.1(3) . . . . ?
C1 P1 C19 C20 -102.8(3) . . . . ?
C13 P1 C19 C20 28.1(3) . . . . ?
Ru1 P1 C19 C20 -162.7(2) . . . . ?
C36 C41 C40 C39 -0.2(5) . . . . ?
C36 C41 C40 C43 179.0(3) . . . . ?
C38 C39 C40 C41 -0.4(5) . . . . ?
C38 C39 C40 C43 -179.6(3) . . . . ?
F6 C43 C40 C41 -15.3(4) . . . . ?
F4 C43 C40 C41 -135.4(3) . . . . ?
F5 C43 C40 C41 105.7(4) . . . . ?
F6 C43 C40 C39 163.9(3) . . . . ?
F4 C43 C40 C39 43.8(4) . . . . ?
F5 C43 C40 C39 -75.1(4) . . . . ?
C60 C65 C64 C63 0.0(5) . . . . ?
C60 C65 C64 C67 177.6(3) . . . . ?
C61 C62 C63 C64 1.2(5) . . . . ?
C66 C62 C63 C64 -179.8(3) . . . . ?
C65 C64 C63 C62 -0.3(5) . . . . ?
C67 C64 C63 C62 -178.0(3) . . . . ?
C1 C2 C3 C8 -178.5(3) . . . . ?
C11 C2 C3 C8 8.3(5) . . . . ?
Ru1 C2 C3 C8 -117.0(4) . . . . ?
C1 C2 C3 C4 -0.7(4) . . . . ?
C11 C2 C3 C4 -173.9(3) . . . . ?
Ru1 C2 C3 C4 60.9(2) . . . . ?
C1 C2 C3 Ru1 -61.6(2) . . . . ?
C11 C2 C3 Ru1 125.3(3) . . . . ?
C5 C4 C3 C2 -178.1(3) . . . . ?
P1 C4 C3 C2 22.0(3) . . . . ?
Ru1 C4 C3 C2 -58.4(2) . . . . ?
C5 C4 C3 C8 0.0(5) . . . . ?
P1 C4 C3 C8 -160.0(3) . . . . ?
Ru1 C4 C3 C8 119.7(3) . . . . ?
C5 C4 C3 Ru1 -119.8(3) . . . . ?
P1 C4 C3 Ru1 80.31(16) . . . . ?
C3 C2 C1 C9 -177.5(3) . . . . ?
C11 C2 C1 C9 -4.6(5) . . . . ?
Ru1 C2 C1 C9 121.1(3) . . . . ?
C3 C2 C1 P1 -20.8(3) . . . . ?
C11 C2 C1 P1 152.1(3) . . . . ?
Ru1 C2 C1 P1 -82.19(17) . . . . ?
C3 C2 C1 Ru1 61.4(2) . . . . ?
C11 C2 C1 Ru1 -125.7(3) . . . . ?
C4 P1 C1 C2 28.6(2) . . . . ?
C13 P1 C1 C2 146.9(2) . . . . ?
C19 P1 C1 C2 -87.4(3) . . . . ?
Ru1 P1 C1 C2 67.2(2) . . . . ?
C4 P1 C1 C9 -175.4(3) . . . . ?
C13 P1 C1 C9 -57.0(3) . . . . ?
C19 P1 C1 C9 68.6(3) . . . . ?
Ru1 P1 C1 C9 -136.8(3) . . . . ?
C4 P1 C1 Ru1 -38.60(14) . . . . ?
C13 P1 C1 Ru1 79.75(16) . . . . ?
C19 P1 C1 Ru1 -154.60(14) . . . . ?
C63 C62 C66 F19 131.6(3) . . . . ?
C61 C62 C66 F19 -49.3(4) . . . . ?
C63 C62 C66 F21 10.7(5) . . . . ?
C61 C62 C66 F21 -170.2(3) . . . . ?
C63 C62 C66 F20 -109.1(4) . . . . ?
C61 C62 C66 F20 70.0(4) . . . . ?
C46 C47 C48 C49 1.0(5) . . . . ?
C46 C47 C48 C51 -177.9(3) . . . . ?
C44 C49 C48 C47 -1.2(5) . . . . ?
C44 C49 C48 C51 177.7(3) . . . . ?
C54 C55 C56 C57 -1.2(5) . . . . ?
C54 C55 C56 C59 -178.3(4) . . . . ?
C52 C57 C56 C55 1.8(5) . . . . ?
C52 C57 C56 C59 178.9(4) . . . . ?
C2 C1 C9 C10 99.3(4) . . . . ?
P1 C1 C9 C10 -53.5(4) . . . . ?
Ru1 C1 C9 C10 -174.4(2) . . . . ?
C14 C13 C18 C17 -2.5(5) . . . . ?
P1 C13 C18 C17 -176.7(3) . . . . ?
C56 C55 C54 C53 -0.6(5) . . . . ?
C56 C55 C54 C58 175.4(3) . . . . ?
C52 C53 C54 C55 2.0(5) . . . . ?
C52 C53 C54 C58 -174.1(3) . . . . ?
F15 C58 C54 C55 28.6(5) . . . . ?
F14 C58 C54 C55 150.5(3) . . . . ?
F13 C58 C54 C55 -91.3(4) . . . . ?
F15 C58 C54 C53 -155.3(3) . . . . ?
F14 C58 C54 C53 -33.4(4) . . . . ?
F13 C58 C54 C53 84.7(4) . . . . ?
C47 C46 C50 F7 134.5(3) . . . . ?
C45 C46 C50 F7 -46.8(4) . . . . ?
C47 C46 C50 F8 -105.1(4) . . . . ?
C45 C46 C50 F8 73.5(4) . . . . ?
C47 C46 C50 F9 14.1(5) . . . . ?
C45 C46 C50 F9 -167.2(3) . . . . ?
C21 C22 C23 C24 1.5(6) . . . . ?
C19 C24 C23 C22 0.2(5) . . . . ?
C39 C38 C42 F2 -157.9(3) . . . . ?
C37 C38 C42 F2 21.7(5) . . . . ?
C39 C38 C42 F1 82.2(4) . . . . ?
C37 C38 C42 F1 -98.3(4) . . . . ?
C39 C38 C42 F3 -36.8(4) . . . . ?
C37 C38 C42 F3 142.7(3) . . . . ?
C47 C48 C51 F11 95.4(4) . . . . ?
C49 C48 C51 F11 -83.5(4) . . . . ?
C47 C48 C51 F12 -144.2(3) . . . . ?
C49 C48 C51 F12 36.9(4) . . . . ?
C47 C48 C51 F10 -24.5(5) . . . . ?
C49 C48 C51 F10 156.6(3) . . . . ?
C23 C22 C21 C20 -2.3(5) . . . . ?
C19 C20 C21 C22 1.6(5) . . . . ?
C3 C2 C11 C12 80.8(4) . . . . ?
C1 C2 C11 C12 -91.4(4) . . . . ?
Ru1 C2 C11 C12 173.0(3) . . . . ?
C2 C3 C8 C7 177.6(3) . . . . ?
C4 C3 C8 C7 -0.1(5) . . . . ?
Ru1 C3 C8 C7 88.2(4) . . . . ?
C49 C44 B1 C36 -75.4(3) . . . . ?
C45 C44 B1 C36 95.4(3) . . . . ?
C49 C44 B1 C52 48.4(4) . . . . ?
C45 C44 B1 C52 -140.8(3) . . . . ?
C49 C44 B1 C60 163.1(3) . . . . ?
C45 C44 B1 C60 -26.1(4) . . . . ?
C37 C36 B1 C44 98.0(3) . . . . ?
C41 C36 B1 C44 -74.9(3) . . . . ?
C37 C36 B1 C52 -24.5(4) . . . . ?
C41 C36 B1 C52 162.6(3) . . . . ?
C37 C36 B1 C60 -140.3(3) . . . . ?
C41 C36 B1 C60 46.8(4) . . . . ?
C57 C52 B1 C44 -158.1(3) . . . . ?
C53 C52 B1 C44 33.8(4) . . . . ?
C57 C52 B1 C36 -40.7(4) . . . . ?
C53 C52 B1 C36 151.2(3) . . . . ?
C57 C52 B1 C60 80.9(3) . . . . ?
C53 C52 B1 C60 -87.2(3) . . . . ?
C61 C60 B1 C44 -48.3(4) . . . . ?
C65 C60 B1 C44 139.2(3) . . . . ?
C61 C60 B1 C36 -164.5(3) . . . . ?
C65 C60 B1 C36 23.0(4) . . . . ?
C61 C60 B1 C52 72.5(3) . . . . ?
C65 C60 B1 C52 -100.0(3) . . . . ?
C18 C13 C14 C15 1.6(5) . . . . ?
P1 C13 C14 C15 175.6(3) . . . . ?
C4 C5 C6 C7 -1.5(6) . . . . ?
C25 C30 C29 C28 -3.5(5) . . . . ?
C68 C30 C29 C28 173.7(4) . . . . ?
Ru1 C30 C29 C28 -57.6(3) . . . . ?
C25 C30 C29 C35 178.2(3) . . . . ?
C68 C30 C29 C35 -4.6(6) . . . . ?
Ru1 C30 C29 C35 124.1(3) . . . . ?
C25 C30 C29 Ru1 54.1(3) . . . . ?
C68 C30 C29 Ru1 -128.7(4) . . . . ?
C15 C16 C17 C18 -0.6(6) . . . . ?
C13 C18 C17 C16 2.0(6) . . . . ?
C63 C64 C67 F23 80.6(4) . . . . ?
C65 C64 C67 F23 -97.0(4) . . . . ?
C63 C64 C67 F24 -159.1(3) . . . . ?
C65 C64 C67 F24 23.3(5) . . . . ?
C63 C64 C67 F22 -39.2(5) . . . . ?
C65 C64 C67 F22 143.2(3) . . . . ?
C26 C27 C28 C29 2.6(5) . . . . ?
C33 C27 C28 C29 -178.1(4) . . . . ?
Ru1 C27 C28 C29 54.4(3) . . . . ?
C26 C27 C28 C34 -179.6(4) . . . . ?
C33 C27 C28 C34 -0.3(6) . . . . ?
Ru1 C27 C28 C34 -127.8(4) . . . . ?
C26 C27 C28 Ru1 -51.8(3) . . . . ?
C33 C27 C28 Ru1 127.5(4) . . . . ?
C30 C29 C28 C27 2.0(5) . . . . ?
C35 C29 C28 C27 -179.6(3) . . . . ?
Ru1 C29 C28 C27 -55.8(3) . . . . ?
C30 C29 C28 C34 -175.8(4) . . . . ?
C35 C29 C28 C34 2.5(6) . . . . ?
Ru1 C29 C28 C34 126.4(4) . . . . ?
C30 C29 C28 Ru1 57.8(3) . . . . ?
C35 C29 C28 Ru1 -123.8(4) . . . . ?
C17 C16 C15 C14 -0.2(6) . . . . ?
C13 C14 C15 C16 -0.3(6) . . . . ?
C3 C8 C7 C6 -0.5(6) . . . . ?
C5 C6 C7 C8 1.4(6) . . . . ?
C28 C27 C26 C25 -6.0(5) . . . . ?
C33 C27 C26 C25 174.8(4) . . . . ?
Ru1 C27 C26 C25 -57.9(3) . . . . ?
C28 C27 C26 C32 176.2(3) . . . . ?
C33 C27 C26 C32 -3.0(5) . . . . ?
Ru1 C27 C26 C32 124.4(3) . . . . ?
C28 C27 C26 Ru1 51.9(3) . . . . ?
C33 C27 C26 Ru1 -127.4(4) . . . . ?
C27 C26 C25 C30 4.5(5) . . . . ?
C32 C26 C25 C30 -177.8(3) . . . . ?
Ru1 C26 C25 C30 -53.4(3) . . . . ?
C27 C26 C25 C31 -172.7(4) . . . . ?
C32 C26 C25 C31 5.0(5) . . . . ?
Ru1 C26 C25 C31 129.4(3) . . . . ?
C27 C26 C25 Ru1 57.9(3) . . . . ?
C32 C26 C25 Ru1 -124.4(3) . . . . ?
C29 C30 C25 C26 0.3(5) . . . . ?
C68 C30 C25 C26 -177.0(4) . . . . ?
Ru1 C30 C25 C26 52.9(3) . . . . ?
C29 C30 C25 C31 177.4(4) . . . . ?
C68 C30 C25 C31 0.2(6) . . . . ?
Ru1 C30 C25 C31 -129.9(4) . . . . ?
C29 C30 C25 Ru1 -52.7(3) . . . . ?
C68 C30 C25 Ru1 130.1(4) . . . . ?
C55 C56 C59 F16 -14.1(7) . . . . ?
C57 C56 C59 F16 168.8(4) . . . . ?
C55 C56 C59 F17 -141.8(4) . . . . ?
C57 C56 C59 F17 41.2(6) . . . . ?
C55 C56 C59 F18 103.8(5) . . . . ?
C57 C56 C59 F18 -73.2(5) . . . . ?

_refine_diff_density_max         0.725
_refine_diff_density_min         -0.744
_refine_diff_density_rms         0.093

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 1826398'
_audit_update_record             
;
2018-02-28 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C77 H54 B F24 O P Ru'
_chemical_formula_weight         1594.05

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.7071(14)
_cell_length_b                   15.3471(14)
_cell_length_c                   19.473(2)
_cell_angle_alpha                111.924(4)
_cell_angle_beta                 92.508(5)
_cell_angle_gamma                99.722(7)
_cell_volume                     3448.6(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    9742
_cell_measurement_theta_min      2.1684
_cell_measurement_theta_max      31.3430

_exptl_crystal_description       Prism
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_F_000             1608
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.362
_shelx_estimated_absorpt_T_min   0.938
_shelx_estimated_absorpt_T_max   0.965
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_max  0.9444
_exptl_absorpt_correction_T_min  0.8764
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            28579
_diffrn_reflns_av_unetI/netI     0.1051
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.050
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_point_group_measured_fraction_full 0.981
_reflns_number_total             15231
_reflns_number_gt                9836
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RIGAKU CrystalClear'
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_structure_solution    SIR-2014
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2009(Wakita Nemoto et al.)'
_computing_publication_material  'Yadokari-XG 2009(Wakita,Nemoto et al.)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0818P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15231
_refine_ls_number_parameters     951
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0872
_refine_ls_R_factor_gt           0.0600
_refine_ls_wR_factor_ref         0.1617
_refine_ls_wR_factor_gt          0.1428
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru -0.07829(2) -0.22995(2) 0.33729(2) 0.01456(9) Uani 1 1 d . . . . .
P1 P -0.05958(8) -0.17446(6) 0.24383(5) 0.0159(2) Uani 1 1 d . . . . .
C1 C -0.1326(3) -0.0816(3) 0.2433(2) 0.0207(8) Uani 1 1 d . . . . .
C2 C -0.1344(3) -0.0545(3) 0.1827(2) 0.0261(9) Uani 1 1 d . . . . .
H2 H -0.1104 -0.0919 0.1375 0.031 Uiso 1 1 calc R U . . .
C3 C -0.1717(4) 0.0282(3) 0.1890(3) 0.0357(11) Uani 1 1 d . . . . .
H3 H -0.1756 0.0458 0.1472 0.043 Uiso 1 1 calc R U . . .
C4 C -0.2030(4) 0.0843(3) 0.2550(3) 0.0399(12) Uani 1 1 d . . . . .
H4 H -0.2264 0.1414 0.2589 0.048 Uiso 1 1 calc R U . . .
C5 C -0.2007(4) 0.0588(3) 0.3153(3) 0.0340(10) Uani 1 1 d . . . . .
H5 H -0.2228 0.0979 0.3607 0.041 Uiso 1 1 calc R U . . .
C6 C -0.1656(3) -0.0254(3) 0.3098(2) 0.0251(9) Uani 1 1 d . . . . .
H6 H -0.1644 -0.0437 0.3513 0.030 Uiso 1 1 calc R U . . .
C7 C 0.0712(3) -0.1154(3) 0.2306(2) 0.0172(8) Uani 1 1 d . . . . .
C8 C 0.1158(3) -0.1497(3) 0.1638(2) 0.0236(8) Uani 1 1 d . . . . .
H8 H 0.0843 -0.2108 0.1268 0.028 Uiso 1 1 calc R U . . .
C9 C 0.2051(3) -0.0955(3) 0.1509(2) 0.0323(10) Uani 1 1 d . . . . .
H9 H 0.2354 -0.1199 0.1054 0.039 Uiso 1 1 calc R U . . .
C10 C 0.2508(3) -0.0057(3) 0.2040(3) 0.0316(10) Uani 1 1 d . . . . .
H10 H 0.3115 0.0320 0.1947 0.038 Uiso 1 1 calc R U . . .
C11 C 0.2077(3) 0.0289(3) 0.2708(2) 0.0284(9) Uani 1 1 d . . . . .
H11 H 0.2396 0.0902 0.3074 0.034 Uiso 1 1 calc R U . . .
C12 C 0.1186(3) -0.0251(3) 0.2847(2) 0.0242(9) Uani 1 1 d . . . . .
H12 H 0.0896 -0.0010 0.3307 0.029 Uiso 1 1 calc R U . . .
C13 C -0.0980(3) -0.2812(2) 0.1597(2) 0.0184(8) Uani 1 1 d . . . . .
C14 C -0.1785(3) -0.2921(3) 0.1043(2) 0.0253(9) Uani 1 1 d . . . . .
H14 H -0.2171 -0.2424 0.1103 0.030 Uiso 1 1 calc R U . . .
C15 C -0.2024(3) -0.3762(3) 0.0400(2) 0.0267(9) Uani 1 1 d . . . . .
H15 H -0.2582 -0.3843 0.0027 0.032 Uiso 1 1 calc R U . . .
C16 C -0.1451(3) -0.4471(3) 0.0310(2) 0.0265(9) Uani 1 1 d . . . . .
H16 H -0.1595 -0.5031 -0.0136 0.032 Uiso 1 1 calc R U . . .
C17 C -0.0658(3) -0.4376(3) 0.0867(2) 0.0231(8) Uani 1 1 d . . . . .
H17 H -0.0273 -0.4877 0.0794 0.028 Uiso 1 1 calc R U . . .
C18 C -0.0419(3) -0.3560(2) 0.1529(2) 0.0185(8) Uani 1 1 d . . . . .
C19 C 0.0441(3) -0.3454(2) 0.2117(2) 0.0174(8) Uani 1 1 d . . . . .
C20 C 0.0484(3) -0.2918(2) 0.2851(2) 0.0168(7) Uani 1 1 d . . . . .
C21 C 0.1355(3) -0.3969(3) 0.1864(2) 0.0247(9) Uani 1 1 d . . . . .
C22 C 0.1252(4) -0.4937(3) 0.1744(2) 0.0357(11) Uani 1 1 d . . . . .
H22 H 0.0573 -0.5307 0.1747 0.043 Uiso 1 1 calc R U . . .
C23 C 0.2160(5) -0.5359(4) 0.1621(3) 0.0498(15) Uani 1 1 d . . . . .
H23 H 0.2099 -0.6012 0.1552 0.060 Uiso 1 1 calc R U . . .
C24 C 0.3131(5) -0.4836(4) 0.1600(3) 0.0568(16) Uani 1 1 d . . . . .
H24 H 0.3737 -0.5133 0.1506 0.068 Uiso 1 1 calc R U . . .
C25 C 0.3240(4) -0.3896(4) 0.1711(3) 0.0494(14) Uani 1 1 d . . . . .
H25 H 0.3923 -0.3536 0.1706 0.059 Uiso 1 1 calc R U . . .
C26 C 0.2354(4) -0.3461(3) 0.1832(2) 0.0327(10) Uani 1 1 d . . . . .
H26 H 0.2432 -0.2809 0.1893 0.039 Uiso 1 1 calc R U . . .
C27 C 0.1452(3) -0.2803(3) 0.3364(2) 0.0182(8) Uani 1 1 d . . . . .
C28 C 0.1673(3) -0.3575(3) 0.3531(2) 0.0213(8) Uani 1 1 d . . . . .
H28 H 0.1181 -0.4173 0.3335 0.026 Uiso 1 1 calc R U . . .
C29 C 0.2604(3) -0.3471(3) 0.3979(2) 0.0277(9) Uani 1 1 d . . . . .
H29 H 0.2753 -0.4003 0.4077 0.033 Uiso 1 1 calc R U . . .
C30 C 0.3317(3) -0.2597(3) 0.4284(2) 0.0312(10) Uani 1 1 d . . . . .
H30 H 0.3942 -0.2522 0.4604 0.037 Uiso 1 1 calc R U . . .
C31 C 0.3112(3) -0.1837(3) 0.4119(2) 0.0278(9) Uani 1 1 d . . . . .
H31 H 0.3605 -0.1239 0.4324 0.033 Uiso 1 1 calc R U . . .
C32 C 0.2204(3) -0.1931(3) 0.3661(2) 0.0236(8) Uani 1 1 d . . . . .
H32 H 0.2086 -0.1403 0.3547 0.028 Uiso 1 1 calc R U . . .
C33 C 0.0162(3) -0.1232(3) 0.4034(2) 0.0184(8) Uani 1 1 d . . . . .
O1 O 0.0687(2) -0.05709(19) 0.44988(15) 0.0269(6) Uani 1 1 d . . . . .
C34 C -0.2680(3) -0.2674(3) 0.3239(2) 0.0188(8) Uani 1 1 d . . . . .
C35 C -0.2329(3) -0.3559(3) 0.2883(2) 0.0183(8) Uani 1 1 d . . . . .
C36 C -0.1608(3) -0.3859(2) 0.3280(2) 0.0178(8) Uani 1 1 d . . . . .
C37 C -0.1205(3) -0.3273(3) 0.4041(2) 0.0188(8) Uani 1 1 d . . . . .
C38 C -0.1565(3) -0.2406(2) 0.43856(19) 0.0160(7) Uani 1 1 d . . . . .
C39 C -0.2347(3) -0.2117(3) 0.4007(2) 0.0185(8) Uani 1 1 d . . . . .
C40 C -0.3492(3) -0.2390(3) 0.2816(2) 0.0306(10) Uani 1 1 d . . . . .
H40 H -0.4218 -0.2709 0.2839 0.046 Uiso 1 1 calc R U . . .
H40A H -0.3351 -0.2581 0.2295 0.046 Uiso 1 1 calc R U . . .
H40B H -0.3435 -0.1693 0.3040 0.046 Uiso 1 1 calc R U . . .
C41 C -0.2855(3) -0.4236(3) 0.2111(2) 0.0281(9) Uani 1 1 d . . . . .
H41 H -0.2299 -0.4445 0.1790 0.042 Uiso 1 1 calc R U . . .
H41A H -0.3290 -0.3906 0.1901 0.042 Uiso 1 1 calc R U . . .
H41B H -0.3317 -0.4796 0.2144 0.042 Uiso 1 1 calc R U . . .
C42 C -0.1305(3) -0.4815(3) 0.2885(2) 0.0263(9) Uani 1 1 d . . . . .
H42 H -0.1904 -0.5329 0.2850 0.040 Uiso 1 1 calc R U . . .
H42A H -0.0670 -0.4858 0.3165 0.040 Uiso 1 1 calc R U . . .
H42B H -0.1143 -0.4879 0.2383 0.040 Uiso 1 1 calc R U . . .
C43 C -0.0455(3) -0.3573(3) 0.4489(2) 0.0254(9) Uani 1 1 d . . . . .
H43 H 0.0231 -0.3112 0.4642 0.038 Uiso 1 1 calc R U . . .
H43A H -0.0330 -0.4211 0.4186 0.038 Uiso 1 1 calc R U . . .
H43B H -0.0776 -0.3594 0.4933 0.038 Uiso 1 1 calc R U . . .
C44 C -0.1198(3) -0.1813(3) 0.5205(2) 0.0269(9) Uani 1 1 d . . . . .
H44 H -0.1678 -0.2045 0.5508 0.040 Uiso 1 1 calc R U . . .
H44A H -0.1217 -0.1139 0.5312 0.040 Uiso 1 1 calc R U . . .
H44B H -0.0463 -0.1871 0.5326 0.040 Uiso 1 1 calc R U . . .
C45 C -0.2845(3) -0.1279(3) 0.4434(2) 0.0272(9) Uani 1 1 d . . . . .
H45 H -0.3410 -0.1220 0.4104 0.041 Uiso 1 1 calc R U . . .
H45A H -0.2292 -0.0690 0.4620 0.041 Uiso 1 1 calc R U . . .
H45B H -0.3158 -0.1382 0.4855 0.041 Uiso 1 1 calc R U . . .
B1 B 0.5142(3) 0.2593(3) 0.2286(2) 0.0151(8) Uani 1 1 d . . . . .
C46 C 0.5738(3) 0.3442(2) 0.30695(19) 0.0135(7) Uani 1 1 d . . . . .
C47 C 0.6664(3) 0.3340(2) 0.3428(2) 0.0156(7) Uani 1 1 d . . . . .
H47 H 0.6894 0.2746 0.3229 0.019 Uiso 1 1 calc R U . . .
C48 C 0.7260(3) 0.4057(2) 0.4055(2) 0.0161(7) Uani 1 1 d . . . . .
C49 C 0.6945(3) 0.4934(2) 0.43767(19) 0.0160(7) Uani 1 1 d . . . . .
H49 H 0.7333 0.5425 0.4818 0.019 Uiso 1 1 calc R U . . .
C50 C 0.6039(3) 0.5064(2) 0.4026(2) 0.0158(7) Uani 1 1 d . . . . .
C51 C 0.5465(3) 0.4345(2) 0.33882(19) 0.0151(7) Uani 1 1 d . . . . .
H51 H 0.4864 0.4468 0.3158 0.018 Uiso 1 1 calc R U . . .
C52 C 0.8260(3) 0.3887(3) 0.4366(2) 0.0221(8) Uani 1 1 d . . . . .
F1 F 0.81223(18) 0.30210(15) 0.44071(13) 0.0289(5) Uani 1 1 d . . . . .
F2 F 0.90681(18) 0.39077(17) 0.39372(14) 0.0318(6) Uani 1 1 d . . . . .
F3 F 0.86509(18) 0.45416(15) 0.50487(12) 0.0279(5) Uani 1 1 d . . . . .
C53 C 0.5635(3) 0.5980(3) 0.4363(2) 0.0218(8) Uani 1 1 d . . . . .
F4 F 0.63353(19) 0.66708(16) 0.49130(14) 0.0370(6) Uani 1 1 d . . . . .
F5 F 0.47103(18) 0.58505(15) 0.46509(13) 0.0289(5) Uani 1 1 d . . . . .
F6 F 0.54374(19) 0.63525(15) 0.38569(14) 0.0308(5) Uani 1 1 d . . . . .
C54 C 0.3836(3) 0.2523(2) 0.21474(19) 0.0158(7) Uani 1 1 d . . . . .
C55 C 0.3201(3) 0.2867(2) 0.2719(2) 0.0173(7) Uani 1 1 d . . . . .
H55 H 0.3541 0.3217 0.3214 0.021 Uiso 1 1 calc R U . . .
C56 C 0.2085(3) 0.2713(3) 0.2586(2) 0.0198(8) Uani 1 1 d . . . . .
C57 C 0.1558(3) 0.2202(3) 0.1873(2) 0.0214(8) Uani 1 1 d . . . . .
H57 H 0.0798 0.2101 0.1782 0.026 Uiso 1 1 calc R U . . .
C58 C 0.2162(3) 0.1843(3) 0.1298(2) 0.0204(8) Uani 1 1 d . . . . .
C59 C 0.3288(3) 0.2012(2) 0.1440(2) 0.0173(7) Uani 1 1 d . . . . .
H59 H 0.3689 0.1766 0.1035 0.021 Uiso 1 1 calc R U . . .
C60 C 0.1430(3) 0.3123(3) 0.3201(2) 0.0280(9) Uani 1 1 d . . . . .
F7 F 0.1960(2) 0.3403(2) 0.38780(14) 0.0580(9) Uani 1 1 d . . . . .
F8 F 0.1077(3) 0.3871(2) 0.31818(18) 0.0695(10) Uani 1 1 d . . . . .
F9 F 0.0566(2) 0.2502(2) 0.32014(17) 0.0591(9) Uani 1 1 d . . . . .
C61 C 0.1634(3) 0.1298(3) 0.0515(2) 0.0330(10) Uani 1 1 d . . . . .
F10 F 0.1923(4) 0.1730(2) 0.00647(17) 0.0901(15) Uani 1 1 d . . . . .
F11 F 0.0595(2) 0.1114(4) 0.04591(19) 0.1108(18) Uani 1 1 d . . . . .
F12 F 0.1903(3) 0.0452(2) 0.02024(16) 0.0675(10) Uani 1 1 d . . . . .
C62 C 0.5778(3) 0.2814(2) 0.16398(19) 0.0150(7) Uani 1 1 d . . . . .
C63 C 0.6808(3) 0.2623(2) 0.1515(2) 0.0178(8) Uani 1 1 d . . . . .
H63 H 0.7113 0.2311 0.1790 0.021 Uiso 1 1 calc R U . . .
C64 C 0.7404(3) 0.2865(2) 0.1012(2) 0.0173(8) Uani 1 1 d . . . . .
C65 C 0.6993(3) 0.3314(2) 0.0593(2) 0.0191(8) Uani 1 1 d . . . . .
H65 H 0.7392 0.3471 0.0239 0.023 Uiso 1 1 calc R U . . .
C66 C 0.5986(3) 0.3526(2) 0.0703(2) 0.0162(7) Uani 1 1 d . . . . .
C67 C 0.5393(3) 0.3282(2) 0.12183(19) 0.0156(7) Uani 1 1 d . . . . .
H67 H 0.4703 0.3440 0.1283 0.019 Uiso 1 1 calc R U . . .
C68 C 0.8493(3) 0.2603(3) 0.0913(2) 0.0273(9) Uani 1 1 d . . . . .
F13 F 0.9143(2) 0.2972(3) 0.15476(17) 0.0629(9) Uani 1 1 d . . . . .
F14 F 0.8445(2) 0.16766(19) 0.0645(2) 0.0613(9) Uani 1 1 d . . . . .
F15 F 0.9017(2) 0.2932(2) 0.04471(19) 0.0604(9) Uani 1 1 d . . . . .
C69 C 0.5496(3) 0.4016(3) 0.0275(2) 0.0239(9) Uani 1 1 d . . . . .
F16 F 0.6049(3) 0.4084(3) -0.0260(2) 0.0851(13) Uani 1 1 d . . . . .
F17 F 0.5438(3) 0.49030(18) 0.06996(17) 0.0686(11) Uani 1 1 d . . . . .
F18 F 0.4505(2) 0.35935(18) -0.00272(16) 0.0465(8) Uani 1 1 d . . . . .
C70 C 0.5226(3) 0.1528(3) 0.2279(2) 0.0165(7) Uani 1 1 d . . . . .
C71 C 0.5120(3) 0.1322(2) 0.2914(2) 0.0180(8) Uani 1 1 d . . . . .
H71 H 0.5060 0.1823 0.3371 0.022 Uiso 1 1 calc R U . . .
C72 C 0.5097(3) 0.0404(3) 0.2899(2) 0.0238(9) Uani 1 1 d . . . . .
C73 C 0.5179(3) -0.0343(3) 0.2244(3) 0.0299(10) Uani 1 1 d . . . . .
H73 H 0.5165 -0.0968 0.2234 0.036 Uiso 1 1 calc R U . . .
C74 C 0.5280(3) -0.0161(3) 0.1603(2) 0.0287(9) Uani 1 1 d . . . . .
C75 C 0.5301(3) 0.0762(3) 0.1622(2) 0.0213(8) Uani 1 1 d . . . . .
H75 H 0.5369 0.0871 0.1176 0.026 Uiso 1 1 calc R U . . .
C76 C 0.4992(4) 0.0233(3) 0.3603(3) 0.0361(11) Uani 1 1 d . . . . .
F19 F 0.5788(3) 0.0735(3) 0.4116(2) 0.115(2) Uani 1 1 d . . . . .
F20 F 0.5000(4) -0.0655(2) 0.3520(2) 0.0814(12) Uani 1 1 d . . . . .
F21 F 0.4111(3) 0.0429(3) 0.38925(19) 0.0852(13) Uani 1 1 d . . . . .
C77 C 0.5332(5) -0.0971(3) 0.0865(3) 0.0514(15) Uani 1 1 d D . . . .
F22 F 0.6051(6) -0.0676(4) 0.0471(4) 0.0485(18) Uiso 0.528(8) 1 d D . P A 1
F23 F 0.5446(10) -0.1733(8) 0.0929(6) 0.125(4) Uiso 0.528(8) 1 d . . P A 1
F24 F 0.4461(6) -0.1649(5) 0.0721(4) 0.063(3) Uiso 0.472(8) 1 d . . P A 2
F25 F 0.4401(5) -0.1174(4) 0.0398(3) 0.056(2) Uiso 0.528(8) 1 d . . P A 1
F26 F 0.6073(6) -0.1506(4) 0.0959(3) 0.046(2) Uiso 0.472(8) 1 d . . P A 2
F27 F 0.5558(9) -0.0724(7) 0.0321(6) 0.091(3) Uiso 0.472(8) 1 d D . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ru1 C33 1.847(4) . ?
Ru1 C20 2.113(4) . ?
Ru1 P1 2.2849(10) . ?
Ru1 C38 2.294(3) . ?
Ru1 C37 2.335(3) . ?
Ru1 C34 2.361(4) . ?
Ru1 C36 2.382(3) . ?
Ru1 C35 2.384(3) . ?
Ru1 C39 2.387(4) . ?
P1 C13 1.806(4) . ?
P1 C1 1.829(4) . ?
P1 C7 1.831(4) . ?
C1 C6 1.390(5) . ?
C1 C2 1.392(5) . ?
C2 C3 1.393(5) . ?
C3 C4 1.373(7) . ?
C4 C5 1.370(6) . ?
C5 C6 1.406(5) . ?
C7 C8 1.394(5) . ?
C7 C12 1.402(5) . ?
C8 C9 1.380(6) . ?
C9 C10 1.386(6) . ?
C10 C11 1.384(6) . ?
C11 C12 1.386(6) . ?
C13 C14 1.397(5) . ?
C13 C18 1.419(5) . ?
C14 C15 1.397(5) . ?
C15 C16 1.371(6) . ?
C16 C17 1.397(6) . ?
C17 C18 1.398(5) . ?
C18 C19 1.491(5) . ?
C19 C20 1.349(5) . ?
C19 C21 1.513(5) . ?
C20 C27 1.493(5) . ?
C21 C26 1.390(6) . ?
C21 C22 1.398(6) . ?
C22 C23 1.403(7) . ?
C23 C24 1.365(8) . ?
C24 C25 1.357(8) . ?
C25 C26 1.389(6) . ?
C27 C32 1.407(5) . ?
C27 C28 1.408(5) . ?
C28 C29 1.388(5) . ?
C29 C30 1.386(6) . ?
C30 C31 1.382(6) . ?
C31 C32 1.380(5) . ?
C33 O1 1.151(4) . ?
C34 C39 1.420(5) . ?
C34 C35 1.432(5) . ?
C34 C40 1.510(5) . ?
C35 C36 1.413(5) . ?
C35 C41 1.516(5) . ?
C36 C37 1.433(5) . ?
C36 C42 1.505(5) . ?
C37 C38 1.412(5) . ?
C37 C43 1.504(5) . ?
C38 C39 1.434(5) . ?
C38 C44 1.517(5) . ?
C39 C45 1.506(5) . ?
B1 C62 1.634(5) . ?
B1 C46 1.637(5) . ?
B1 C54 1.647(5) . ?
B1 C70 1.650(5) . ?
C46 C51 1.402(5) . ?
C46 C47 1.403(5) . ?
C47 C48 1.382(5) . ?
C48 C49 1.392(5) . ?
C48 C52 1.487(5) . ?
C49 C50 1.393(5) . ?
C50 C51 1.385(5) . ?
C50 C53 1.502(5) . ?
C52 F3 1.342(4) . ?
C52 F1 1.344(4) . ?
C52 F2 1.355(5) . ?
C53 F5 1.341(4) . ?
C53 F6 1.344(4) . ?
C53 F4 1.346(4) . ?
C54 C59 1.387(5) . ?
C54 C55 1.397(5) . ?
C55 C56 1.394(5) . ?
C56 C57 1.386(5) . ?
C56 C60 1.492(5) . ?
C57 C58 1.379(5) . ?
C58 C59 1.406(5) . ?
C58 C61 1.498(5) . ?
C60 F8 1.314(5) . ?
C60 F9 1.327(5) . ?
C60 F7 1.333(5) . ?
C61 F11 1.294(5) . ?
C61 F10 1.313(5) . ?
C61 F12 1.323(5) . ?
C62 C67 1.397(5) . ?
C62 C63 1.401(5) . ?
C63 C64 1.384(5) . ?
C64 C65 1.385(5) . ?
C64 C68 1.506(5) . ?
C65 C66 1.379(5) . ?
C66 C67 1.402(5) . ?
C66 C69 1.493(5) . ?
C68 F14 1.308(5) . ?
C68 F13 1.326(5) . ?
C68 F15 1.342(5) . ?
C69 F16 1.308(5) . ?
C69 F18 1.315(4) . ?
C69 F17 1.320(5) . ?
C70 C71 1.393(5) . ?
C70 C75 1.398(5) . ?
C71 C72 1.395(5) . ?
C72 C73 1.382(6) . ?
C72 C76 1.495(6) . ?
C73 C74 1.384(6) . ?
C74 C75 1.398(5) . ?
C74 C77 1.523(6) . ?
C76 F19 1.300(5) . ?
C76 F21 1.307(6) . ?
C76 F20 1.313(5) . ?
C77 F23 1.253(12) . ?
C77 F27 1.279(10) . ?
C77 F24 1.324(8) . ?
C77 F22 1.345(8) . ?
C77 F25 1.376(8) . ?
C77 F26 1.397(8) . ?

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
C33 Ru1 C20 92.09(15) . . ?
C33 Ru1 P1 91.58(12) . . ?
C20 Ru1 P1 77.48(10) . . ?
C33 Ru1 C38 87.15(14) . . ?
C20 Ru1 C38 129.91(13) . . ?
P1 Ru1 C38 152.61(10) . . ?
C33 Ru1 C37 104.50(15) . . ?
C20 Ru1 C37 97.79(13) . . ?
P1 Ru1 C37 163.47(9) . . ?
C38 Ru1 C37 35.50(13) . . ?
C33 Ru1 C34 130.03(15) . . ?
C20 Ru1 C34 137.86(13) . . ?
P1 Ru1 C34 97.63(9) . . ?
C38 Ru1 C34 63.49(13) . . ?
C37 Ru1 C34 75.09(13) . . ?
C33 Ru1 C36 138.77(14) . . ?
C20 Ru1 C36 87.22(13) . . ?
P1 Ru1 C36 128.14(9) . . ?
C38 Ru1 C36 63.00(12) . . ?
C37 Ru1 C36 35.34(12) . . ?
C34 Ru1 C36 62.77(13) . . ?
C33 Ru1 C35 160.34(15) . . ?
C20 Ru1 C35 104.27(13) . . ?
P1 Ru1 C35 102.44(9) . . ?
C38 Ru1 C35 74.04(12) . . ?
C37 Ru1 C35 63.02(13) . . ?
C34 Ru1 C35 35.12(13) . . ?
C36 Ru1 C35 34.49(12) . . ?
C33 Ru1 C39 98.96(14) . . ?
C20 Ru1 C39 160.25(13) . . ?
P1 Ru1 C39 118.23(9) . . ?
C38 Ru1 C39 35.61(12) . . ?
C37 Ru1 C39 63.67(13) . . ?
C34 Ru1 C39 34.79(12) . . ?
C36 Ru1 C39 73.67(12) . . ?
C35 Ru1 C39 62.32(13) . . ?
C13 P1 C1 111.40(18) . . ?
C13 P1 C7 104.50(17) . . ?
C1 P1 C7 96.43(16) . . ?
C13 P1 Ru1 103.93(12) . . ?
C1 P1 Ru1 118.34(13) . . ?
C7 P1 Ru1 121.61(12) . . ?
C6 C1 C2 120.0(4) . . ?
C6 C1 P1 118.4(3) . . ?
C2 C1 P1 120.1(3) . . ?
C1 C2 C3 119.3(4) . . ?
C4 C3 C2 120.6(4) . . ?
C5 C4 C3 120.7(4) . . ?
C4 C5 C6 119.8(4) . . ?
C1 C6 C5 119.6(4) . . ?
C8 C7 C12 119.1(3) . . ?
C8 C7 P1 122.0(3) . . ?
C12 C7 P1 118.1(3) . . ?
C9 C8 C7 120.6(4) . . ?
C8 C9 C10 120.2(4) . . ?
C11 C10 C9 119.8(4) . . ?
C10 C11 C12 120.6(4) . . ?
C11 C12 C7 119.8(4) . . ?
C14 C13 C18 120.8(3) . . ?
C14 C13 P1 123.4(3) . . ?
C18 C13 P1 115.8(3) . . ?
C13 C14 C15 120.1(4) . . ?
C16 C15 C14 119.7(4) . . ?
C15 C16 C17 120.6(4) . . ?
C16 C17 C18 121.4(4) . . ?
C17 C18 C13 117.2(4) . . ?
C17 C18 C19 121.3(3) . . ?
C13 C18 C19 121.4(3) . . ?
C20 C19 C18 125.5(3) . . ?
C20 C19 C21 117.5(3) . . ?
C18 C19 C21 116.9(3) . . ?
C19 C20 C27 119.4(3) . . ?
C19 C20 Ru1 125.1(3) . . ?
C27 C20 Ru1 115.4(2) . . ?
C26 C21 C22 118.6(4) . . ?
C26 C21 C19 120.3(3) . . ?
C22 C21 C19 120.7(4) . . ?
C21 C22 C23 119.4(5) . . ?
C24 C23 C22 120.5(5) . . ?
C25 C24 C23 120.7(5) . . ?
C24 C25 C26 120.1(5) . . ?
C25 C26 C21 120.7(4) . . ?
C32 C27 C28 117.9(3) . . ?
C32 C27 C20 120.8(3) . . ?
C28 C27 C20 121.2(3) . . ?
C29 C28 C27 120.6(4) . . ?
C30 C29 C28 120.5(4) . . ?
C31 C30 C29 119.4(4) . . ?
C32 C31 C30 121.1(4) . . ?
C31 C32 C27 120.5(4) . . ?
O1 C33 Ru1 173.3(3) . . ?
C39 C34 C35 119.9(3) . . ?
C39 C34 C40 120.1(3) . . ?
C35 C34 C40 119.7(3) . . ?
C39 C34 Ru1 73.6(2) . . ?
C35 C34 Ru1 73.3(2) . . ?
C40 C34 Ru1 130.1(3) . . ?
C36 C35 C34 120.6(3) . . ?
C36 C35 C41 119.7(3) . . ?
C34 C35 C41 119.2(3) . . ?
C36 C35 Ru1 72.68(19) . . ?
C34 C35 Ru1 71.57(19) . . ?
C41 C35 Ru1 135.6(3) . . ?
C35 C36 C37 120.2(3) . . ?
C35 C36 C42 118.1(3) . . ?
C37 C36 C42 121.7(3) . . ?
C35 C36 Ru1 72.83(19) . . ?
C37 C36 Ru1 70.54(18) . . ?
C42 C36 Ru1 130.4(3) . . ?
C38 C37 C36 118.5(3) . . ?
C38 C37 C43 119.4(3) . . ?
C36 C37 C43 122.0(3) . . ?
C38 C37 Ru1 70.7(2) . . ?
C36 C37 Ru1 74.1(2) . . ?
C43 C37 Ru1 128.6(3) . . ?
C37 C38 C39 122.2(3) . . ?
C37 C38 C44 118.8(3) . . ?
C39 C38 C44 118.7(3) . . ?
C37 C38 Ru1 73.8(2) . . ?
C39 C38 Ru1 75.7(2) . . ?
C44 C38 Ru1 128.3(2) . . ?
C34 C39 C38 118.3(3) . . ?
C34 C39 C45 121.5(3) . . ?
C38 C39 C45 120.1(3) . . ?
C34 C39 Ru1 71.6(2) . . ?
C38 C39 Ru1 68.6(2) . . ?
C45 C39 Ru1 134.8(3) . . ?
C62 B1 C46 104.7(3) . . ?
C62 B1 C54 112.4(3) . . ?
C46 B1 C54 114.5(3) . . ?
C62 B1 C70 111.6(3) . . ?
C46 B1 C70 110.7(3) . . ?
C54 B1 C70 103.2(3) . . ?
C51 C46 C47 114.7(3) . . ?
C51 C46 B1 124.5(3) . . ?
C47 C46 B1 120.4(3) . . ?
C48 C47 C46 123.5(3) . . ?
C47 C48 C49 120.5(3) . . ?
C47 C48 C52 118.9(3) . . ?
C49 C48 C52 120.6(3) . . ?
C48 C49 C50 117.4(3) . . ?
C51 C50 C49 121.4(3) . . ?
C51 C50 C53 118.7(3) . . ?
C49 C50 C53 119.8(3) . . ?
C50 C51 C46 122.5(3) . . ?
F3 C52 F1 107.3(3) . . ?
F3 C52 F2 105.6(3) . . ?
F1 C52 F2 105.4(3) . . ?
F3 C52 C48 113.5(3) . . ?
F1 C52 C48 112.3(3) . . ?
F2 C52 C48 112.2(3) . . ?
F5 C53 F6 106.3(3) . . ?
F5 C53 F4 106.9(3) . . ?
F6 C53 F4 106.1(3) . . ?
F5 C53 C50 111.9(3) . . ?
F6 C53 C50 112.0(3) . . ?
F4 C53 C50 113.1(3) . . ?
C59 C54 C55 115.9(3) . . ?
C59 C54 B1 119.9(3) . . ?
C55 C54 B1 123.9(3) . . ?
C56 C55 C54 122.1(3) . . ?
C57 C56 C55 120.8(3) . . ?
C57 C56 C60 118.2(3) . . ?
C55 C56 C60 121.0(3) . . ?
C58 C57 C56 118.5(3) . . ?
C57 C58 C59 120.0(3) . . ?
C57 C58 C61 120.7(3) . . ?
C59 C58 C61 119.2(3) . . ?
C54 C59 C58 122.7(3) . . ?
F8 C60 F9 105.9(4) . . ?
F8 C60 F7 106.2(4) . . ?
F9 C60 F7 104.0(4) . . ?
F8 C60 C56 113.4(4) . . ?
F9 C60 C56 113.3(3) . . ?
F7 C60 C56 113.3(3) . . ?
F11 C61 F10 108.0(5) . . ?
F11 C61 F12 105.0(4) . . ?
F10 C61 F12 103.7(4) . . ?
F11 C61 C58 113.8(4) . . ?
F10 C61 C58 112.9(3) . . ?
F12 C61 C58 112.6(4) . . ?
C67 C62 C63 114.7(3) . . ?
C67 C62 B1 123.3(3) . . ?
C63 C62 B1 121.7(3) . . ?
C64 C63 C62 123.4(3) . . ?
C63 C64 C65 120.5(3) . . ?
C63 C64 C68 118.6(3) . . ?
C65 C64 C68 120.9(3) . . ?
C66 C65 C64 118.1(3) . . ?
C65 C66 C67 120.8(3) . . ?
C65 C66 C69 120.9(3) . . ?
C67 C66 C69 118.2(3) . . ?
C62 C67 C66 122.5(3) . . ?
F14 C68 F13 107.1(4) . . ?
F14 C68 F15 106.2(4) . . ?
F13 C68 F15 105.1(3) . . ?
F14 C68 C64 112.9(3) . . ?
F13 C68 C64 112.3(3) . . ?
F15 C68 C64 112.7(3) . . ?
F16 C69 F18 107.2(4) . . ?
F16 C69 F17 105.5(4) . . ?
F18 C69 F17 105.1(4) . . ?
F16 C69 C66 112.8(4) . . ?
F18 C69 C66 113.5(3) . . ?
F17 C69 C66 112.2(3) . . ?
C71 C70 C75 116.4(3) . . ?
C71 C70 B1 121.4(3) . . ?
C75 C70 B1 121.9(3) . . ?
C70 C71 C72 122.0(3) . . ?
C73 C72 C71 120.7(4) . . ?
C73 C72 C76 120.0(4) . . ?
C71 C72 C76 119.3(4) . . ?
C72 C73 C74 118.6(4) . . ?
C73 C74 C75 120.4(4) . . ?
C73 C74 C77 120.2(4) . . ?
C75 C74 C77 119.3(4) . . ?
C74 C75 C70 121.9(4) . . ?
F19 C76 F21 106.8(5) . . ?
F19 C76 F20 103.9(5) . . ?
F21 C76 F20 106.0(4) . . ?
F19 C76 C72 112.5(4) . . ?
F21 C76 C72 113.3(4) . . ?
F20 C76 C72 113.6(4) . . ?
F27 C77 F24 114.9(7) . . ?
F23 C77 F22 113.8(8) . . ?
F23 C77 F25 107.5(7) . . ?
F22 C77 F25 100.1(5) . . ?
F27 C77 F26 108.4(7) . . ?
F24 C77 F26 96.9(5) . . ?
F23 C77 C74 113.7(7) . . ?
F27 C77 C74 116.2(6) . . ?
F24 C77 C74 108.7(5) . . ?
F22 C77 C74 111.0(4) . . ?
F25 C77 C74 109.8(5) . . ?
F26 C77 C74 110.0(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 P1 C1 C6 142.1(3) . . . . ?
C7 P1 C1 C6 -109.6(3) . . . . ?
Ru1 P1 C1 C6 21.7(3) . . . . ?
C13 P1 C1 C2 -51.5(4) . . . . ?
C7 P1 C1 C2 56.8(3) . . . . ?
Ru1 P1 C1 C2 -171.9(3) . . . . ?
C6 C1 C2 C3 -1.4(6) . . . . ?
P1 C1 C2 C3 -167.5(3) . . . . ?
C1 C2 C3 C4 2.2(7) . . . . ?
C2 C3 C4 C5 -1.7(7) . . . . ?
C3 C4 C5 C6 0.3(7) . . . . ?
C2 C1 C6 C5 0.0(6) . . . . ?
P1 C1 C6 C5 166.4(3) . . . . ?
C4 C5 C6 C1 0.6(6) . . . . ?
C13 P1 C7 C8 5.4(4) . . . . ?
C1 P1 C7 C8 -108.7(3) . . . . ?
Ru1 P1 C7 C8 122.2(3) . . . . ?
C13 P1 C7 C12 174.7(3) . . . . ?
C1 P1 C7 C12 60.6(3) . . . . ?
Ru1 P1 C7 C12 -68.5(3) . . . . ?
C12 C7 C8 C9 -0.1(6) . . . . ?
P1 C7 C8 C9 169.2(3) . . . . ?
C7 C8 C9 C10 -0.8(6) . . . . ?
C8 C9 C10 C11 1.2(7) . . . . ?
C9 C10 C11 C12 -0.6(7) . . . . ?
C10 C11 C12 C7 -0.3(6) . . . . ?
C8 C7 C12 C11 0.6(6) . . . . ?
P1 C7 C12 C11 -169.0(3) . . . . ?
C1 P1 C13 C14 -3.9(4) . . . . ?
C7 P1 C13 C14 -107.0(3) . . . . ?
Ru1 P1 C13 C14 124.6(3) . . . . ?
C1 P1 C13 C18 177.0(3) . . . . ?
C7 P1 C13 C18 73.9(3) . . . . ?
Ru1 P1 C13 C18 -54.5(3) . . . . ?
C18 C13 C14 C15 -2.1(6) . . . . ?
P1 C13 C14 C15 178.8(3) . . . . ?
C13 C14 C15 C16 -1.3(6) . . . . ?
C14 C15 C16 C17 2.5(6) . . . . ?
C15 C16 C17 C18 -0.4(6) . . . . ?
C16 C17 C18 C13 -2.9(5) . . . . ?
C16 C17 C18 C19 -179.0(3) . . . . ?
C14 C13 C18 C17 4.1(5) . . . . ?
P1 C13 C18 C17 -176.8(3) . . . . ?
C14 C13 C18 C19 -179.8(3) . . . . ?
P1 C13 C18 C19 -0.7(5) . . . . ?
C17 C18 C19 C20 -154.0(4) . . . . ?
C13 C18 C19 C20 30.1(5) . . . . ?
C17 C18 C19 C21 27.9(5) . . . . ?
C13 C18 C19 C21 -148.1(3) . . . . ?
C18 C19 C20 C27 -173.9(3) . . . . ?
C21 C19 C20 C27 4.3(5) . . . . ?
C18 C19 C20 Ru1 11.5(5) . . . . ?
C21 C19 C20 Ru1 -170.3(3) . . . . ?
C20 C19 C21 C26 -73.8(5) . . . . ?
C18 C19 C21 C26 104.5(4) . . . . ?
C20 C19 C21 C22 98.5(5) . . . . ?
C18 C19 C21 C22 -83.3(5) . . . . ?
C26 C21 C22 C23 2.1(6) . . . . ?
C19 C21 C22 C23 -170.3(4) . . . . ?
C21 C22 C23 C24 -1.6(7) . . . . ?
C22 C23 C24 C25 1.3(8) . . . . ?
C23 C24 C25 C26 -1.5(8) . . . . ?
C24 C25 C26 C21 2.0(7) . . . . ?
C22 C21 C26 C25 -2.3(6) . . . . ?
C19 C21 C26 C25 170.1(4) . . . . ?
C19 C20 C27 C32 106.6(4) . . . . ?
Ru1 C20 C27 C32 -78.3(4) . . . . ?
C19 C20 C27 C28 -69.8(5) . . . . ?
Ru1 C20 C27 C28 105.3(3) . . . . ?
C32 C27 C28 C29 0.3(6) . . . . ?
C20 C27 C28 C29 176.8(4) . . . . ?
C27 C28 C29 C30 1.7(6) . . . . ?
C28 C29 C30 C31 -2.1(6) . . . . ?
C29 C30 C31 C32 0.7(7) . . . . ?
C30 C31 C32 C27 1.3(6) . . . . ?
C28 C27 C32 C31 -1.7(6) . . . . ?
C20 C27 C32 C31 -178.2(4) . . . . ?
C39 C34 C35 C36 -3.3(5) . . . . ?
C40 C34 C35 C36 -177.1(3) . . . . ?
Ru1 C34 C35 C36 55.9(3) . . . . ?
C39 C34 C35 C41 168.3(3) . . . . ?
C40 C34 C35 C41 -5.5(5) . . . . ?
Ru1 C34 C35 C41 -132.5(3) . . . . ?
C39 C34 C35 Ru1 -59.2(3) . . . . ?
C40 C34 C35 Ru1 127.1(3) . . . . ?
C34 C35 C36 C37 -1.0(5) . . . . ?
C41 C35 C36 C37 -172.6(3) . . . . ?
Ru1 C35 C36 C37 54.3(3) . . . . ?
C34 C35 C36 C42 177.5(3) . . . . ?
C41 C35 C36 C42 6.0(5) . . . . ?
Ru1 C35 C36 C42 -127.1(3) . . . . ?
C34 C35 C36 Ru1 -55.3(3) . . . . ?
C41 C35 C36 Ru1 133.1(3) . . . . ?
C35 C36 C37 C38 1.5(5) . . . . ?
C42 C36 C37 C38 -177.0(3) . . . . ?
Ru1 C36 C37 C38 56.9(3) . . . . ?
C35 C36 C37 C43 178.7(3) . . . . ?
C42 C36 C37 C43 0.2(5) . . . . ?
Ru1 C36 C37 C43 -125.9(3) . . . . ?
C35 C36 C37 Ru1 -55.4(3) . . . . ?
C42 C36 C37 Ru1 126.1(3) . . . . ?
C36 C37 C38 C39 2.4(5) . . . . ?
C43 C37 C38 C39 -174.9(3) . . . . ?
Ru1 C37 C38 C39 61.0(3) . . . . ?
C36 C37 C38 C44 176.1(3) . . . . ?
C43 C37 C38 C44 -1.1(5) . . . . ?
Ru1 C37 C38 C44 -125.3(3) . . . . ?
C36 C37 C38 Ru1 -58.6(3) . . . . ?
C43 C37 C38 Ru1 124.1(3) . . . . ?
C35 C34 C39 C38 7.0(5) . . . . ?
C40 C34 C39 C38 -179.3(3) . . . . ?
Ru1 C34 C39 C38 -52.1(3) . . . . ?
C35 C34 C39 C45 -169.1(3) . . . . ?
C40 C34 C39 C45 4.6(5) . . . . ?
Ru1 C34 C39 C45 131.9(3) . . . . ?
C35 C34 C39 Ru1 59.0(3) . . . . ?
C40 C34 C39 Ru1 -127.2(3) . . . . ?
C37 C38 C39 C34 -6.6(5) . . . . ?
C44 C38 C39 C34 179.6(3) . . . . ?
Ru1 C38 C39 C34 53.5(3) . . . . ?
C37 C38 C39 C45 169.5(3) . . . . ?
C44 C38 C39 C45 -4.2(5) . . . . ?
Ru1 C38 C39 C45 -130.4(3) . . . . ?
C37 C38 C39 Ru1 -60.1(3) . . . . ?
C44 C38 C39 Ru1 126.2(3) . . . . ?
C62 B1 C46 C51 86.8(4) . . . . ?
C54 B1 C46 C51 -36.7(5) . . . . ?
C70 B1 C46 C51 -152.8(3) . . . . ?
C62 B1 C46 C47 -85.6(4) . . . . ?
C54 B1 C46 C47 150.9(3) . . . . ?
C70 B1 C46 C47 34.8(4) . . . . ?
C51 C46 C47 C48 1.3(5) . . . . ?
B1 C46 C47 C48 174.4(3) . . . . ?
C46 C47 C48 C49 1.2(5) . . . . ?
C46 C47 C48 C52 -176.9(3) . . . . ?
C47 C48 C49 C50 -2.2(5) . . . . ?
C52 C48 C49 C50 175.8(3) . . . . ?
C48 C49 C50 C51 0.8(5) . . . . ?
C48 C49 C50 C53 177.7(3) . . . . ?
C49 C50 C51 C46 1.8(5) . . . . ?
C53 C50 C51 C46 -175.1(3) . . . . ?
C47 C46 C51 C50 -2.8(5) . . . . ?
B1 C46 C51 C50 -175.6(3) . . . . ?
C47 C48 C52 F3 -167.3(3) . . . . ?
C49 C48 C52 F3 14.6(5) . . . . ?
C47 C48 C52 F1 -45.4(5) . . . . ?
C49 C48 C52 F1 136.5(3) . . . . ?
C47 C48 C52 F2 73.0(4) . . . . ?
C49 C48 C52 F2 -105.0(4) . . . . ?
C51 C50 C53 F5 68.2(4) . . . . ?
C49 C50 C53 F5 -108.8(4) . . . . ?
C51 C50 C53 F6 -51.1(4) . . . . ?
C49 C50 C53 F6 131.9(3) . . . . ?
C51 C50 C53 F4 -171.0(3) . . . . ?
C49 C50 C53 F4 12.0(5) . . . . ?
C62 B1 C54 C59 44.5(4) . . . . ?
C46 B1 C54 C59 163.7(3) . . . . ?
C70 B1 C54 C59 -75.9(4) . . . . ?
C62 B1 C54 C55 -142.6(3) . . . . ?
C46 B1 C54 C55 -23.3(5) . . . . ?
C70 B1 C54 C55 97.0(4) . . . . ?
C59 C54 C55 C56 -0.5(5) . . . . ?
B1 C54 C55 C56 -173.7(3) . . . . ?
C54 C55 C56 C57 0.3(6) . . . . ?
C54 C55 C56 C60 -177.4(3) . . . . ?
C55 C56 C57 C58 0.5(6) . . . . ?
C60 C56 C57 C58 178.3(4) . . . . ?
C56 C57 C58 C59 -1.1(6) . . . . ?
C56 C57 C58 C61 -179.1(4) . . . . ?
C55 C54 C59 C58 -0.1(5) . . . . ?
B1 C54 C59 C58 173.4(3) . . . . ?
C57 C58 C59 C54 0.9(6) . . . . ?
C61 C58 C59 C54 179.0(4) . . . . ?
C57 C56 C60 F8 -73.4(5) . . . . ?
C55 C56 C60 F8 104.4(5) . . . . ?
C57 C56 C60 F9 47.2(5) . . . . ?
C55 C56 C60 F9 -135.0(4) . . . . ?
C57 C56 C60 F7 165.4(4) . . . . ?
C55 C56 C60 F7 -16.8(6) . . . . ?
C57 C58 C61 F11 -7.5(6) . . . . ?
C59 C58 C61 F11 174.4(5) . . . . ?
C57 C58 C61 F10 116.0(5) . . . . ?
C59 C58 C61 F10 -62.1(6) . . . . ?
C57 C58 C61 F12 -126.9(4) . . . . ?
C59 C58 C61 F12 55.0(5) . . . . ?
C46 B1 C62 C67 -99.4(4) . . . . ?
C54 B1 C62 C67 25.4(5) . . . . ?
C70 B1 C62 C67 140.8(3) . . . . ?
C46 B1 C62 C63 74.7(4) . . . . ?
C54 B1 C62 C63 -160.5(3) . . . . ?
C70 B1 C62 C63 -45.1(4) . . . . ?
C67 C62 C63 C64 -0.5(5) . . . . ?
B1 C62 C63 C64 -175.1(3) . . . . ?
C62 C63 C64 C65 -0.5(5) . . . . ?
C62 C63 C64 C68 -178.7(3) . . . . ?
C63 C64 C65 C66 1.2(5) . . . . ?
C68 C64 C65 C66 179.3(3) . . . . ?
C64 C65 C66 C67 -0.8(5) . . . . ?
C64 C65 C66 C69 179.6(3) . . . . ?
C63 C62 C67 C66 0.9(5) . . . . ?
B1 C62 C67 C66 175.4(3) . . . . ?
C65 C66 C67 C62 -0.2(5) . . . . ?
C69 C66 C67 C62 179.4(3) . . . . ?
C63 C64 C68 F14 63.8(5) . . . . ?
C65 C64 C68 F14 -114.4(4) . . . . ?
C63 C64 C68 F13 -57.4(5) . . . . ?
C65 C64 C68 F13 124.4(4) . . . . ?
C63 C64 C68 F15 -175.9(3) . . . . ?
C65 C64 C68 F15 5.9(5) . . . . ?
C65 C66 C69 F16 8.8(5) . . . . ?
C67 C66 C69 F16 -170.8(3) . . . . ?
C65 C66 C69 F18 130.9(4) . . . . ?
C67 C66 C69 F18 -48.7(5) . . . . ?
C65 C66 C69 F17 -110.2(4) . . . . ?
C67 C66 C69 F17 70.2(4) . . . . ?
C62 B1 C70 C71 155.5(3) . . . . ?
C46 B1 C70 C71 39.3(4) . . . . ?
C54 B1 C70 C71 -83.6(4) . . . . ?
C62 B1 C70 C75 -31.0(4) . . . . ?
C46 B1 C70 C75 -147.2(3) . . . . ?
C54 B1 C70 C75 89.9(4) . . . . ?
C75 C70 C71 C72 0.5(5) . . . . ?
B1 C70 C71 C72 174.4(3) . . . . ?
C70 C71 C72 C73 -0.2(6) . . . . ?
C70 C71 C72 C76 179.4(4) . . . . ?
C71 C72 C73 C74 -0.2(6) . . . . ?
C76 C72 C73 C74 -179.7(4) . . . . ?
C72 C73 C74 C75 0.2(6) . . . . ?
C72 C73 C74 C77 -177.8(4) . . . . ?
C73 C74 C75 C70 0.2(6) . . . . ?
C77 C74 C75 C70 178.2(4) . . . . ?
C71 C70 C75 C74 -0.5(5) . . . . ?
B1 C70 C75 C74 -174.4(4) . . . . ?
C73 C72 C76 F19 118.3(5) . . . . ?
C71 C72 C76 F19 -61.2(6) . . . . ?
C73 C72 C76 F21 -120.3(5) . . . . ?
C71 C72 C76 F21 60.1(5) . . . . ?
C73 C72 C76 F20 0.7(6) . . . . ?
C71 C72 C76 F20 -178.8(4) . . . . ?
C73 C74 C77 F23 -10.6(10) . . . . ?
C75 C74 C77 F23 171.3(8) . . . . ?
C73 C74 C77 F27 -171.7(8) . . . . ?
C75 C74 C77 F27 10.3(10) . . . . ?
C73 C74 C77 F24 56.9(7) . . . . ?
C75 C74 C77 F24 -121.1(6) . . . . ?
C73 C74 C77 F22 -140.5(5) . . . . ?
C75 C74 C77 F22 41.5(7) . . . . ?
C73 C74 C77 F25 109.8(5) . . . . ?
C75 C74 C77 F25 -68.2(6) . . . . ?
C73 C74 C77 F26 -48.0(7) . . . . ?
C75 C74 C77 F26 133.9(5) . . . . ?

_refine_diff_density_max         1.856
_refine_diff_density_min         -0.881
_refine_diff_density_rms         0.110

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2c
_database_code_depnum_ccdc_archive 'CCDC 1826399'
_audit_update_record             
;
2018-02-28 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C76 H54 B F24 P Ru'
_chemical_formula_weight         1566.04

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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.038(3)
_cell_length_b                   19.730(4)
_cell_length_c                   19.271(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.329(4)
_cell_angle_gamma                90
_cell_volume                     6829(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    9360
_cell_measurement_theta_min      2.9618
_cell_measurement_theta_max      31.3226

_exptl_crystal_description       Prism
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_F_000             3160
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.363
_shelx_estimated_absorpt_T_min   0.924
_shelx_estimated_absorpt_T_max   0.986
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_max  0.9868
_exptl_absorpt_correction_T_min  0.9578
_exptl_absorpt_process_details   '(NUMABS; Rigaku, 2005)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            50216
_diffrn_reflns_av_unetI/netI     0.1367
_diffrn_reflns_av_R_equivalents  0.1331
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.068
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             13198
_reflns_number_gt                9241
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RIGAKU CrystalClear'
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_structure_solution    SIR-2014
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2009(Wakita Nemoto et al.)'
_computing_publication_material  'Yadokari-XG 2009(Wakita,Nemoto et al.)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0351P)²+16.9189P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13198
_refine_ls_number_parameters     934
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1430
_refine_ls_R_factor_gt           0.1018
_refine_ls_wR_factor_ref         0.1907
_refine_ls_wR_factor_gt          0.1717
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_restrained_S_all      1.158
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.24402(3) 0.19460(3) 0.84466(3) 0.02120(15) Uani 1 1 d . . . . .
P1 P 0.18941(9) 0.12127(9) 0.72384(9) 0.0227(4) Uani 1 1 d . . . . .
C1 C 0.2605(3) 0.1835(3) 0.7322(3) 0.0183(13) Uani 1 1 d . . . . .
C2 C 0.2262(3) 0.2481(3) 0.7474(3) 0.0215(14) Uani 1 1 d . . . . .
C3 C 0.1550(3) 0.2377(3) 0.7750(3) 0.0180(13) Uani 1 1 d . . . . .
C4 C 0.1380(4) 0.1662(3) 0.7820(3) 0.0232(15) Uani 1 1 d . . . . .
C5 C 0.0694(4) 0.1473(4) 0.8098(3) 0.0303(16) Uani 1 1 d . . . . .
H5 H 0.0575 0.1007 0.8146 0.036 Uiso 1 1 calc R U . . .
C6 C 0.0226(4) 0.1948(4) 0.8288(3) 0.0309(17) Uani 1 1 d . . . . .
H6 H -0.0216 0.1818 0.8486 0.037 Uiso 1 1 calc R U . . .
C7 C 0.0387(4) 0.2655(4) 0.8196(3) 0.0316(17) Uani 1 1 d . . . . .
H7 H 0.0036 0.2981 0.8321 0.038 Uiso 1 1 calc R U . . .
C8 C 0.1019(3) 0.2875(3) 0.7936(3) 0.0267(16) Uani 1 1 d . . . . .
H8 H 0.1108 0.3345 0.7880 0.032 Uiso 1 1 calc R U . . .
C9 C 0.3309(4) 0.1783(3) 0.6975(3) 0.0238(15) Uani 1 1 d . . . . .
C10 C 0.3384(4) 0.1303(3) 0.6457(3) 0.0255(15) Uani 1 1 d . . . . .
H10 H 0.2988 0.0996 0.6332 0.031 Uiso 1 1 calc R U . . .
C11 C 0.4034(4) 0.1267(4) 0.6118(3) 0.0309(17) Uani 1 1 d . . . . .
H11 H 0.4080 0.0930 0.5773 0.037 Uiso 1 1 calc R U . . .
C12 C 0.4607(4) 0.1717(4) 0.6280(3) 0.0334(17) Uani 1 1 d . . . . .
H12 H 0.5040 0.1702 0.6034 0.040 Uiso 1 1 calc R U . . .
C13 C 0.4551(4) 0.2188(4) 0.6799(3) 0.0310(17) Uani 1 1 d . . . . .
H13 H 0.4952 0.2490 0.6923 0.037 Uiso 1 1 calc R U . . .
C14 C 0.3900(4) 0.2222(3) 0.7148(3) 0.0283(16) Uani 1 1 d . . . . .
H14 H 0.3864 0.2549 0.7505 0.034 Uiso 1 1 calc R U . . .
C15 C 0.2486(3) 0.3161(3) 0.7227(3) 0.0208(14) Uani 1 1 d . . . . .
C16 C 0.2646(4) 0.3230(3) 0.6539(3) 0.0289(16) Uani 1 1 d . . . . .
H16 H 0.2646 0.2842 0.6247 0.035 Uiso 1 1 calc R U . . .
C17 C 0.2804(4) 0.3859(4) 0.6280(4) 0.0342(17) Uani 1 1 d . . . . .
H17 H 0.2918 0.3899 0.5810 0.041 Uiso 1 1 calc R U . . .
C18 C 0.2799(4) 0.4437(4) 0.6691(3) 0.0323(17) Uani 1 1 d . . . . .
H18 H 0.2896 0.4870 0.6503 0.039 Uiso 1 1 calc R U . . .
C19 C 0.2649(3) 0.4368(3) 0.7387(3) 0.0279(16) Uani 1 1 d . . . . .
H19 H 0.2654 0.4754 0.7682 0.033 Uiso 1 1 calc R U . . .
C20 C 0.2492(3) 0.3732(3) 0.7641(3) 0.0225(14) Uani 1 1 d . . . . .
H20 H 0.2385 0.3688 0.8113 0.027 Uiso 1 1 calc R U . . .
C21 C 0.2152(3) 0.0373(3) 0.7510(3) 0.0208(14) Uani 1 1 d . . . . .
C22 C 0.1573(4) -0.0109(4) 0.7517(3) 0.0293(16) Uani 1 1 d . . . . .
H22 H 0.1070 0.0023 0.7406 0.035 Uiso 1 1 calc R U . . .
C23 C 0.1746(4) -0.0774(4) 0.7687(3) 0.0337(17) Uani 1 1 d . . . . .
H23 H 0.1359 -0.1099 0.7700 0.040 Uiso 1 1 calc R U . . .
C24 C 0.2471(5) -0.0970(4) 0.7837(3) 0.0375(19) Uani 1 1 d . . . . .
H24 H 0.2583 -0.1430 0.7950 0.045 Uiso 1 1 calc R U . . .
C25 C 0.3047(4) -0.0500(4) 0.7826(3) 0.0341(18) Uani 1 1 d . . . . .
H25 H 0.3548 -0.0641 0.7933 0.041 Uiso 1 1 calc R U . . .
C26 C 0.2890(4) 0.0170(3) 0.7658(3) 0.0263(15) Uani 1 1 d . . . . .
H26 H 0.3283 0.0490 0.7645 0.032 Uiso 1 1 calc R U . . .
C27 C 0.1365(3) 0.1090(3) 0.6402(3) 0.0224(14) Uani 1 1 d . . . . .
C28 C 0.0832(4) 0.1587(3) 0.6183(3) 0.0270(15) Uani 1 1 d . . . . .
H28 H 0.0762 0.1969 0.6470 0.032 Uiso 1 1 calc R U . . .
C29 C 0.0410(4) 0.1517(4) 0.5547(3) 0.0292(16) Uani 1 1 d . . . . .
H29 H 0.0042 0.1846 0.5404 0.035 Uiso 1 1 calc R U . . .
C30 C 0.0524(4) 0.0971(3) 0.5122(3) 0.0264(15) Uani 1 1 d . . . . .
H30 H 0.0236 0.0927 0.4686 0.032 Uiso 1 1 calc R U . . .
C31 C 0.1054(4) 0.0488(4) 0.5325(3) 0.0323(17) Uani 1 1 d . . . . .
H31 H 0.1132 0.0115 0.5029 0.039 Uiso 1 1 calc R U . . .
C32 C 0.1475(3) 0.0549(3) 0.5966(3) 0.0243(15) Uani 1 1 d . . . . .
H32 H 0.1840 0.0217 0.6104 0.029 Uiso 1 1 calc R U . . .
C33 C 0.2447(4) 0.1283(3) 0.9400(3) 0.0258(16) Uani 1 1 d . . . . .
C34 C 0.3181(4) 0.1273(4) 0.9199(3) 0.0297(16) Uani 1 1 d . . . . .
C35 C 0.3544(3) 0.1896(4) 0.9068(3) 0.0246(15) Uani 1 1 d . . . . .
C36 C 0.3218(4) 0.2534(3) 0.9214(3) 0.0239(15) Uani 1 1 d . . . . .
C37 C 0.2504(4) 0.2546(3) 0.9448(3) 0.0241(15) Uani 1 1 d . . . . .
C38 C 0.2108(4) 0.1918(3) 0.9533(3) 0.0246(15) Uani 1 1 d . . . . .
C39 C 0.3615(4) 0.0618(4) 0.9198(4) 0.0343(17) Uani 1 1 d . . . . .
H39 H 0.3936 0.0623 0.8815 0.051 Uiso 1 1 calc R U . . .
H39A H 0.3268 0.0236 0.9138 0.051 Uiso 1 1 calc R U . . .
H39B H 0.3922 0.0570 0.9642 0.051 Uiso 1 1 calc R U . . .
C40 C 0.4344(3) 0.1860(4) 0.8868(3) 0.0326(17) Uani 1 1 d . . . . .
H40 H 0.4677 0.1723 0.9274 0.049 Uiso 1 1 calc R U . . .
H40A H 0.4495 0.2307 0.8708 0.049 Uiso 1 1 calc R U . . .
H40B H 0.4373 0.1529 0.8493 0.049 Uiso 1 1 calc R U . . .
C41 C 0.3657(4) 0.3175(3) 0.9133(4) 0.0320(17) Uani 1 1 d . . . . .
H41 H 0.3336 0.3569 0.9185 0.048 Uiso 1 1 calc R U . . .
H41A H 0.3840 0.3184 0.8670 0.048 Uiso 1 1 calc R U . . .
H41B H 0.4080 0.3190 0.9491 0.048 Uiso 1 1 calc R U . . .
C42 C 0.2132(4) 0.3198(4) 0.9635(4) 0.0378(19) Uani 1 1 d . . . . .
H42 H 0.2085 0.3208 1.0137 0.057 Uiso 1 1 calc R U . . .
H42A H 0.1637 0.3226 0.9381 0.057 Uiso 1 1 calc R U . . .
H42B H 0.2434 0.3584 0.9508 0.057 Uiso 1 1 calc R U . . .
C43 C 0.1346(4) 0.1952(4) 0.9805(3) 0.0354(18) Uani 1 1 d . . . . .
H43 H 0.1113 0.1503 0.9772 0.053 Uiso 1 1 calc R U . . .
H43A H 0.1033 0.2276 0.9526 0.053 Uiso 1 1 calc R U . . .
H43B H 0.1399 0.2099 1.0293 0.053 Uiso 1 1 calc R U . . .
B1 B -0.2440(4) 0.1768(4) 0.7280(4) 0.0209(16) Uani 1 1 d . . . . .
C44 C -0.2609(3) 0.2317(3) 0.7888(3) 0.0230(15) Uani 1 1 d . . . . .
C45 C -0.2034(4) 0.2593(3) 0.8340(3) 0.0237(15) Uani 1 1 d . . . . .
H45 H -0.1541 0.2430 0.8316 0.028 Uiso 1 1 calc R U . . .
C46 C -0.2154(3) 0.3095(3) 0.8822(3) 0.0219(14) Uani 1 1 d . . . . .
C47 C -0.2844(4) 0.3373(3) 0.8858(3) 0.0263(15) Uani 1 1 d . . . . .
H47 H -0.2920 0.3728 0.9177 0.032 Uiso 1 1 calc R U . . .
C48 C -0.3431(3) 0.3120(3) 0.8413(3) 0.0244(15) Uani 1 1 d . . . . .
C49 C -0.3310(3) 0.2605(3) 0.7947(3) 0.0237(15) Uani 1 1 d . . . . .
H49 H -0.3722 0.2439 0.7654 0.028 Uiso 1 1 calc R U . . .
C50 C -0.1502(4) 0.3368(4) 0.9283(4) 0.0307(16) Uani 1 1 d . . . . .
F1 F -0.1007(2) 0.2893(2) 0.9470(2) 0.0543(13) Uani 1 1 d . . . . .
F2 F -0.1117(3) 0.3836(2) 0.8970(2) 0.0625(15) Uani 1 1 d . . . . .
F3 F -0.1692(2) 0.3645(3) 0.9863(2) 0.0676(17) Uani 1 1 d . . . . .
C51 C -0.4180(4) 0.3425(4) 0.8460(4) 0.0313(17) Uani 1 1 d . . . . .
F4 F -0.4166(2) 0.4112(2) 0.8442(2) 0.0422(11) Uani 1 1 d . . . . .
F5 F -0.4475(2) 0.3277(2) 0.9054(2) 0.0466(12) Uani 1 1 d . . . . .
F6 F -0.4686(2) 0.3241(3) 0.7943(2) 0.0594(15) Uani 1 1 d . . . . .
C52 C -0.3147(3) 0.1266(3) 0.7069(3) 0.0218(14) Uani 1 1 d . . . . .
C53 C -0.3622(3) 0.1014(3) 0.7550(3) 0.0241(15) Uani 1 1 d . . . . .
H53 H -0.3587 0.1200 0.8006 0.029 Uiso 1 1 calc R U . . .
C54 C -0.4140(3) 0.0504(3) 0.7385(3) 0.0226(14) Uani 1 1 d . . . . .
C55 C -0.4230(4) 0.0222(3) 0.6713(3) 0.0261(15) Uani 1 1 d . . . . .
H55 H -0.4591 -0.0120 0.6594 0.031 Uiso 1 1 calc R U . . .
C56 C -0.3768(3) 0.0464(3) 0.6231(3) 0.0232(15) Uani 1 1 d . . . . .
C57 C -0.3248(3) 0.0964(3) 0.6403(3) 0.0222(14) Uani 1 1 d . . . . .
H57 H -0.2944 0.1112 0.6056 0.027 Uiso 1 1 calc R U . . .
C58 C -0.4642(4) 0.0256(4) 0.7900(4) 0.0348(18) Uani 1 1 d . . . . .
F7 F -0.4449(2) 0.0475(2) 0.8549(2) 0.0464(12) Uani 1 1 d . . . . .
F8 F -0.5352(2) 0.0466(2) 0.7744(2) 0.0500(12) Uani 1 1 d . . . . .
F9 F -0.4674(3) -0.0415(2) 0.7928(2) 0.0520(13) Uani 1 1 d . . . . .
C59 C -0.3811(4) 0.0171(4) 0.5516(4) 0.0319(17) Uani 1 1 d . . . . .
F10 F -0.4324(2) -0.0315(2) 0.54073(19) 0.0376(10) Uani 1 1 d . . . . .
F11 F -0.3169(2) -0.0102(3) 0.5355(2) 0.0545(13) Uani 1 1 d . . . . .
F12 F -0.3990(3) 0.0647(2) 0.5026(2) 0.0554(13) Uani 1 1 d . . . . .
C60 C -0.1781(3) 0.1232(3) 0.7537(3) 0.0206(14) Uani 1 1 d . . . . .
C61 C -0.1608(3) 0.1023(3) 0.8224(3) 0.0203(14) Uani 1 1 d . . . . .
H61 H -0.1839 0.1250 0.8581 0.024 Uiso 1 1 calc R U . . .
C62 C -0.1117(3) 0.0501(3) 0.8413(3) 0.0220(14) Uani 1 1 d . . . . .
C63 C -0.0794(3) 0.0133(3) 0.7909(3) 0.0226(14) Uani 1 1 d . . . . .
H63 H -0.0466 -0.0233 0.8034 0.027 Uiso 1 1 calc R U . . .
C64 C -0.0961(3) 0.0312(3) 0.7218(3) 0.0228(15) Uani 1 1 d . . . . .
C65 C -0.1430(3) 0.0855(3) 0.7041(3) 0.0205(14) Uani 1 1 d . . . . .
H65 H -0.1517 0.0977 0.6564 0.025 Uiso 1 1 calc R U . . .
C66 C -0.0902(4) 0.0317(4) 0.9151(4) 0.0327(17) Uani 1 1 d . . . . .
F13 F -0.1383(3) 0.0551(2) 0.95885(19) 0.0447(12) Uani 1 1 d . . . . .
F14 F -0.0851(2) -0.0347(2) 0.92659(19) 0.0423(11) Uani 1 1 d . . . . .
F15 F -0.0234(3) 0.0580(3) 0.9387(2) 0.0609(15) Uani 1 1 d . . . . .
C67 C -0.0686(4) -0.0110(4) 0.6653(3) 0.0273(15) Uani 1 1 d . . . . .
F16 F -0.0150(2) -0.0549(2) 0.6880(2) 0.0438(11) Uani 1 1 d . . . . .
F17 F -0.0423(2) 0.0264(2) 0.6152(2) 0.0428(11) Uani 1 1 d . . . . .
F18 F -0.1229(2) -0.0490(2) 0.63288(18) 0.0346(10) Uani 1 1 d . . . . .
C68 C -0.2252(4) 0.2243(3) 0.6627(3) 0.0240(15) Uani 1 1 d . . . . .
C69 C -0.1531(4) 0.2487(3) 0.6570(3) 0.0230(14) Uani 1 1 d . . . . .
H69 H -0.1134 0.2321 0.6882 0.028 Uiso 1 1 calc R U . . .
C70 C -0.1378(4) 0.2973(3) 0.6064(3) 0.0251(15) Uani 1 1 d . . . . .
C71 C -0.1946(4) 0.3205(3) 0.5589(3) 0.0291(16) Uani 1 1 d . . . . .
H71 H -0.1846 0.3525 0.5241 0.035 Uiso 1 1 calc R U . . .
C72 C -0.2655(4) 0.2964(3) 0.5629(3) 0.0308(16) Uani 1 1 d . . . . .
C73 C -0.2808(4) 0.2491(3) 0.6136(3) 0.0232(15) Uani 1 1 d . . . . .
H73 H -0.3303 0.2333 0.6148 0.028 Uiso 1 1 calc R U . . .
C74 C -0.0612(4) 0.3263(4) 0.6040(4) 0.0346(18) Uani 1 1 d . . . . .
F19 F -0.0116(2) 0.3010(3) 0.6508(2) 0.0623(15) Uani 1 1 d . . . . .
F20 F -0.0350(2) 0.3151(2) 0.5410(2) 0.0540(13) Uani 1 1 d . . . . .
F21 F -0.0606(2) 0.3932(2) 0.6106(2) 0.0503(12) Uani 1 1 d . . . . .
C75 C -0.3272(4) 0.3232(4) 0.5150(4) 0.0400(19) Uani 1 1 d . . . . .
F22 F -0.3074(3) 0.3405(3) 0.4522(3) 0.089(2) Uani 1 1 d . . . . .
F23 F -0.3570(3) 0.3785(3) 0.5385(3) 0.098(2) Uani 1 1 d . . . . .
F24 F -0.3831(3) 0.2808(3) 0.5007(3) 0.086(2) Uani 1 1 d . . . . .
C76 C 0.2030(4) 0.0630(4) 0.9475(4) 0.0362(18) Uani 1 1 d . . . . .
H76 H 0.2180 0.0300 0.9135 0.054 Uiso 1 1 calc R U . . .
H76A H 0.1494 0.0714 0.9393 0.054 Uiso 1 1 calc R U . . .
H76B H 0.2145 0.0451 0.9947 0.054 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ru1 C2 2.150(6) . ?
Ru1 C3 2.169(6) . ?
Ru1 C1 2.225(6) . ?
Ru1 C35 2.228(6) . ?
Ru1 C38 2.231(6) . ?
Ru1 C4 2.236(6) . ?
Ru1 C33 2.255(6) . ?
Ru1 C37 2.258(6) . ?
Ru1 C36 2.262(7) . ?
Ru1 C34 2.300(7) . ?
Ru1 P1 2.8387(18) . ?
P1 C4 1.759(7) . ?
P1 C1 1.771(6) . ?
P1 C21 1.787(6) . ?
P1 C27 1.811(7) . ?
C1 C2 1.459(8) . ?
C1 C9 1.494(8) . ?
C2 C3 1.450(8) . ?
C2 C15 1.491(8) . ?
C3 C8 1.441(8) . ?
C3 C4 1.453(8) . ?
C4 C5 1.443(9) . ?
C5 C6 1.336(9) . ?
C6 C7 1.439(9) . ?
C7 C8 1.358(9) . ?
C9 C14 1.389(9) . ?
C9 C10 1.392(8) . ?
C10 C11 1.395(9) . ?
C11 C12 1.376(9) . ?
C12 C13 1.377(9) . ?
C13 C14 1.408(9) . ?
C15 C20 1.380(8) . ?
C15 C16 1.389(8) . ?
C16 C17 1.379(9) . ?
C17 C18 1.389(9) . ?
C18 C19 1.400(9) . ?
C19 C20 1.387(9) . ?
C21 C26 1.395(9) . ?
C21 C22 1.413(9) . ?
C22 C23 1.381(9) . ?
C23 C24 1.368(10) . ?
C24 C25 1.394(10) . ?
C25 C26 1.384(9) . ?
C27 C32 1.384(8) . ?
C27 C28 1.411(9) . ?
C28 C29 1.388(9) . ?
C29 C30 1.380(9) . ?
C30 C31 1.380(9) . ?
C31 C32 1.393(9) . ?
C33 C34 1.414(9) . ?
C33 C38 1.427(9) . ?
C33 C76 1.506(9) . ?
C34 C35 1.426(9) . ?
C34 C39 1.512(9) . ?
C35 C36 1.429(9) . ?
C35 C40 1.530(8) . ?
C36 C37 1.405(9) . ?
C36 C41 1.507(9) . ?
C37 C38 1.446(9) . ?
C37 C42 1.510(9) . ?
C38 C43 1.518(8) . ?
B1 C68 1.630(9) . ?
B1 C60 1.634(9) . ?
B1 C52 1.635(9) . ?
B1 C44 1.645(9) . ?
C44 C49 1.400(8) . ?
C44 C45 1.401(8) . ?
C45 C46 1.388(8) . ?
C46 C47 1.367(9) . ?
C46 C50 1.507(9) . ?
C47 C48 1.393(8) . ?
C48 C49 1.387(8) . ?
C48 C51 1.489(9) . ?
C50 F3 1.318(7) . ?
C50 F1 1.322(8) . ?
C50 F2 1.332(8) . ?
C51 F6 1.338(7) . ?
C51 F5 1.340(8) . ?
C51 F4 1.356(8) . ?
C52 C53 1.411(8) . ?
C52 C57 1.412(8) . ?
C53 C54 1.387(8) . ?
C54 C55 1.405(9) . ?
C54 C58 1.488(9) . ?
C55 C56 1.389(8) . ?
C56 C57 1.379(8) . ?
C56 C59 1.491(9) . ?
C58 F9 1.326(8) . ?
C58 F7 1.337(8) . ?
C58 F8 1.352(8) . ?
C59 F10 1.335(7) . ?
C59 F11 1.339(8) . ?
C59 F12 1.349(8) . ?
C60 C61 1.395(8) . ?
C60 C65 1.406(8) . ?
C61 C62 1.384(8) . ?
C62 C63 1.384(8) . ?
C62 C66 1.484(9) . ?
C63 C64 1.383(8) . ?
C64 C65 1.388(8) . ?
C64 C67 1.491(8) . ?
C66 F14 1.330(7) . ?
C66 F13 1.346(7) . ?
C66 F15 1.352(8) . ?
C67 F17 1.337(7) . ?
C67 F18 1.341(7) . ?
C67 F16 1.341(7) . ?
C68 C69 1.399(8) . ?
C68 C73 1.401(8) . ?
C69 C70 1.414(8) . ?
C70 C71 1.387(9) . ?
C70 C74 1.499(9) . ?
C71 C72 1.375(9) . ?
C72 C73 1.395(9) . ?
C72 C75 1.476(10) . ?
C74 F19 1.310(8) . ?
C74 F21 1.326(8) . ?
C74 F20 1.360(8) . ?
C75 F23 1.314(9) . ?
C75 F24 1.319(8) . ?
C75 F22 1.337(8) . ?

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
C2 Ru1 C3 39.2(2) . . ?
C2 Ru1 C1 38.9(2) . . ?
C3 Ru1 C1 66.0(2) . . ?
C2 Ru1 C35 123.0(2) . . ?
C3 Ru1 C35 157.4(2) . . ?
C1 Ru1 C35 109.0(2) . . ?
C2 Ru1 C38 143.0(2) . . ?
C3 Ru1 C38 110.0(2) . . ?
C1 Ru1 C38 169.4(2) . . ?
C35 Ru1 C38 78.4(2) . . ?
C2 Ru1 C4 66.5(2) . . ?
C3 Ru1 C4 38.5(2) . . ?
C1 Ru1 C4 68.5(2) . . ?
C35 Ru1 C4 162.9(2) . . ?
C38 Ru1 C4 102.1(2) . . ?
C2 Ru1 C33 170.0(2) . . ?
C3 Ru1 C33 132.8(2) . . ?
C1 Ru1 C33 138.2(2) . . ?
C35 Ru1 C33 66.4(2) . . ?
C38 Ru1 C33 37.1(2) . . ?
C4 Ru1 C33 103.6(2) . . ?
C2 Ru1 C37 118.7(2) . . ?
C3 Ru1 C37 107.4(2) . . ?
C1 Ru1 C37 152.1(2) . . ?
C35 Ru1 C37 65.9(2) . . ?
C38 Ru1 C37 37.6(2) . . ?
C4 Ru1 C37 124.5(2) . . ?
C33 Ru1 C37 67.1(2) . . ?
C2 Ru1 C36 110.6(2) . . ?
C3 Ru1 C36 125.6(2) . . ?
C1 Ru1 C36 123.8(2) . . ?
C35 Ru1 C36 37.1(2) . . ?
C38 Ru1 C36 66.7(2) . . ?
C4 Ru1 C36 158.3(2) . . ?
C33 Ru1 C36 79.0(2) . . ?
C37 Ru1 C36 36.2(2) . . ?
C2 Ru1 C34 149.8(2) . . ?
C3 Ru1 C34 165.9(2) . . ?
C1 Ru1 C34 115.8(2) . . ?
C35 Ru1 C34 36.7(2) . . ?
C38 Ru1 C34 65.5(2) . . ?
C4 Ru1 C34 127.9(2) . . ?
C33 Ru1 C34 36.2(2) . . ?
C37 Ru1 C34 77.5(2) . . ?
C36 Ru1 C34 66.1(2) . . ?
C2 Ru1 P1 61.50(17) . . ?
C3 Ru1 P1 60.77(16) . . ?
C1 Ru1 P1 38.60(15) . . ?
C35 Ru1 P1 130.00(17) . . ?
C38 Ru1 P1 130.84(18) . . ?
C4 Ru1 P1 38.28(17) . . ?
C33 Ru1 P1 110.37(18) . . ?
C37 Ru1 P1 162.65(17) . . ?
C36 Ru1 P1 160.83(16) . . ?
C34 Ru1 P1 111.09(17) . . ?
C4 P1 C1 90.7(3) . . ?
C4 P1 C21 114.8(3) . . ?
C1 P1 C21 116.7(3) . . ?
C4 P1 C27 111.6(3) . . ?
C1 P1 C27 119.4(3) . . ?
C21 P1 C27 103.7(3) . . ?
C4 P1 Ru1 52.0(2) . . ?
C1 P1 Ru1 51.61(19) . . ?
C21 P1 Ru1 99.9(2) . . ?
C27 P1 Ru1 155.8(2) . . ?
C2 C1 C9 122.9(5) . . ?
C2 C1 P1 107.9(4) . . ?
C9 C1 P1 123.4(5) . . ?
C2 C1 Ru1 67.8(3) . . ?
C9 C1 Ru1 129.7(4) . . ?
P1 C1 Ru1 89.8(2) . . ?
C3 C2 C1 110.8(5) . . ?
C3 C2 C15 121.3(6) . . ?
C1 C2 C15 126.2(5) . . ?
C3 C2 Ru1 71.1(3) . . ?
C1 C2 Ru1 73.3(3) . . ?
C15 C2 Ru1 134.2(4) . . ?
C8 C3 C2 128.9(6) . . ?
C8 C3 C4 119.2(5) . . ?
C2 C3 C4 111.9(5) . . ?
C8 C3 Ru1 125.7(4) . . ?
C2 C3 Ru1 69.7(3) . . ?
C4 C3 Ru1 73.3(4) . . ?
C5 C4 C3 118.8(6) . . ?
C5 C4 P1 128.8(5) . . ?
C3 C4 P1 107.6(4) . . ?
C5 C4 Ru1 125.7(5) . . ?
C3 C4 Ru1 68.3(3) . . ?
P1 C4 Ru1 89.7(3) . . ?
C6 C5 C4 120.4(7) . . ?
C5 C6 C7 120.4(6) . . ?
C8 C7 C6 122.8(7) . . ?
C7 C8 C3 118.3(6) . . ?
C14 C9 C10 118.2(6) . . ?
C14 C9 C1 121.0(6) . . ?
C10 C9 C1 120.7(6) . . ?
C9 C10 C11 120.8(6) . . ?
C12 C11 C10 120.5(6) . . ?
C11 C12 C13 119.7(7) . . ?
C12 C13 C14 120.0(7) . . ?
C9 C14 C13 120.8(6) . . ?
C20 C15 C16 118.8(6) . . ?
C20 C15 C2 122.5(5) . . ?
C16 C15 C2 118.5(6) . . ?
C17 C16 C15 120.1(6) . . ?
C16 C17 C18 121.4(7) . . ?
C17 C18 C19 118.6(6) . . ?
C20 C19 C18 119.4(6) . . ?
C15 C20 C19 121.7(6) . . ?
C26 C21 C22 119.8(6) . . ?
C26 C21 P1 122.9(5) . . ?
C22 C21 P1 117.0(5) . . ?
C23 C22 C21 119.4(6) . . ?
C24 C23 C22 120.6(7) . . ?
C23 C24 C25 120.5(7) . . ?
C26 C25 C24 120.2(7) . . ?
C25 C26 C21 119.5(6) . . ?
C32 C27 C28 119.1(6) . . ?
C32 C27 P1 123.4(5) . . ?
C28 C27 P1 117.5(5) . . ?
C29 C28 C27 119.9(6) . . ?
C30 C29 C28 120.1(6) . . ?
C29 C30 C31 120.5(6) . . ?
C30 C31 C32 119.9(6) . . ?
C27 C32 C31 120.5(6) . . ?
C34 C33 C38 119.3(6) . . ?
C34 C33 C76 120.2(6) . . ?
C38 C33 C76 120.5(6) . . ?
C34 C33 Ru1 73.6(4) . . ?
C38 C33 Ru1 70.5(4) . . ?
C76 C33 Ru1 127.6(5) . . ?
C33 C34 C35 119.6(6) . . ?
C33 C34 C39 120.6(6) . . ?
C35 C34 C39 119.4(6) . . ?
C33 C34 Ru1 70.2(4) . . ?
C35 C34 Ru1 68.9(4) . . ?
C39 C34 Ru1 139.8(5) . . ?
C34 C35 C36 121.4(6) . . ?
C34 C35 C40 117.7(6) . . ?
C36 C35 C40 120.3(6) . . ?
C34 C35 Ru1 74.4(4) . . ?
C36 C35 Ru1 72.7(4) . . ?
C40 C35 Ru1 133.1(4) . . ?
C37 C36 C35 118.9(6) . . ?
C37 C36 C41 121.7(6) . . ?
C35 C36 C41 119.3(6) . . ?
C37 C36 Ru1 71.7(4) . . ?
C35 C36 Ru1 70.2(4) . . ?
C41 C36 Ru1 131.5(4) . . ?
C36 C37 C38 120.0(6) . . ?
C36 C37 C42 122.1(6) . . ?
C38 C37 C42 117.9(6) . . ?
C36 C37 Ru1 72.1(4) . . ?
C38 C37 Ru1 70.2(3) . . ?
C42 C37 Ru1 131.4(5) . . ?
C33 C38 C37 120.5(6) . . ?
C33 C38 C43 121.2(6) . . ?
C37 C38 C43 118.3(6) . . ?
C33 C38 Ru1 72.4(3) . . ?
C37 C38 Ru1 72.2(3) . . ?
C43 C38 Ru1 130.9(5) . . ?
C68 B1 C60 114.0(5) . . ?
C68 B1 C52 111.7(5) . . ?
C60 B1 C52 102.2(5) . . ?
C68 B1 C44 103.8(5) . . ?
C60 B1 C44 112.9(5) . . ?
C52 B1 C44 112.6(5) . . ?
C49 C44 C45 114.5(6) . . ?
C49 C44 B1 123.6(6) . . ?
C45 C44 B1 121.5(6) . . ?
C46 C45 C44 122.7(6) . . ?
C47 C46 C45 121.4(6) . . ?
C47 C46 C50 119.3(6) . . ?
C45 C46 C50 119.2(6) . . ?
C46 C47 C48 117.9(6) . . ?
C49 C48 C47 120.3(6) . . ?
C49 C48 C51 122.3(6) . . ?
C47 C48 C51 117.4(6) . . ?
C48 C49 C44 123.2(6) . . ?
F3 C50 F1 106.5(6) . . ?
F3 C50 F2 106.5(6) . . ?
F1 C50 F2 104.3(6) . . ?
F3 C50 C46 113.5(6) . . ?
F1 C50 C46 112.2(6) . . ?
F2 C50 C46 113.1(6) . . ?
F6 C51 F5 106.2(6) . . ?
F6 C51 F4 105.5(6) . . ?
F5 C51 F4 104.4(5) . . ?
F6 C51 C48 113.9(6) . . ?
F5 C51 C48 113.5(6) . . ?
F4 C51 C48 112.6(6) . . ?
C53 C52 C57 114.3(6) . . ?
C53 C52 B1 123.9(5) . . ?
C57 C52 B1 121.0(5) . . ?
C54 C53 C52 122.9(6) . . ?
C53 C54 C55 121.1(6) . . ?
C53 C54 C58 121.6(6) . . ?
C55 C54 C58 117.2(6) . . ?
C56 C55 C54 117.0(6) . . ?
C57 C56 C55 121.5(6) . . ?
C57 C56 C59 118.4(6) . . ?
C55 C56 C59 120.1(6) . . ?
C56 C57 C52 123.2(6) . . ?
F9 C58 F7 107.0(6) . . ?
F9 C58 F8 105.8(6) . . ?
F7 C58 F8 105.6(6) . . ?
F9 C58 C54 112.7(6) . . ?
F7 C58 C54 113.2(6) . . ?
F8 C58 C54 111.9(6) . . ?
F10 C59 F11 106.1(6) . . ?
F10 C59 F12 105.9(6) . . ?
F11 C59 F12 105.8(6) . . ?
F10 C59 C56 113.6(6) . . ?
F11 C59 C56 113.4(6) . . ?
F12 C59 C56 111.5(6) . . ?
C61 C60 C65 114.3(6) . . ?
C61 C60 B1 124.9(5) . . ?
C65 C60 B1 119.9(5) . . ?
C62 C61 C60 123.5(6) . . ?
C63 C62 C61 120.4(6) . . ?
C63 C62 C66 117.1(6) . . ?
C61 C62 C66 122.5(6) . . ?
C64 C63 C62 118.3(6) . . ?
C63 C64 C65 120.4(6) . . ?
C63 C64 C67 120.2(6) . . ?
C65 C64 C67 119.2(6) . . ?
C64 C65 C60 123.0(6) . . ?
F14 C66 F13 105.8(5) . . ?
F14 C66 F15 106.0(6) . . ?
F13 C66 F15 105.4(6) . . ?
F14 C66 C62 114.1(6) . . ?
F13 C66 C62 113.0(6) . . ?
F15 C66 C62 111.9(6) . . ?
F17 C67 F18 105.4(5) . . ?
F17 C67 F16 107.3(5) . . ?
F18 C67 F16 105.3(6) . . ?
F17 C67 C64 112.6(6) . . ?
F18 C67 C64 112.0(5) . . ?
F16 C67 C64 113.6(5) . . ?
C69 C68 C73 116.0(6) . . ?
C69 C68 B1 121.3(6) . . ?
C73 C68 B1 122.3(6) . . ?
C68 C69 C70 122.0(6) . . ?
C71 C70 C69 119.9(6) . . ?
C71 C70 C74 118.7(6) . . ?
C69 C70 C74 121.4(6) . . ?
C72 C71 C70 118.9(6) . . ?
C71 C72 C73 121.0(7) . . ?
C71 C72 C75 119.5(6) . . ?
C73 C72 C75 119.4(6) . . ?
C72 C73 C68 122.1(6) . . ?
F19 C74 F21 108.3(6) . . ?
F19 C74 F20 106.3(6) . . ?
F21 C74 F20 104.3(5) . . ?
F19 C74 C70 113.9(6) . . ?
F21 C74 C70 112.1(6) . . ?
F20 C74 C70 111.3(6) . . ?
F23 C75 F24 105.7(7) . . ?
F23 C75 F22 104.6(7) . . ?
F24 C75 F22 103.6(7) . . ?
F23 C75 C72 113.0(7) . . ?
F24 C75 C72 114.8(7) . . ?
F22 C75 C72 114.1(7) . . ?

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
C4 P1 C1 C2 -29.2(4) . . . . ?
C21 P1 C1 C2 -147.7(4) . . . . ?
C27 P1 C1 C2 86.3(5) . . . . ?
Ru1 P1 C1 C2 -66.5(4) . . . . ?
C4 P1 C1 C9 177.0(5) . . . . ?
C21 P1 C1 C9 58.6(6) . . . . ?
C27 P1 C1 C9 -67.5(6) . . . . ?
Ru1 P1 C1 C9 139.8(6) . . . . ?
C4 P1 C1 Ru1 37.3(3) . . . . ?
C21 P1 C1 Ru1 -81.2(3) . . . . ?
C27 P1 C1 Ru1 152.8(3) . . . . ?
C9 C1 C2 C3 174.5(5) . . . . ?
P1 C1 C2 C3 20.6(6) . . . . ?
Ru1 C1 C2 C3 -61.6(4) . . . . ?
C9 C1 C2 C15 9.1(10) . . . . ?
P1 C1 C2 C15 -144.8(5) . . . . ?
Ru1 C1 C2 C15 133.0(6) . . . . ?
C9 C1 C2 Ru1 -123.9(6) . . . . ?
P1 C1 C2 Ru1 82.2(3) . . . . ?
C1 C2 C3 C8 -176.9(6) . . . . ?
C15 C2 C3 C8 -10.7(10) . . . . ?
Ru1 C2 C3 C8 120.1(6) . . . . ?
C1 C2 C3 C4 1.6(7) . . . . ?
C15 C2 C3 C4 167.8(5) . . . . ?
Ru1 C2 C3 C4 -61.3(4) . . . . ?
C1 C2 C3 Ru1 62.9(4) . . . . ?
C15 C2 C3 Ru1 -130.9(6) . . . . ?
C8 C3 C4 C5 -2.2(9) . . . . ?
C2 C3 C4 C5 179.1(6) . . . . ?
Ru1 C3 C4 C5 119.9(6) . . . . ?
C8 C3 C4 P1 155.5(5) . . . . ?
C2 C3 C4 P1 -23.2(6) . . . . ?
Ru1 C3 C4 P1 -82.4(3) . . . . ?
C8 C3 C4 Ru1 -122.1(5) . . . . ?
C2 C3 C4 Ru1 59.2(4) . . . . ?
C1 P1 C4 C5 -175.3(6) . . . . ?
C21 P1 C4 C5 -55.2(7) . . . . ?
C27 P1 C4 C5 62.5(7) . . . . ?
Ru1 P1 C4 C5 -138.2(7) . . . . ?
C1 P1 C4 C3 30.0(5) . . . . ?
C21 P1 C4 C3 150.1(4) . . . . ?
C27 P1 C4 C3 -92.2(5) . . . . ?
Ru1 P1 C4 C3 67.0(4) . . . . ?
C1 P1 C4 Ru1 -37.1(3) . . . . ?
C21 P1 C4 Ru1 83.0(3) . . . . ?
C27 P1 C4 Ru1 -159.3(2) . . . . ?
C3 C4 C5 C6 -0.1(10) . . . . ?
P1 C4 C5 C6 -152.4(6) . . . . ?
Ru1 C4 C5 C6 82.8(8) . . . . ?
C4 C5 C6 C7 2.1(10) . . . . ?
C5 C6 C7 C8 -2.0(11) . . . . ?
C6 C7 C8 C3 -0.3(10) . . . . ?
C2 C3 C8 C7 -179.2(6) . . . . ?
C4 C3 C8 C7 2.3(9) . . . . ?
Ru1 C3 C8 C7 -87.4(7) . . . . ?
C2 C1 C9 C14 41.0(9) . . . . ?
P1 C1 C9 C14 -169.1(5) . . . . ?
Ru1 C1 C9 C14 -46.2(9) . . . . ?
C2 C1 C9 C10 -137.5(6) . . . . ?
P1 C1 C9 C10 12.4(9) . . . . ?
Ru1 C1 C9 C10 135.3(6) . . . . ?
C14 C9 C10 C11 -0.4(10) . . . . ?
C1 C9 C10 C11 178.2(6) . . . . ?
C9 C10 C11 C12 -1.4(11) . . . . ?
C10 C11 C12 C13 2.6(11) . . . . ?
C11 C12 C13 C14 -1.9(11) . . . . ?
C10 C9 C14 C13 1.0(10) . . . . ?
C1 C9 C14 C13 -177.5(6) . . . . ?
C12 C13 C14 C9 0.1(10) . . . . ?
C3 C2 C15 C20 54.7(9) . . . . ?
C1 C2 C15 C20 -141.4(6) . . . . ?
Ru1 C2 C15 C20 -38.9(10) . . . . ?
C3 C2 C15 C16 -120.9(7) . . . . ?
C1 C2 C15 C16 43.1(9) . . . . ?
Ru1 C2 C15 C16 145.5(5) . . . . ?
C20 C15 C16 C17 -0.3(10) . . . . ?
C2 C15 C16 C17 175.5(6) . . . . ?
C15 C16 C17 C18 -0.7(11) . . . . ?
C16 C17 C18 C19 1.6(11) . . . . ?
C17 C18 C19 C20 -1.5(10) . . . . ?
C16 C15 C20 C19 0.3(10) . . . . ?
C2 C15 C20 C19 -175.2(6) . . . . ?
C18 C19 C20 C15 0.6(10) . . . . ?
C4 P1 C21 C26 -116.1(5) . . . . ?
C1 P1 C21 C26 -11.7(6) . . . . ?
C27 P1 C21 C26 121.8(5) . . . . ?
Ru1 P1 C21 C26 -63.6(5) . . . . ?
C4 P1 C21 C22 68.8(6) . . . . ?
C1 P1 C21 C22 173.2(5) . . . . ?
C27 P1 C21 C22 -53.3(5) . . . . ?
Ru1 P1 C21 C22 121.4(5) . . . . ?
C26 C21 C22 C23 1.4(9) . . . . ?
P1 C21 C22 C23 176.6(5) . . . . ?
C21 C22 C23 C24 -1.0(10) . . . . ?
C22 C23 C24 C25 0.4(10) . . . . ?
C23 C24 C25 C26 -0.3(10) . . . . ?
C24 C25 C26 C21 0.8(9) . . . . ?
C22 C21 C26 C25 -1.3(9) . . . . ?
P1 C21 C26 C25 -176.2(5) . . . . ?
C4 P1 C27 C32 -152.2(5) . . . . ?
C1 P1 C27 C32 104.0(6) . . . . ?
C21 P1 C27 C32 -28.0(6) . . . . ?
Ru1 P1 C27 C32 165.0(4) . . . . ?
C4 P1 C27 C28 29.9(6) . . . . ?
C1 P1 C27 C28 -73.9(6) . . . . ?
C21 P1 C27 C28 154.1(5) . . . . ?
Ru1 P1 C27 C28 -13.0(9) . . . . ?
C32 C27 C28 C29 2.1(9) . . . . ?
P1 C27 C28 C29 -179.9(5) . . . . ?
C27 C28 C29 C30 -1.6(10) . . . . ?
C28 C29 C30 C31 0.3(10) . . . . ?
C29 C30 C31 C32 0.4(10) . . . . ?
C28 C27 C32 C31 -1.4(9) . . . . ?
P1 C27 C32 C31 -179.3(5) . . . . ?
C30 C31 C32 C27 0.2(10) . . . . ?
C38 C33 C34 C35 -5.8(9) . . . . ?
C76 C33 C34 C35 174.3(6) . . . . ?
Ru1 C33 C34 C35 49.9(5) . . . . ?
C38 C33 C34 C39 167.3(6) . . . . ?
C76 C33 C34 C39 -12.6(10) . . . . ?
Ru1 C33 C34 C39 -137.0(6) . . . . ?
C38 C33 C34 Ru1 -55.8(5) . . . . ?
C76 C33 C34 Ru1 124.4(6) . . . . ?
C33 C34 C35 C36 7.4(9) . . . . ?
C39 C34 C35 C36 -165.8(6) . . . . ?
Ru1 C34 C35 C36 57.9(5) . . . . ?
C33 C34 C35 C40 178.6(6) . . . . ?
C39 C34 C35 C40 5.4(9) . . . . ?
Ru1 C34 C35 C40 -130.9(5) . . . . ?
C33 C34 C35 Ru1 -50.5(6) . . . . ?
C39 C34 C35 Ru1 136.3(6) . . . . ?
C34 C35 C36 C37 -4.2(9) . . . . ?
C40 C35 C36 C37 -175.1(6) . . . . ?
Ru1 C35 C36 C37 54.5(5) . . . . ?
C34 C35 C36 C41 174.1(6) . . . . ?
C40 C35 C36 C41 3.1(9) . . . . ?
Ru1 C35 C36 C41 -127.2(6) . . . . ?
C34 C35 C36 Ru1 -58.7(5) . . . . ?
C40 C35 C36 Ru1 130.3(6) . . . . ?
C35 C36 C37 C38 -0.5(9) . . . . ?
C41 C36 C37 C38 -178.7(6) . . . . ?
Ru1 C36 C37 C38 53.3(5) . . . . ?
C35 C36 C37 C42 178.0(6) . . . . ?
C41 C36 C37 C42 -0.2(10) . . . . ?
Ru1 C36 C37 C42 -128.2(6) . . . . ?
C35 C36 C37 Ru1 -53.8(5) . . . . ?
C41 C36 C37 Ru1 128.0(6) . . . . ?
C34 C33 C38 C37 1.2(9) . . . . ?
C76 C33 C38 C37 -178.9(6) . . . . ?
Ru1 C33 C38 C37 -56.0(5) . . . . ?
C34 C33 C38 C43 -175.1(6) . . . . ?
C76 C33 C38 C43 4.8(9) . . . . ?
Ru1 C33 C38 C43 127.6(6) . . . . ?
C34 C33 C38 Ru1 57.3(5) . . . . ?
C76 C33 C38 Ru1 -122.8(6) . . . . ?
C36 C37 C38 C33 2.0(9) . . . . ?
C42 C37 C38 C33 -176.6(6) . . . . ?
Ru1 C37 C38 C33 56.1(5) . . . . ?
C36 C37 C38 C43 178.4(6) . . . . ?
C42 C37 C38 C43 -0.2(9) . . . . ?
Ru1 C37 C38 C43 -127.4(6) . . . . ?
C36 C37 C38 Ru1 -54.1(5) . . . . ?
C42 C37 C38 Ru1 127.2(6) . . . . ?
C68 B1 C44 C49 86.7(7) . . . . ?
C60 B1 C44 C49 -149.4(6) . . . . ?
C52 B1 C44 C49 -34.2(8) . . . . ?
C68 B1 C44 C45 -85.6(7) . . . . ?
C60 B1 C44 C45 38.3(8) . . . . ?
C52 B1 C44 C45 153.4(6) . . . . ?
C49 C44 C45 C46 2.0(9) . . . . ?
B1 C44 C45 C46 174.9(6) . . . . ?
C44 C45 C46 C47 -3.2(10) . . . . ?
C44 C45 C46 C50 -179.4(6) . . . . ?
C45 C46 C47 C48 2.3(10) . . . . ?
C50 C46 C47 C48 178.5(6) . . . . ?
C46 C47 C48 C49 -0.4(10) . . . . ?
C46 C47 C48 C51 179.8(6) . . . . ?
C47 C48 C49 C44 -0.7(10) . . . . ?
C51 C48 C49 C44 179.1(6) . . . . ?
C45 C44 C49 C48 0.0(9) . . . . ?
B1 C44 C49 C48 -172.8(6) . . . . ?
C47 C46 C50 F3 26.7(9) . . . . ?
C45 C46 C50 F3 -157.1(6) . . . . ?
C47 C46 C50 F1 147.5(6) . . . . ?
C45 C46 C50 F1 -36.3(9) . . . . ?
C47 C46 C50 F2 -94.8(7) . . . . ?
C45 C46 C50 F2 81.4(8) . . . . ?
C49 C48 C51 F6 -10.5(10) . . . . ?
C47 C48 C51 F6 169.3(6) . . . . ?
C49 C48 C51 F5 111.1(7) . . . . ?
C47 C48 C51 F5 -69.1(8) . . . . ?
C49 C48 C51 F4 -130.6(7) . . . . ?
C47 C48 C51 F4 49.3(8) . . . . ?
C68 B1 C52 C53 -153.0(6) . . . . ?
C60 B1 C52 C53 84.7(7) . . . . ?
C44 B1 C52 C53 -36.7(8) . . . . ?
C68 B1 C52 C57 37.7(8) . . . . ?
C60 B1 C52 C57 -84.6(7) . . . . ?
C44 B1 C52 C57 154.0(6) . . . . ?
C57 C52 C53 C54 0.9(9) . . . . ?
B1 C52 C53 C54 -169.1(6) . . . . ?
C52 C53 C54 C55 -1.7(10) . . . . ?
C52 C53 C54 C58 -179.0(6) . . . . ?
C53 C54 C55 C56 1.5(9) . . . . ?
C58 C54 C55 C56 178.9(6) . . . . ?
C54 C55 C56 C57 -0.5(9) . . . . ?
C54 C55 C56 C59 177.7(6) . . . . ?
C55 C56 C57 C52 -0.2(10) . . . . ?
C59 C56 C57 C52 -178.5(6) . . . . ?
C53 C52 C57 C56 0.1(9) . . . . ?
B1 C52 C57 C56 170.4(6) . . . . ?
C53 C54 C58 F9 -133.6(7) . . . . ?
C55 C54 C58 F9 49.0(8) . . . . ?
C53 C54 C58 F7 -11.9(9) . . . . ?
C55 C54 C58 F7 170.7(6) . . . . ?
C53 C54 C58 F8 107.3(7) . . . . ?
C55 C54 C58 F8 -70.1(8) . . . . ?
C57 C56 C59 F10 179.0(6) . . . . ?
C55 C56 C59 F10 0.7(9) . . . . ?
C57 C56 C59 F11 57.8(8) . . . . ?
C55 C56 C59 F11 -120.5(7) . . . . ?
C57 C56 C59 F12 -61.5(8) . . . . ?
C55 C56 C59 F12 120.2(7) . . . . ?
C68 B1 C60 C61 146.7(6) . . . . ?
C52 B1 C60 C61 -92.6(7) . . . . ?
C44 B1 C60 C61 28.7(8) . . . . ?
C68 B1 C60 C65 -44.7(8) . . . . ?
C52 B1 C60 C65 75.9(7) . . . . ?
C44 B1 C60 C65 -162.8(5) . . . . ?
C65 C60 C61 C62 1.8(9) . . . . ?
B1 C60 C61 C62 170.9(6) . . . . ?
C60 C61 C62 C63 -3.2(10) . . . . ?
C60 C61 C62 C66 175.8(6) . . . . ?
C61 C62 C63 C64 1.5(9) . . . . ?
C66 C62 C63 C64 -177.4(6) . . . . ?
C62 C63 C64 C65 1.2(9) . . . . ?
C62 C63 C64 C67 -174.1(6) . . . . ?
C63 C64 C65 C60 -2.6(9) . . . . ?
C67 C64 C65 C60 172.7(6) . . . . ?
C61 C60 C65 C64 1.1(9) . . . . ?
B1 C60 C65 C64 -168.6(6) . . . . ?
C63 C62 C66 F14 -41.1(9) . . . . ?
C61 C62 C66 F14 140.0(6) . . . . ?
C63 C62 C66 F13 -162.0(6) . . . . ?
C61 C62 C66 F13 19.0(9) . . . . ?
C63 C62 C66 F15 79.2(8) . . . . ?
C61 C62 C66 F15 -99.7(8) . . . . ?
C63 C64 C67 F17 -136.8(6) . . . . ?
C65 C64 C67 F17 47.8(8) . . . . ?
C63 C64 C67 F18 104.6(7) . . . . ?
C65 C64 C67 F18 -70.8(8) . . . . ?
C63 C64 C67 F16 -14.6(9) . . . . ?
C65 C64 C67 F16 170.1(6) . . . . ?
C60 B1 C68 C69 -37.3(8) . . . . ?
C52 B1 C68 C69 -152.6(6) . . . . ?
C44 B1 C68 C69 85.8(7) . . . . ?
C60 B1 C68 C73 149.9(6) . . . . ?
C52 B1 C68 C73 34.7(8) . . . . ?
C44 B1 C68 C73 -86.9(7) . . . . ?
C73 C68 C69 C70 2.2(9) . . . . ?
B1 C68 C69 C70 -171.0(6) . . . . ?
C68 C69 C70 C71 -2.3(9) . . . . ?
C68 C69 C70 C74 176.0(6) . . . . ?
C69 C70 C71 C72 1.2(10) . . . . ?
C74 C70 C71 C72 -177.1(6) . . . . ?
C70 C71 C72 C73 -0.3(10) . . . . ?
C70 C71 C72 C75 176.9(6) . . . . ?
C71 C72 C73 C68 0.3(10) . . . . ?
C75 C72 C73 C68 -176.9(6) . . . . ?
C69 C68 C73 C72 -1.2(9) . . . . ?
B1 C68 C73 C72 171.9(6) . . . . ?
C71 C70 C74 F19 -179.9(6) . . . . ?
C69 C70 C74 F19 1.8(10) . . . . ?
C71 C70 C74 F21 56.8(8) . . . . ?
C69 C70 C74 F21 -121.5(7) . . . . ?
C71 C70 C74 F20 -59.7(8) . . . . ?
C69 C70 C74 F20 122.0(7) . . . . ?
C71 C72 C75 F23 -86.6(9) . . . . ?
C73 C72 C75 F23 90.6(9) . . . . ?
C71 C72 C75 F24 152.1(7) . . . . ?
C73 C72 C75 F24 -30.7(10) . . . . ?
C71 C72 C75 F22 32.7(10) . . . . ?
C73 C72 C75 F22 -150.1(7) . . . . ?

_refine_diff_density_max         0.735
_refine_diff_density_min         -0.578
_refine_diff_density_rms         0.108

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_aa
_database_code_depnum_ccdc_archive 'CCDC 1826401'
_audit_update_record             
;
2018-02-28 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H52 B F24 P Ru'
_chemical_formula_weight         1491.96

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'
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.512(2)
_cell_length_b                   19.924(3)
_cell_length_c                   21.061(3)
_cell_angle_alpha                109.8153(14)
_cell_angle_beta                 93.4840(15)
_cell_angle_gamma                110.4807(13)
_cell_volume                     6340.9(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    14019
_cell_measurement_theta_min      2.87
_cell_measurement_theta_max      31.29

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_F_000             3008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    0.387
_shelx_estimated_absorpt_T_min   0.913
_shelx_estimated_absorpt_T_max   0.930
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min  0.919
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_special_details   'Jacobson, R. (1998) Private communication'
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            52661
_diffrn_reflns_av_unetI/netI     0.1031
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.012
_diffrn_reflns_theta_max         27.466
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             27980
_reflns_number_gt                18005
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RIGAKU CrystalClear'
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_structure_solution    SIR-2014
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'Yadokari-XG 2009(Wakita Nemoto et al.)'
_computing_publication_material  'Yadokari-XG 2009(Wakita,Nemoto et al.)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0760P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_extinction_coef       0.00128(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         27980
_refine_ls_number_parameters     1803
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1080
_refine_ls_R_factor_gt           0.0687
_refine_ls_wR_factor_ref         0.1771
_refine_ls_wR_factor_gt          0.1515
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.81776(2) 1.09624(2) -0.32084(2) 0.02412(10) Uani 1 1 d . . . . .
P1 P 0.91908(7) 1.24490(6) -0.18730(5) 0.0242(2) Uani 1 1 d . . . . .
C1 C 0.8187(2) 1.1990(2) -0.2408(2) 0.0267(9) Uani 1 1 d . . . . .
C2 C 0.8124(3) 1.2041(2) -0.3083(2) 0.0298(10) Uani 1 1 d . . . . .
C3 C 0.8786(3) 1.2017(2) -0.3441(2) 0.0268(9) Uani 1 1 d . . . . .
C4 C 0.9493(2) 1.1890(2) -0.3167(2) 0.0242(9) Uani 1 1 d . . . . .
C5 C 0.9798(2) 1.2116(2) -0.24397(19) 0.0225(8) Uani 1 1 d . . . . .
C6 C 1.0528(3) 1.2084(3) -0.2204(2) 0.0299(10) Uani 1 1 d . . . . .
H6 H 1.072053 1.225218 -0.172322 0.036 Uiso 1 1 calc R U . . .
C7 C 1.0996(3) 1.1801(3) -0.2673(2) 0.0347(11) Uani 1 1 d . . . . .
H7 H 1.147971 1.174713 -0.250932 0.042 Uiso 1 1 calc R U . . .
C8 C 1.0752(3) 1.1610(3) -0.3353(2) 0.0361(11) Uani 1 1 d . . . . .
H8 H 1.106416 1.141090 -0.366304 0.043 Uiso 1 1 calc R U . . .
C9 C 1.0042(3) 1.1696(3) -0.3624(2) 0.0318(10) Uani 1 1 d . . . . .
C10 C 0.9906(3) 1.1663(3) -0.4291(2) 0.0428(12) Uani 1 1 d . . . . .
H10 H 1.023962 1.149758 -0.459738 0.051 Uiso 1 1 calc R U . . .
C11 C 0.9292(3) 1.1866(3) -0.4521(2) 0.0453(13) Uani 1 1 d . . . . .
H11 H 0.924785 1.188558 -0.496606 0.054 Uiso 1 1 calc R U . . .
C12 C 0.8753(3) 1.2037(3) -0.4119(2) 0.0399(12) Uani 1 1 d . . . . .
H12 H 0.834024 1.217485 -0.429119 0.048 Uiso 1 1 calc R U . . .
C13 C 0.9190(3) 1.2149(3) -0.1156(2) 0.0282(9) Uani 1 1 d . . . . .
C14 C 0.9382(3) 1.1520(3) -0.1185(2) 0.0336(10) Uani 1 1 d . . . . .
H14 H 0.954478 1.124955 -0.158268 0.040 Uiso 1 1 calc R U . . .
C15 C 0.9335(3) 1.1288(3) -0.0630(2) 0.0386(11) Uani 1 1 d . . . . .
H15 H 0.946864 1.086049 -0.064709 0.046 Uiso 1 1 calc R U . . .
C16 C 0.9095(3) 1.1676(3) -0.0058(2) 0.0410(12) Uani 1 1 d . . . . .
H16 H 0.906696 1.151825 0.032100 0.049 Uiso 1 1 calc R U . . .
C17 C 0.8894(3) 1.2298(3) -0.0030(2) 0.0451(13) Uani 1 1 d . . . . .
H17 H 0.871650 1.255711 0.036344 0.054 Uiso 1 1 calc R U . . .
C18 C 0.8950(3) 1.2539(3) -0.0570(2) 0.0349(10) Uani 1 1 d . . . . .
H18 H 0.882411 1.297291 -0.054497 0.042 Uiso 1 1 calc R U . . .
C19 C 0.9584(2) 1.3493(2) -0.15079(19) 0.0249(9) Uani 1 1 d . . . . .
C20 C 1.0266(3) 1.3935(3) -0.0956(2) 0.0341(10) Uani 1 1 d . . . . .
H20 H 1.052450 1.368256 -0.076078 0.041 Uiso 1 1 calc R U . . .
C21 C 1.0566(3) 1.4735(3) -0.0693(2) 0.0381(11) Uani 1 1 d . . . . .
H21 H 1.102913 1.503179 -0.031737 0.046 Uiso 1 1 calc R U . . .
C22 C 1.0191(3) 1.5104(3) -0.0976(2) 0.0367(11) Uani 1 1 d . . . . .
H22 H 1.039027 1.565493 -0.078500 0.044 Uiso 1 1 calc R U . . .
C23 C 0.9534(3) 1.4682(3) -0.1530(2) 0.0412(12) Uani 1 1 d . . . . .
H23 H 0.929429 1.493867 -0.173598 0.049 Uiso 1 1 calc R U . . .
C24 C 0.9220(3) 1.3870(3) -0.1789(2) 0.0339(10) Uani 1 1 d . . . . .
H24 H 0.875303 1.357564 -0.216145 0.041 Uiso 1 1 calc R U . . .
C25 C 0.7499(3) 1.2022(3) -0.2009(2) 0.0387(11) Uani 1 1 d . . . . .
H25 H 0.757766 1.256459 -0.176736 0.058 Uiso 1 1 calc R U . . .
H25A H 0.751624 1.178453 -0.167320 0.058 Uiso 1 1 calc R U . . .
H25B H 0.695824 1.173844 -0.232953 0.058 Uiso 1 1 calc R U . . .
C26 C 0.7408(3) 1.2174(3) -0.3375(3) 0.0419(12) Uani 1 1 d . . . . .
H26 H 0.759899 1.271483 -0.333378 0.063 Uiso 1 1 calc R U . . .
H26A H 0.696129 1.206748 -0.311981 0.063 Uiso 1 1 calc R U . . .
H26B H 0.719985 1.182721 -0.386234 0.063 Uiso 1 1 calc R U . . .
C27 C 0.7552(3) 0.9984(3) -0.2880(2) 0.0327(10) Uani 1 1 d . . . . .
C28 C 0.6953(3) 1.0078(3) -0.3299(3) 0.0396(12) Uani 1 1 d . . . . .
C29 C 0.7048(3) 1.0040(3) -0.3982(2) 0.0396(12) Uani 1 1 d . . . . .
C30 C 0.7735(3) 0.9922(3) -0.4236(2) 0.0377(11) Uani 1 1 d . . . . .
C31 C 0.8350(3) 0.9872(3) -0.3791(2) 0.0341(10) Uani 1 1 d . . . . .
C32 C 0.8245(3) 0.9872(2) -0.3136(2) 0.0314(10) Uani 1 1 d . . . . .
C33 C 0.7417(3) 0.9992(3) -0.2171(3) 0.0531(15) Uani 1 1 d . . . . .
H33 H 0.702237 0.947904 -0.221846 0.080 Uiso 1 1 calc R U . . .
H33A H 0.719235 1.038192 -0.195513 0.080 Uiso 1 1 calc R U . . .
H33B H 0.794862 1.012030 -0.188307 0.080 Uiso 1 1 calc R U . . .
C34 C 0.6180(3) 1.0149(3) -0.3063(3) 0.0638(17) Uani 1 1 d . . . . .
H34 H 0.571673 0.963800 -0.325638 0.096 Uiso 1 1 calc R U . . .
H34A H 0.604088 1.050969 -0.322087 0.096 Uiso 1 1 calc R U . . .
H34B H 0.627794 1.034475 -0.255870 0.096 Uiso 1 1 calc R U . . .
C35 C 0.6398(3) 1.0108(3) -0.4447(3) 0.0650(18) Uani 1 1 d . . . . .
H35 H 0.667989 1.043837 -0.468708 0.098 Uiso 1 1 calc R U . . .
H35A H 0.606019 1.033888 -0.416638 0.098 Uiso 1 1 calc R U . . .
H35B H 0.603889 0.959100 -0.478585 0.098 Uiso 1 1 calc R U . . .
C36 C 0.7817(4) 0.9863(3) -0.4960(2) 0.0652(18) Uani 1 1 d . . . . .
H36 H 0.727875 0.952198 -0.527543 0.098 Uiso 1 1 calc R U . . .
H36A H 0.823278 0.964693 -0.510030 0.098 Uiso 1 1 calc R U . . .
H36B H 0.799295 1.037991 -0.497598 0.098 Uiso 1 1 calc R U . . .
C37 C 0.9113(3) 0.9765(3) -0.4052(3) 0.0592(16) Uani 1 1 d . . . . .
H37 H 0.958211 0.999661 -0.366112 0.089 Uiso 1 1 calc R U . . .
H37A H 0.925873 1.002097 -0.437696 0.089 Uiso 1 1 calc R U . . .
H37B H 0.898647 0.921023 -0.428424 0.089 Uiso 1 1 calc R U . . .
B1 B 1.3714(3) 1.1737(3) -0.2557(2) 0.0224(10) Uani 1 1 d . . . . .
C38 C 1.3216(2) 1.0795(2) -0.29399(19) 0.0237(9) Uani 1 1 d . . . . .
C39 C 1.2359(2) 1.0405(2) -0.30013(19) 0.0253(9) Uani 1 1 d . . . . .
H39 H 1.204991 1.069570 -0.278763 0.030 Uiso 1 1 calc R U . . .
C40 C 1.1942(3) 0.9605(3) -0.3364(2) 0.0286(9) Uani 1 1 d . . . . .
C41 C 1.2351(3) 0.9163(3) -0.3711(2) 0.0294(10) Uani 1 1 d . . . . .
H41 H 1.206783 0.861982 -0.396160 0.035 Uiso 1 1 calc R U . . .
C42 C 1.3204(3) 0.9546(3) -0.3679(2) 0.0273(9) Uani 1 1 d . . . . .
C43 C 1.3611(3) 1.0321(3) -0.33007(19) 0.0258(9) Uani 1 1 d . . . . .
H43 H 1.419172 1.055453 -0.327889 0.031 Uiso 1 1 calc R U . . .
C44 C 1.1030(3) 0.9230(3) -0.3408(2) 0.0407(12) Uani 1 1 d . . . . .
F1 F 1.05757(17) 0.9221(2) -0.39443(15) 0.0688(10) Uani 1 1 d . . . . .
F2 F 1.07709(17) 0.95881(18) -0.28575(14) 0.0555(8) Uani 1 1 d . . . . .
F3 F 1.0784(2) 0.8494(2) -0.3477(2) 0.0864(12) Uani 1 1 d . . . . .
C45 C 1.3666(3) 0.9068(3) -0.4045(2) 0.0380(11) Uani 1 1 d . . . . .
F4 F 1.3210(2) 0.8482(2) -0.46155(17) 0.0804(12) Uani 1 1 d . . . . .
F5 F 1.4033(3) 0.8844(3) -0.36500(17) 0.0866(13) Uani 1 1 d . . . . .
F6 F 1.42911(19) 0.94806(19) -0.42775(15) 0.0595(8) Uani 1 1 d . . . . .
C46 C 1.3829(2) 1.2046(2) -0.31826(19) 0.0231(9) Uani 1 1 d . . . . .
C47 C 1.3228(2) 1.2241(2) -0.34644(19) 0.0254(9) Uani 1 1 d . . . . .
H47 H 1.275841 1.223437 -0.325921 0.030 Uiso 1 1 calc R U . . .
C48 C 1.3302(2) 1.2446(2) -0.40393(19) 0.0241(9) Uani 1 1 d . . . . .
C49 C 1.3956(3) 1.2430(3) -0.4365(2) 0.0284(10) Uani 1 1 d . . . . .
H49 H 1.399989 1.255961 -0.475964 0.034 Uiso 1 1 calc R U . . .
C50 C 1.4548(2) 1.2224(2) -0.41131(19) 0.0257(9) Uani 1 1 d . . . . .
C51 C 1.4488(3) 1.2048(2) -0.35257(19) 0.0259(9) Uani 1 1 d . . . . .
H51 H 1.491317 1.192561 -0.335186 0.031 Uiso 1 1 calc R U . . .
C52 C 1.2651(3) 1.2657(3) -0.4313(2) 0.0326(10) Uani 1 1 d . . . . .
F7 F 1.2209(2) 1.2875(2) -0.38710(15) 0.0689(11) Uani 1 1 d . . . . .
F8 F 1.2118(2) 1.2076(2) -0.48546(19) 0.0984(15) Uani 1 1 d . . . . .
F9 F 1.2963(2) 1.3217(2) -0.4535(2) 0.0833(13) Uani 1 1 d . . . . .
C53 C 1.5253(3) 1.2198(3) -0.4472(2) 0.0335(11) Uani 1 1 d . . . . .
F10 F 1.5640(2) 1.1803(3) -0.43065(17) 0.0894(14) Uani 1 1 d . . . . .
F11 F 1.50134(17) 1.18799(18) -0.51525(12) 0.0461(7) Uani 1 1 d . . . . .
F12 F 1.58191(19) 1.2906(2) -0.43407(17) 0.0779(12) Uani 1 1 d . . . . .
C54 C 1.4624(2) 1.1978(2) -0.20832(19) 0.0225(8) Uani 1 1 d . . . . .
C55 C 1.5241(2) 1.2731(2) -0.18798(19) 0.0236(9) Uani 1 1 d . . . . .
H55 H 1.515716 1.307091 -0.207628 0.028 Uiso 1 1 calc R U . . .
C56 C 1.5969(3) 1.2996(3) -0.1401(2) 0.0283(9) Uani 1 1 d . . . . .
C57 C 1.6119(3) 1.2510(3) -0.1114(2) 0.0286(9) Uani 1 1 d . . . . .
H57 H 1.661623 1.268917 -0.078681 0.034 Uiso 1 1 calc R U . . .
C58 C 1.5540(2) 1.1769(2) -0.13105(19) 0.0241(9) Uani 1 1 d . . . . .
C59 C 1.4797(2) 1.1503(2) -0.17830(19) 0.0255(9) Uani 1 1 d . . . . .
H59 H 1.440091 1.098856 -0.190319 0.031 Uiso 1 1 calc R U . . .
C60 C 1.6601(3) 1.3811(3) -0.1197(3) 0.0407(12) Uani 1 1 d . . . . .
F13 F 1.6315(3) 1.4297(2) -0.1305(3) 0.083(2) Uani 0.831(8) 1 d . . P A 2
F14 F 1.7159(3) 1.3823(3) -0.1624(3) 0.106(3) Uani 0.831(8) 1 d . . P A 2
F15 F 1.7045(5) 1.4107(3) -0.0591(3) 0.146(4) Uani 0.831(8) 1 d . . P A 2
F16 F 1.6382(11) 1.4275(10) -0.0656(9) 0.041(6) Uiso 0.169(8) 1 d . . P A -2
F17 F 1.6594(14) 1.4039(14) -0.1642(11) 0.058(7) Uiso 0.169(8) 1 d . . P A -2
F18 F 1.7284(10) 1.3908(10) -0.0989(10) 0.029(5) Uiso 0.169(8) 1 d . . P A -2
C61 C 1.5668(3) 1.1228(3) -0.1008(2) 0.0316(10) Uani 1 1 d . . . . .
F19 F 1.5370(2) 1.04970(18) -0.14489(16) 0.0712(11) Uani 1 1 d . . . . .
F20 F 1.5317(2) 1.1227(2) -0.04662(16) 0.0666(10) Uani 1 1 d . . . . .
F21 F 1.64730(18) 1.1418(2) -0.07750(17) 0.0616(9) Uani 1 1 d . . . . .
Ru2 Ru 1.50577(2) 1.65055(2) -0.30936(2) 0.02730(10) Uani 1 1 d . . . . .
P2 P 1.57918(7) 1.75454(7) -0.15054(5) 0.0282(3) Uani 1 1 d . . . . .
C62 C 1.3247(2) 1.2150(2) -0.19910(18) 0.0213(8) Uani 1 1 d . . . . .
C63 C 1.2864(2) 1.1791(2) -0.15570(19) 0.0235(9) Uani 1 1 d . . . . .
H63 H 1.284171 1.128869 -0.162138 0.028 Uiso 1 1 calc R U . . .
C64 C 1.2515(2) 1.2148(2) -0.10363(19) 0.0236(9) Uani 1 1 d . . . . .
C65 C 1.2533(3) 1.2880(2) -0.0928(2) 0.0267(9) Uani 1 1 d . . . . .
H65 H 1.229026 1.312308 -0.057631 0.032 Uiso 1 1 calc R U . . .
C66 C 1.2912(2) 1.3248(2) -0.13427(19) 0.0230(9) Uani 1 1 d . . . . .
C67 C 1.3266(2) 1.2891(2) -0.18604(19) 0.0239(9) Uani 1 1 d . . . . .
H67 H 1.352835 1.316138 -0.213361 0.029 Uiso 1 1 calc R U . . .
C68 C 1.2097(3) 1.1748(3) -0.0590(2) 0.0311(10) Uani 1 1 d . . . . .
F22 F 1.2257(2) 1.11296(16) -0.06427(13) 0.0514(8) Uani 1 1 d . . . . .
F23 F 1.12729(18) 1.1520(2) -0.07333(17) 0.0685(10) Uani 1 1 d . . . . .
F24 F 1.23371(19) 1.22058(16) 0.00795(12) 0.0495(8) Uani 1 1 d . . . . .
C69 C 1.2956(3) 1.4047(3) -0.1218(2) 0.0365(11) Uani 1 1 d . . . . .
F25 F 1.2307(4) 1.4172(3) -0.1009(3) 0.078(2) Uani 0.874(10) 1 d . . P B 3
F26 F 1.3033(6) 1.4234(3) -0.1756(3) 0.115(3) Uani 0.874(10) 1 d . . P B 3
F27 F 1.3581(4) 1.4588(2) -0.0715(4) 0.118(3) Uani 0.874(10) 1 d . . P B 3
F28 F 1.281(2) 1.4382(16) -0.0678(14) 0.049(8) Uiso 0.126(10) 1 d . . P B -3
F29 F 1.2505(15) 1.4007(14) -0.1723(13) 0.036(7) Uiso 0.126(10) 1 d . . P B -3
F30 F 1.3669(13) 1.4489(12) -0.1211(12) 0.023(6) Uiso 0.126(10) 1 d . . P B -3
C70 C 1.4876(3) 1.7226(3) -0.2121(2) 0.0343(11) Uani 1 1 d . . . . .
C71 C 1.4978(3) 1.7599(3) -0.2618(2) 0.0330(10) Uani 1 1 d . . . . .
C72 C 1.5756(3) 1.7769(2) -0.2858(2) 0.0285(9) Uani 1 1 d . . . . .
C73 C 1.6395(2) 1.7515(2) -0.26604(19) 0.0237(9) Uani 1 1 d . . . . .
C74 C 1.6503(3) 1.7378(2) -0.20292(19) 0.0265(9) Uani 1 1 d . . . . .
C75 C 1.7139(3) 1.7187(3) -0.1848(2) 0.0330(10) Uani 1 1 d . . . . .
H75 H 1.717934 1.708179 -0.144234 0.040 Uiso 1 1 calc R U . . .
C76 C 1.7733(3) 1.7147(3) -0.2265(2) 0.0400(12) Uani 1 1 d . . . . .
H76 H 1.815760 1.698874 -0.215341 0.048 Uiso 1 1 calc R U . . .
C77 C 1.7703(3) 1.7334(3) -0.2828(2) 0.0346(11) Uani 1 1 d . . . . .
H77 H 1.811645 1.731018 -0.309689 0.041 Uiso 1 1 calc R U . . .
C78 C 1.7073(3) 1.7565(2) -0.3028(2) 0.0268(9) Uani 1 1 d . . . . .
C79 C 1.7119(3) 1.7851(3) -0.3546(2) 0.0335(10) Uani 1 1 d . . . . .
H79 H 1.754852 1.785314 -0.380109 0.040 Uiso 1 1 calc R U . . .
C80 C 1.6533(3) 1.8136(2) -0.3692(2) 0.0338(11) Uani 1 1 d . . . . .
H80 H 1.658834 1.835613 -0.403137 0.041 Uiso 1 1 calc R U . . .
C81 C 1.5893(3) 1.8107(3) -0.3364(2) 0.0327(10) Uani 1 1 d . . . . .
H81 H 1.551713 1.831786 -0.347224 0.039 Uiso 1 1 calc R U . . .
C82 C 1.5648(3) 1.7009(3) -0.0955(2) 0.0292(10) Uani 1 1 d . . . . .
C83 C 1.5593(3) 1.6251(3) -0.1218(2) 0.0393(11) Uani 1 1 d . . . . .
H83 H 1.564797 1.602359 -0.167957 0.047 Uiso 1 1 calc R U . . .
C84 C 1.5456(3) 1.5822(3) -0.0799(3) 0.0472(13) Uani 1 1 d . . . . .
H84 H 1.543215 1.530737 -0.096805 0.057 Uiso 1 1 calc R U . . .
C85 C 1.5355(3) 1.6161(3) -0.0134(2) 0.0407(12) Uani 1 1 d . . . . .
H85 H 1.524873 1.586806 0.014846 0.049 Uiso 1 1 calc R U . . .
C86 C 1.5404(3) 1.6904(3) 0.0125(2) 0.0364(11) Uani 1 1 d . . . . .
H86 H 1.533289 1.712400 0.058253 0.044 Uiso 1 1 calc R U . . .
C87 C 1.5559(3) 1.7343(3) -0.0284(2) 0.0364(11) Uani 1 1 d . . . . .
H87 H 1.560332 1.786427 -0.010444 0.044 Uiso 1 1 calc R U . . .
C88 C 1.6206(3) 1.8575(3) -0.0976(2) 0.0382(12) Uani 1 1 d . . . . .
C89 C 1.7063(4) 1.8986(3) -0.0761(2) 0.0479(14) Uani 1 1 d . . . . .
H89 H 1.742532 1.872207 -0.087126 0.057 Uiso 1 1 calc R U . . .
C90 C 1.7391(5) 1.9782(3) -0.0385(3) 0.0658(19) Uani 1 1 d . . . . .
H90 H 1.797655 2.006248 -0.023878 0.079 Uiso 1 1 calc R U . . .
C91 C 1.6870(5) 2.0160(4) -0.0225(3) 0.071(2) Uani 1 1 d . . . . .
H91 H 1.709655 2.070605 0.002713 0.086 Uiso 1 1 calc R U . . .
C92 C 1.6034(5) 1.9768(4) -0.0422(3) 0.0659(18) Uani 1 1 d . . . . .
H92 H 1.568106 2.003883 -0.029254 0.079 Uiso 1 1 calc R U . . .
C93 C 1.5682(4) 1.8967(3) -0.0813(3) 0.0526(14) Uani 1 1 d . . . . .
H93 H 1.509594 1.869714 -0.096352 0.063 Uiso 1 1 calc R U . . .
C94 C 1.4066(3) 1.6992(4) -0.1871(3) 0.0498(14) Uani 1 1 d . . . . .
H94 H 1.400924 1.745837 -0.156091 0.075 Uiso 1 1 calc R U . . .
H94A H 1.406761 1.665503 -0.162456 0.075 Uiso 1 1 calc R U . . .
H94B H 1.359813 1.671324 -0.226753 0.075 Uiso 1 1 calc R U . . .
C95 C 1.4342(3) 1.7872(4) -0.2820(3) 0.0525(15) Uani 1 1 d . . . . .
H95 H 1.453306 1.843348 -0.256658 0.079 Uiso 1 1 calc R U . . .
H95A H 1.381265 1.760653 -0.270869 0.079 Uiso 1 1 calc R U . . .
H95B H 1.426338 1.775391 -0.331611 0.079 Uiso 1 1 calc R U . . .
C96 C 1.4282(3) 1.5272(3) -0.3263(2) 0.0483(14) Uani 1 1 d . . . . .
C97 C 1.3818(3) 1.5579(3) -0.3598(2) 0.0487(14) Uani 1 1 d . . . . .
C98 C 1.4147(3) 1.5886(3) -0.4090(2) 0.0422(13) Uani 1 1 d . . . . .
C99 C 1.4926(3) 1.5901(3) -0.4240(2) 0.0327(11) Uani 1 1 d . . . . .
C100 C 1.5394(3) 1.5633(3) -0.3882(2) 0.0357(11) Uani 1 1 d . . . . .
C101 C 1.5067(3) 1.5298(3) -0.3410(2) 0.0396(12) Uani 1 1 d . . . . .
C102 C 1.3906(4) 1.4922(4) -0.2760(3) 0.082(2) Uani 1 1 d . . . . .
H102 H 1.339960 1.445573 -0.300750 0.124 Uiso 1 1 calc R U . . .
H103 H 1.376636 1.530169 -0.240352 0.124 Uiso 1 1 calc R U . . .
H104 H 1.430796 1.478435 -0.254404 0.124 Uiso 1 1 calc R U . . .
C103 C 1.2946(3) 1.5490(5) -0.3486(3) 0.085(3) Uani 1 1 d . . . . .
H105 H 1.285715 1.595251 -0.347592 0.128 Uiso 1 1 calc R U . . .
H106 H 1.288024 1.543028 -0.304729 0.128 Uiso 1 1 calc R U . . .
H107 H 1.253783 1.503081 -0.386348 0.128 Uiso 1 1 calc R U . . .
C104 C 1.3643(3) 1.6176(4) -0.4462(3) 0.0626(17) Uani 1 1 d . . . . .
H108 H 1.400782 1.650814 -0.466559 0.094 Uiso 1 1 calc R U . . .
H109 H 1.339508 1.647575 -0.413291 0.094 Uiso 1 1 calc R U . . .
H110 H 1.319986 1.573268 -0.482639 0.094 Uiso 1 1 calc R U . . .
C105 C 1.5262(3) 1.6224(3) -0.4766(2) 0.0457(13) Uani 1 1 d . . . . .
H111 H 1.555747 1.678931 -0.454054 0.069 Uiso 1 1 calc R U . . .
H112 H 1.479962 1.609861 -0.513044 0.069 Uiso 1 1 calc R U . . .
H113 H 1.564620 1.599476 -0.496633 0.069 Uiso 1 1 calc R U . . .
C106 C 1.6239(3) 1.5685(3) -0.4039(3) 0.0509(14) Uani 1 1 d . . . . .
H114 H 1.617081 1.523524 -0.445325 0.076 Uiso 1 1 calc R U . . .
H115 H 1.657829 1.568951 -0.364867 0.076 Uiso 1 1 calc R U . . .
H116 H 1.651498 1.616269 -0.411641 0.076 Uiso 1 1 calc R U . . .
C107 C 1.5553(4) 1.4950(3) -0.3099(3) 0.0641(18) Uani 1 1 d . . . . .
H117 H 1.608084 1.536082 -0.280898 0.096 Uiso 1 1 calc R U . . .
H118 H 1.566457 1.456096 -0.346772 0.096 Uiso 1 1 calc R U . . .
H119 H 1.522752 1.470355 -0.281688 0.096 Uiso 1 1 calc R U . . .
B2 B 2.0405(3) 1.6612(3) -0.2532(2) 0.0241(10) Uani 1 1 d . . . . .
C108 C 1.9503(3) 1.6203(2) -0.23467(19) 0.0233(9) Uani 1 1 d . . . . .
C109 C 1.9348(2) 1.6424(2) -0.16750(19) 0.0236(9) Uani 1 1 d . . . . .
H120 H 1.976829 1.685515 -0.131487 0.028 Uiso 1 1 calc R U . . .
C110 C 1.8602(3) 1.6035(2) -0.15189(19) 0.0242(9) Uani 1 1 d . . . . .
C111 C 1.7977(3) 1.5389(2) -0.2025(2) 0.0290(9) Uani 1 1 d . . . . .
H121 H 1.746486 1.512292 -0.192091 0.035 Uiso 1 1 calc R U . . .
C112 C 1.8126(3) 1.5149(2) -0.2682(2) 0.0264(9) Uani 1 1 d . . . . .
C113 C 1.8866(2) 1.5549(2) -0.28440(19) 0.0243(9) Uani 1 1 d . . . . .
H122 H 1.893968 1.537157 -0.330618 0.029 Uiso 1 1 calc R U . . .
C114 C 1.8472(3) 1.6279(3) -0.0793(2) 0.0354(11) Uani 1 1 d . . . . .
F31 F 1.8933(2) 1.6997(2) -0.04048(15) 0.0906(14) Uani 1 1 d . . . . .
F32 F 1.8605(3) 1.5850(3) -0.04784(15) 0.0946(15) Uani 1 1 d . . . . .
F33 F 1.76943(19) 1.6205(2) -0.07586(14) 0.0617(9) Uani 1 1 d . . . . .
C115 C 1.7496(3) 1.4429(3) -0.3239(2) 0.0350(11) Uani 1 1 d . . . . .
F34 F 1.78131(19) 1.38992(16) -0.35052(15) 0.0554(8) Uani 1 1 d . . . . .
F35 F 1.68230(18) 1.40835(18) -0.30245(13) 0.0572(9) Uani 1 1 d . . . . .
F36 F 1.72387(19) 1.45677(17) -0.37771(13) 0.0548(9) Uani 1 1 d . . . . .
C116 C 2.0826(2) 1.7559(2) -0.21229(19) 0.0228(8) Uani 1 1 d . . . . .
C117 C 2.0369(3) 1.8005(2) -0.18605(19) 0.0262(9) Uani 1 1 d . . . . .
H123 H 1.979103 1.774616 -0.188608 0.031 Uiso 1 1 calc R U . . .
C118 C 2.0726(3) 1.8811(3) -0.1564(2) 0.0308(10) Uani 1 1 d . . . . .
C119 C 2.1567(3) 1.9211(2) -0.1508(2) 0.0317(10) Uani 1 1 d . . . . .
H124 H 2.181735 1.976161 -0.129508 0.038 Uiso 1 1 calc R U . . .
C120 C 2.2033(3) 1.8788(3) -0.1772(2) 0.0282(9) Uani 1 1 d . . . . .
C121 C 2.1668(3) 1.7982(2) -0.2075(2) 0.0270(9) Uani 1 1 d . . . . .
H125 H 2.200507 1.770780 -0.225613 0.032 Uiso 1 1 calc R U . . .
C122 C 2.0214(3) 1.9257(3) -0.1264(3) 0.0449(13) Uani 1 1 d . . . . .
F37 F 1.9435(2) 1.8851(2) -0.1398(4) 0.182(3) Uani 1 1 d . . . . .
F38 F 2.0271(3) 1.9811(3) -0.14957(19) 0.0940(14) Uani 1 1 d . . . . .
F39 F 2.0454(3) 1.9648(3) -0.06010(16) 0.1018(16) Uani 1 1 d . . . . .
C123 C 2.2945(3) 1.9189(3) -0.1739(2) 0.0376(11) Uani 1 1 d . . . . .
F40 F 2.32233(19) 1.99583(18) -0.1449(2) 0.0755(11) Uani 1 1 d . . . . .
F41 F 2.34181(17) 1.89937(18) -0.13675(15) 0.0527(8) Uani 1 1 d . . . . .
F42 F 2.31511(18) 1.9004(2) -0.23570(15) 0.0620(9) Uani 1 1 d . . . . .
C124 C 2.0975(2) 1.6184(2) -0.23329(19) 0.0232(9) Uani 1 1 d . . . . .
C125 C 2.1573(2) 1.6517(2) -0.17269(19) 0.0239(9) Uani 1 1 d . . . . .
H126 H 2.172266 1.704696 -0.144180 0.029 Uiso 1 1 calc R U . . .
C126 C 2.1960(2) 1.6092(2) -0.1526(2) 0.0247(9) Uani 1 1 d . . . . .
C127 C 2.1770(3) 1.5325(3) -0.1923(2) 0.0272(9) Uani 1 1 d . . . . .
H127 H 2.203485 1.504033 -0.178461 0.033 Uiso 1 1 calc R U . . .
C128 C 2.1180(3) 1.4980(2) -0.2531(2) 0.0262(9) Uani 1 1 d . . . . .
C129 C 2.0793(3) 1.5401(2) -0.2728(2) 0.0263(9) Uani 1 1 d . . . . .
H129 H 2.038927 1.514821 -0.314571 0.032 Uiso 1 1 calc R U . . .
C130 C 2.2542(3) 1.6469(3) -0.0838(2) 0.0321(10) Uani 1 1 d . . . . .
F43 F 2.30035(16) 1.72255(16) -0.06777(12) 0.0412(7) Uani 1 1 d . . . . .
F44 F 2.30810(17) 1.61443(18) -0.07954(13) 0.0482(8) Uani 1 1 d . . . . .
F45 F 2.21300(16) 1.64511(17) -0.03202(12) 0.0451(7) Uani 1 1 d . . . . .
C131 C 2.0953(3) 1.4140(3) -0.2972(2) 0.0327(10) Uani 1 1 d . . . . .
F46 F 2.1490(5) 1.4029(3) -0.3341(5) 0.140(4) Uani 0.786(9) 1 d . . P C 1
F47 F 2.0224(4) 1.3811(3) -0.3393(4) 0.113(3) Uani 0.786(9) 1 d . . P C 1
F48 F 2.0876(5) 1.3698(2) -0.2619(2) 0.082(2) Uani 0.786(9) 1 d . . P C 1
F49 F 2.1474(10) 1.3871(9) -0.2808(8) 0.044(5) Uiso 0.214(9) 1 d . . P C -1
F50 F 2.0971(10) 1.4042(8) -0.3590(7) 0.031(4) Uiso 0.214(9) 1 d . . P C -1
F51 F 2.0231(11) 1.3723(10) -0.2974(10) 0.055(5) Uiso 0.214(9) 1 d . . P C -1
C132 C 2.0285(2) 1.6491(2) -0.33527(19) 0.0234(9) Uani 1 1 d . . . . .
C133 C 2.0794(3) 1.6290(2) -0.3791(2) 0.0270(9) Uani 1 1 d . . . . .
H133 H 2.123084 1.617563 -0.362593 0.032 Uiso 1 1 calc R U . . .
C134 C 2.0690(3) 1.6247(3) -0.4471(2) 0.0326(10) Uani 1 1 d . . . . .
C135 C 2.0054(3) 1.6407(3) -0.4732(2) 0.0343(11) Uani 1 1 d . . . . .
H135 H 1.997547 1.637436 -0.519373 0.041 Uiso 1 1 calc R U . . .
C136 C 1.9539(3) 1.6614(3) -0.4301(2) 0.0301(10) Uani 1 1 d . . . . .
C137 C 1.9653(2) 1.6653(2) -0.36264(19) 0.0259(9) Uani 1 1 d . . . . .
H137 H 1.928844 1.679510 -0.334243 0.031 Uiso 1 1 calc R U . . .
C138 C 2.1265(3) 1.6034(4) -0.4914(2) 0.0461(13) Uani 1 1 d . . . . .
F52 F 2.1498(2) 1.5509(2) -0.48147(17) 0.0755(11) Uani 1 1 d . . . . .
F53 F 2.1952(2) 1.6630(2) -0.4819(2) 0.0983(14) Uani 1 1 d . . . . .
F54 F 2.0922(2) 1.5720(3) -0.55845(15) 0.0937(15) Uani 1 1 d . . . . .
C139 C 1.8845(3) 1.6784(4) -0.4563(2) 0.0452(14) Uani 1 1 d . . . . .
F55 F 1.8862(3) 1.6837(3) -0.51560(17) 0.1144(19) Uani 1 1 d . . . . .
F56 F 1.8112(2) 1.6304(3) -0.4570(2) 0.1025(16) Uani 1 1 d . . . . .
F57 F 1.8852(2) 1.7468(3) -0.41454(19) 0.0840(12) Uani 1 1 d . . . . .
C140 C 0.8865(3) 0.9708(3) -0.2731(3) 0.0573(16) Uani 1 1 d . . . . .
H140 H 0.890263 0.922159 -0.301729 0.086 Uiso 1 1 calc R U . . .
H141 H 0.867634 0.966297 -0.231309 0.086 Uiso 1 1 calc R U . . .
H142 H 0.941404 1.013458 -0.260324 0.086 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ru1 C2 2.111(4) . ?
Ru1 C1 2.160(4) . ?
Ru1 C28 2.195(4) . ?
Ru1 C29 2.231(4) . ?
Ru1 C3 2.233(4) . ?
Ru1 C27 2.233(4) . ?
Ru1 C31 2.240(5) . ?
Ru1 C32 2.271(4) . ?
Ru1 C30 2.283(4) . ?
Ru1 C4 2.370(4) . ?
P1 C5 1.762(4) . ?
P1 C1 1.769(4) . ?
P1 C19 1.800(4) . ?
P1 C13 1.803(4) . ?
C1 C2 1.461(6) . ?
C1 C25 1.517(6) . ?
C2 C3 1.427(6) . ?
C2 C26 1.506(6) . ?
C3 C12 1.440(6) . ?
C3 C4 1.469(5) . ?
C4 C5 1.449(5) . ?
C4 C9 1.455(6) . ?
C5 C6 1.373(5) . ?
C6 C7 1.417(6) . ?
C7 C8 1.350(6) . ?
C8 C9 1.424(6) . ?
C9 C10 1.386(6) . ?
C10 C11 1.389(7) . ?
C11 C12 1.362(7) . ?
C13 C14 1.390(6) . ?
C13 C18 1.393(6) . ?
C14 C15 1.393(6) . ?
C15 C16 1.372(7) . ?
C16 C17 1.385(7) . ?
C17 C18 1.374(6) . ?
C19 C24 1.383(6) . ?
C19 C20 1.398(6) . ?
C20 C21 1.380(6) . ?
C21 C22 1.384(6) . ?
C22 C23 1.375(6) . ?
C23 C24 1.400(6) . ?
C27 C32 1.414(6) . ?
C27 C28 1.433(6) . ?
C27 C33 1.522(6) . ?
C28 C29 1.437(7) . ?
C28 C34 1.505(7) . ?
C29 C30 1.407(7) . ?
C29 C35 1.528(6) . ?
C30 C31 1.437(6) . ?
C30 C36 1.510(7) . ?
C31 C32 1.403(6) . ?
C31 C37 1.529(7) . ?
C32 C140 1.530(6) . ?
B1 C46 1.628(6) . ?
B1 C38 1.635(6) . ?
B1 C62 1.641(6) . ?
B1 C54 1.647(6) . ?
C38 C39 1.402(5) . ?
C38 C43 1.408(5) . ?
C39 C40 1.395(6) . ?
C40 C41 1.376(6) . ?
C40 C44 1.490(6) . ?
C41 C42 1.405(6) . ?
C42 C43 1.362(6) . ?
C42 C45 1.508(6) . ?
C44 F3 1.329(6) . ?
C44 F1 1.332(5) . ?
C44 F2 1.337(5) . ?
C45 F5 1.302(5) . ?
C45 F4 1.312(5) . ?
C45 F6 1.350(6) . ?
C46 C51 1.399(5) . ?
C46 C47 1.407(5) . ?
C47 C48 1.402(5) . ?
C48 C49 1.374(5) . ?
C48 C52 1.493(5) . ?
C49 C50 1.379(6) . ?
C50 C51 1.396(5) . ?
C50 C53 1.493(6) . ?
C52 F7 1.305(5) . ?
C52 F9 1.313(5) . ?
C52 F8 1.316(5) . ?
C53 F10 1.315(5) . ?
C53 F11 1.325(5) . ?
C53 F12 1.332(6) . ?
C54 C59 1.403(5) . ?
C54 C55 1.405(5) . ?
C55 C56 1.390(5) . ?
C56 C57 1.390(6) . ?
C56 C60 1.503(6) . ?
C57 C58 1.366(6) . ?
C58 C59 1.402(5) . ?
C58 C61 1.497(6) . ?
C60 F17 1.17(2) . ?
C60 F18 1.174(17) . ?
C60 F15 1.277(6) . ?
C60 F13 1.311(6) . ?
C60 F14 1.366(7) . ?
C60 F16 1.375(17) . ?
F13 F17 0.99(2) . ?
F13 F16 1.381(18) . ?
F14 F17 1.21(2) . ?
F14 F18 1.284(18) . ?
F15 F18 0.984(16) . ?
F15 F16 1.328(17) . ?
C61 F19 1.322(5) . ?
C61 F20 1.328(5) . ?
C61 F21 1.336(5) . ?
Ru2 C71 2.126(5) . ?
Ru2 C70 2.182(4) . ?
Ru2 C97 2.199(5) . ?
Ru2 C98 2.220(4) . ?
Ru2 C100 2.238(5) . ?
Ru2 C72 2.238(4) . ?
Ru2 C96 2.241(5) . ?
Ru2 C99 2.259(4) . ?
Ru2 C101 2.275(5) . ?
Ru2 C73 2.358(4) . ?
P2 C74 1.757(4) . ?
P2 C70 1.769(4) . ?
P2 C82 1.799(4) . ?
P2 C88 1.813(5) . ?
C62 C67 1.395(5) . ?
C62 C63 1.407(5) . ?
C63 C64 1.392(5) . ?
C64 C65 1.386(6) . ?
C64 C68 1.496(6) . ?
C65 C66 1.380(5) . ?
C66 C67 1.394(5) . ?
C66 C69 1.497(6) . ?
C68 F22 1.328(5) . ?
C68 F23 1.332(5) . ?
C68 F24 1.336(5) . ?
C69 F28 1.20(3) . ?
C69 F30 1.25(2) . ?
C69 F29 1.25(2) . ?
C69 F26 1.308(6) . ?
C69 F25 1.315(6) . ?
C69 F27 1.320(7) . ?
F25 F28 0.95(3) . ?
F25 F29 1.52(3) . ?
F26 F29 0.89(2) . ?
F26 F30 1.37(2) . ?
F27 F30 1.028(19) . ?
F27 F28 1.28(3) . ?
C70 C71 1.462(6) . ?
C70 C94 1.517(6) . ?
C71 C72 1.450(6) . ?
C71 C95 1.497(6) . ?
C72 C81 1.430(6) . ?
C72 C73 1.472(6) . ?
C73 C78 1.451(6) . ?
C73 C74 1.459(5) . ?
C74 C75 1.370(6) . ?
C75 C76 1.408(6) . ?
C76 C77 1.360(6) . ?
C77 C78 1.426(6) . ?
C78 C79 1.384(6) . ?
C79 C80 1.401(6) . ?
C80 C81 1.347(6) . ?
C82 C83 1.386(6) . ?
C82 C87 1.388(6) . ?
C83 C84 1.399(6) . ?
C84 C85 1.387(7) . ?
C85 C86 1.361(7) . ?
C86 C87 1.397(6) . ?
C88 C93 1.389(7) . ?
C88 C89 1.390(7) . ?
C89 C90 1.388(7) . ?
C90 C91 1.364(9) . ?
C91 C92 1.353(9) . ?
C92 C93 1.401(8) . ?
C96 C101 1.414(7) . ?
C96 C97 1.450(8) . ?
C96 C102 1.518(7) . ?
C97 C98 1.427(7) . ?
C97 C103 1.516(7) . ?
C98 C99 1.412(7) . ?
C98 C104 1.519(7) . ?
C99 C100 1.425(6) . ?
C99 C105 1.510(6) . ?
C100 C101 1.419(6) . ?
C100 C106 1.511(7) . ?
C101 C107 1.513(7) . ?
B2 C124 1.639(6) . ?
B2 C116 1.640(6) . ?
B2 C108 1.644(6) . ?
B2 C132 1.652(6) . ?
C108 C113 1.398(5) . ?
C108 C109 1.406(5) . ?
C109 C110 1.390(6) . ?
C110 C111 1.390(6) . ?
C110 C114 1.498(6) . ?
C111 C112 1.378(6) . ?
C112 C113 1.395(6) . ?
C112 C115 1.498(6) . ?
C114 F31 1.299(5) . ?
C114 F32 1.313(6) . ?
C114 F33 1.327(5) . ?
C115 F35 1.333(5) . ?
C115 F34 1.336(5) . ?
C115 F36 1.341(5) . ?
C116 C117 1.397(6) . ?
C116 C121 1.397(6) . ?
C117 C118 1.390(6) . ?
C118 C119 1.383(6) . ?
C118 C122 1.497(6) . ?
C119 C120 1.380(6) . ?
C120 C121 1.390(6) . ?
C120 C123 1.500(6) . ?
C122 F37 1.273(6) . ?
C122 F39 1.301(6) . ?
C122 F38 1.326(6) . ?
C123 F40 1.329(5) . ?
C123 F42 1.335(5) . ?
C123 F41 1.343(5) . ?
C124 C125 1.394(5) . ?
C124 C129 1.403(6) . ?
C125 C126 1.400(5) . ?
C126 C127 1.374(6) . ?
C126 C130 1.501(6) . ?
C127 C128 1.388(6) . ?
C128 C129 1.391(5) . ?
C128 C131 1.502(6) . ?
C130 F44 1.331(5) . ?
C130 F43 1.345(5) . ?
C130 F45 1.346(5) . ?
C131 F51 1.245(17) . ?
C131 F50 1.254(14) . ?
C131 F46 1.288(6) . ?
C131 F49 1.293(14) . ?
C131 F48 1.312(6) . ?
C131 F47 1.315(6) . ?
F46 F50 1.035(13) . ?
F46 F49 1.265(15) . ?
F47 F51 0.956(16) . ?
F47 F50 1.369(15) . ?
F48 F49 1.125(16) . ?
F48 F51 1.341(19) . ?
C132 C133 1.381(5) . ?
C132 C137 1.400(5) . ?
C133 C134 1.401(6) . ?
C134 C135 1.392(6) . ?
C134 C138 1.486(6) . ?
C135 C136 1.383(6) . ?
C136 C137 1.394(5) . ?
C136 C139 1.492(6) . ?
C138 F53 1.306(6) . ?
C138 F52 1.319(6) . ?
C138 F54 1.335(5) . ?
C139 F55 1.290(5) . ?
C139 F56 1.301(6) . ?
C139 F57 1.345(6) . ?

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
C2 Ru1 C1 40.00(16) . . ?
C2 Ru1 C28 112.15(17) . . ?
C1 Ru1 C28 102.87(17) . . ?
C2 Ru1 C29 107.19(16) . . ?
C1 Ru1 C29 124.48(18) . . ?
C28 Ru1 C29 37.86(18) . . ?
C2 Ru1 C3 38.22(16) . . ?
C1 Ru1 C3 68.77(16) . . ?
C28 Ru1 C3 142.09(16) . . ?
C29 Ru1 C3 115.32(15) . . ?
C2 Ru1 C27 137.05(18) . . ?
C1 Ru1 C27 105.61(17) . . ?
C28 Ru1 C27 37.74(16) . . ?
C29 Ru1 C27 67.59(16) . . ?
C3 Ru1 C27 174.39(16) . . ?
C2 Ru1 C31 153.83(17) . . ?
C1 Ru1 C31 164.07(16) . . ?
C28 Ru1 C31 79.01(18) . . ?
C29 Ru1 C31 66.38(18) . . ?
C3 Ru1 C31 119.36(17) . . ?
C27 Ru1 C31 66.04(17) . . ?
C2 Ru1 C32 169.71(16) . . ?
C1 Ru1 C32 129.72(16) . . ?
C28 Ru1 C32 66.87(17) . . ?
C29 Ru1 C32 78.50(16) . . ?
C3 Ru1 C32 147.29(17) . . ?
C27 Ru1 C32 36.58(16) . . ?
C31 Ru1 C32 36.24(16) . . ?
C2 Ru1 C30 123.70(16) . . ?
C1 Ru1 C30 157.92(16) . . ?
C28 Ru1 C30 66.78(18) . . ?
C29 Ru1 C30 36.31(18) . . ?
C3 Ru1 C30 106.68(16) . . ?
C27 Ru1 C30 78.54(17) . . ?
C31 Ru1 C30 37.04(16) . . ?
C32 Ru1 C30 65.94(16) . . ?
C2 Ru1 C4 68.40(15) . . ?
C1 Ru1 C4 79.26(15) . . ?
C28 Ru1 C4 177.32(16) . . ?
C29 Ru1 C4 139.51(16) . . ?
C3 Ru1 C4 37.08(14) . . ?
C27 Ru1 C4 143.48(15) . . ?
C31 Ru1 C4 99.40(16) . . ?
C32 Ru1 C4 113.09(15) . . ?
C30 Ru1 C4 110.65(16) . . ?
C5 P1 C1 102.27(19) . . ?
C5 P1 C19 111.55(19) . . ?
C1 P1 C19 114.5(2) . . ?
C5 P1 C13 111.9(2) . . ?
C1 P1 C13 110.5(2) . . ?
C19 P1 C13 106.27(19) . . ?
C2 C1 C25 119.9(4) . . ?
C2 C1 P1 116.9(3) . . ?
C25 C1 P1 113.3(3) . . ?
C2 C1 Ru1 68.2(2) . . ?
C25 C1 Ru1 125.3(3) . . ?
P1 C1 Ru1 105.97(19) . . ?
C3 C2 C1 118.5(4) . . ?
C3 C2 C26 120.4(4) . . ?
C1 C2 C26 121.0(4) . . ?
C3 C2 Ru1 75.5(3) . . ?
C1 C2 Ru1 71.8(2) . . ?
C26 C2 Ru1 127.1(3) . . ?
C2 C3 C12 121.5(4) . . ?
C2 C3 C4 121.5(4) . . ?
C12 C3 C4 116.7(4) . . ?
C2 C3 Ru1 66.2(2) . . ?
C12 C3 Ru1 125.4(3) . . ?
C4 C3 Ru1 76.5(2) . . ?
C5 C4 C9 116.0(3) . . ?
C5 C4 C3 124.1(4) . . ?
C9 C4 C3 118.4(4) . . ?
C5 C4 Ru1 94.9(2) . . ?
C9 C4 Ru1 122.4(3) . . ?
C3 C4 Ru1 66.4(2) . . ?
C6 C5 C4 121.7(4) . . ?
C6 C5 P1 121.9(3) . . ?
C4 C5 P1 116.4(3) . . ?
C5 C6 C7 120.6(4) . . ?
C8 C7 C6 119.7(4) . . ?
C7 C8 C9 122.3(4) . . ?
C10 C9 C8 121.2(4) . . ?
C10 C9 C4 119.8(4) . . ?
C8 C9 C4 118.8(4) . . ?
C9 C10 C11 121.4(5) . . ?
C12 C11 C10 120.9(4) . . ?
C11 C12 C3 122.2(5) . . ?
C14 C13 C18 119.5(4) . . ?
C14 C13 P1 121.8(3) . . ?
C18 C13 P1 118.6(3) . . ?
C13 C14 C15 119.7(4) . . ?
C16 C15 C14 120.1(5) . . ?
C15 C16 C17 120.3(4) . . ?
C18 C17 C16 120.1(5) . . ?
C17 C18 C13 120.3(5) . . ?
C24 C19 C20 119.0(4) . . ?
C24 C19 P1 119.5(3) . . ?
C20 C19 P1 121.4(3) . . ?
C21 C20 C19 120.4(4) . . ?
C20 C21 C22 120.0(4) . . ?
C23 C22 C21 120.6(4) . . ?
C22 C23 C24 119.4(4) . . ?
C19 C24 C23 120.6(4) . . ?
C32 C27 C28 119.7(4) . . ?
C32 C27 C33 121.4(4) . . ?
C28 C27 C33 118.9(5) . . ?
C32 C27 Ru1 73.2(2) . . ?
C28 C27 Ru1 69.7(2) . . ?
C33 C27 Ru1 130.3(3) . . ?
C27 C28 C29 119.9(4) . . ?
C27 C28 C34 121.2(5) . . ?
C29 C28 C34 118.7(5) . . ?
C27 C28 Ru1 72.6(2) . . ?
C29 C28 Ru1 72.4(3) . . ?
C34 C28 Ru1 131.5(4) . . ?
C30 C29 C28 120.2(4) . . ?
C30 C29 C35 119.1(5) . . ?
C28 C29 C35 120.7(5) . . ?
C30 C29 Ru1 73.8(3) . . ?
C28 C29 Ru1 69.7(2) . . ?
C35 C29 Ru1 130.0(3) . . ?
C29 C30 C31 118.7(4) . . ?
C29 C30 C36 119.7(5) . . ?
C31 C30 C36 121.5(5) . . ?
C29 C30 Ru1 69.9(3) . . ?
C31 C30 Ru1 69.9(2) . . ?
C36 C30 Ru1 131.8(3) . . ?
C32 C31 C30 121.5(4) . . ?
C32 C31 C37 118.9(4) . . ?
C30 C31 C37 119.5(4) . . ?
C32 C31 Ru1 73.1(3) . . ?
C30 C31 Ru1 73.1(3) . . ?
C37 C31 Ru1 129.8(3) . . ?
C31 C32 C27 119.8(4) . . ?
C31 C32 C140 118.5(5) . . ?
C27 C32 C140 121.6(4) . . ?
C31 C32 Ru1 70.7(2) . . ?
C27 C32 Ru1 70.2(2) . . ?
C140 C32 Ru1 134.5(3) . . ?
C46 B1 C38 104.8(3) . . ?
C46 B1 C62 113.6(3) . . ?
C38 B1 C62 113.5(3) . . ?
C46 B1 C54 110.9(3) . . ?
C38 B1 C54 112.0(3) . . ?
C62 B1 C54 102.3(3) . . ?
C39 C38 C43 114.5(4) . . ?
C39 C38 B1 123.8(4) . . ?
C43 C38 B1 121.3(4) . . ?
C40 C39 C38 122.5(4) . . ?
C41 C40 C39 121.1(4) . . ?
C41 C40 C44 119.3(4) . . ?
C39 C40 C44 119.5(4) . . ?
C40 C41 C42 117.5(4) . . ?
C43 C42 C41 120.8(4) . . ?
C43 C42 C45 120.9(4) . . ?
C41 C42 C45 118.2(4) . . ?
C42 C43 C38 123.5(4) . . ?
F3 C44 F1 105.7(4) . . ?
F3 C44 F2 106.6(4) . . ?
F1 C44 F2 105.0(4) . . ?
F3 C44 C40 112.7(4) . . ?
F1 C44 C40 112.8(4) . . ?
F2 C44 C40 113.4(4) . . ?
F5 C45 F4 111.3(5) . . ?
F5 C45 F6 104.1(4) . . ?
F4 C45 F6 102.2(4) . . ?
F5 C45 C42 113.6(4) . . ?
F4 C45 C42 113.3(4) . . ?
F6 C45 C42 111.4(4) . . ?
C51 C46 C47 115.5(4) . . ?
C51 C46 B1 121.6(3) . . ?
C47 C46 B1 122.5(4) . . ?
C48 C47 C46 121.9(4) . . ?
C49 C48 C47 120.5(4) . . ?
C49 C48 C52 119.8(4) . . ?
C47 C48 C52 119.7(4) . . ?
C48 C49 C50 119.3(4) . . ?
C49 C50 C51 120.1(4) . . ?
C49 C50 C53 119.3(4) . . ?
C51 C50 C53 120.6(4) . . ?
C50 C51 C46 122.7(4) . . ?
F7 C52 F9 106.6(4) . . ?
F7 C52 F8 106.3(4) . . ?
F9 C52 F8 104.1(4) . . ?
F7 C52 C48 114.5(3) . . ?
F9 C52 C48 112.6(4) . . ?
F8 C52 C48 112.0(4) . . ?
F10 C53 F11 106.4(4) . . ?
F10 C53 F12 107.5(4) . . ?
F11 C53 F12 104.5(4) . . ?
F10 C53 C50 113.3(4) . . ?
F11 C53 C50 112.8(3) . . ?
F12 C53 C50 111.8(4) . . ?
C59 C54 C55 115.7(4) . . ?
C59 C54 B1 123.4(4) . . ?
C55 C54 B1 120.3(4) . . ?
C56 C55 C54 122.3(4) . . ?
C55 C56 C57 120.4(4) . . ?
C55 C56 C60 119.9(4) . . ?
C57 C56 C60 119.7(4) . . ?
C58 C57 C56 118.8(4) . . ?
C57 C58 C59 121.0(4) . . ?
C57 C58 C61 120.7(4) . . ?
C59 C58 C61 118.2(4) . . ?
C58 C59 C54 121.7(4) . . ?
F17 C60 F18 109.8(15) . . ?
F17 C60 F15 133.1(11) . . ?
F18 C60 F15 47.1(8) . . ?
F17 C60 F13 46.6(12) . . ?
F18 C60 F13 129.7(9) . . ?
F15 C60 F13 110.7(6) . . ?
F17 C60 F14 56.5(13) . . ?
F18 C60 F14 60.2(9) . . ?
F15 C60 F14 104.8(6) . . ?
F13 C60 F14 99.9(5) . . ?
F17 C60 F16 107.4(15) . . ?
F18 C60 F16 105.3(11) . . ?
F15 C60 F16 60.0(8) . . ?
F13 C60 F16 61.9(8) . . ?
F14 C60 F16 143.3(9) . . ?
F17 C60 C56 112.1(11) . . ?
F18 C60 C56 114.9(9) . . ?
F15 C60 C56 114.7(4) . . ?
F13 C60 C56 115.3(4) . . ?
F14 C60 C56 109.9(4) . . ?
F16 C60 C56 106.8(8) . . ?
F17 F13 C60 59.3(13) . . ?
F17 F13 F16 119.3(16) . . ?
C60 F13 F16 61.3(8) . . ?
F17 F14 F18 100.4(13) . . ?
F17 F14 C60 53.7(10) . . ?
F18 F14 C60 52.5(7) . . ?
F18 F15 C60 60.9(10) . . ?
F18 F15 F16 122.1(13) . . ?
C60 F15 F16 63.7(8) . . ?
F15 F16 C60 56.4(8) . . ?
F15 F16 F13 103.6(12) . . ?
C60 F16 F13 56.8(7) . . ?
F13 F17 C60 74.1(15) . . ?
F13 F17 F14 137(2) . . ?
C60 F17 F14 69.9(14) . . ?
F15 F18 C60 72.0(11) . . ?
F15 F18 F14 134.5(17) . . ?
C60 F18 F14 67.4(10) . . ?
F19 C61 F20 106.1(4) . . ?
F19 C61 F21 106.5(4) . . ?
F20 C61 F21 104.8(3) . . ?
F19 C61 C58 113.4(3) . . ?
F20 C61 C58 113.2(4) . . ?
F21 C61 C58 112.3(4) . . ?
C71 Ru2 C70 39.65(16) . . ?
C71 Ru2 C97 111.1(2) . . ?
C70 Ru2 C97 104.50(19) . . ?
C71 Ru2 C98 106.81(18) . . ?
C70 Ru2 C98 126.21(18) . . ?
C97 Ru2 C98 37.67(17) . . ?
C71 Ru2 C100 154.69(17) . . ?
C70 Ru2 C100 162.80(17) . . ?
C97 Ru2 C100 79.37(19) . . ?
C98 Ru2 C100 66.79(18) . . ?
C71 Ru2 C72 38.72(16) . . ?
C70 Ru2 C72 68.70(17) . . ?
C97 Ru2 C72 139.95(19) . . ?
C98 Ru2 C72 113.26(17) . . ?
C100 Ru2 C72 119.16(17) . . ?
C71 Ru2 C96 136.0(2) . . ?
C70 Ru2 C96 106.32(19) . . ?
C97 Ru2 C96 38.1(2) . . ?
C98 Ru2 C96 67.74(18) . . ?
C100 Ru2 C96 66.17(19) . . ?
C72 Ru2 C96 174.65(19) . . ?
C71 Ru2 C99 124.31(17) . . ?
C70 Ru2 C99 159.82(17) . . ?
C97 Ru2 C99 66.93(17) . . ?
C98 Ru2 C99 36.73(17) . . ?
C100 Ru2 C99 36.96(17) . . ?
C72 Ru2 C99 105.39(15) . . ?
C96 Ru2 C99 78.60(17) . . ?
C71 Ru2 C101 168.51(17) . . ?
C70 Ru2 C101 128.94(17) . . ?
C97 Ru2 C101 67.3(2) . . ?
C98 Ru2 C101 79.10(19) . . ?
C100 Ru2 C101 36.66(17) . . ?
C72 Ru2 C101 148.33(18) . . ?
C96 Ru2 C101 36.49(19) . . ?
C99 Ru2 C101 66.28(17) . . ?
C71 Ru2 C73 69.06(16) . . ?
C70 Ru2 C73 79.41(15) . . ?
C97 Ru2 C73 174.20(15) . . ?
C98 Ru2 C73 136.53(16) . . ?
C100 Ru2 C73 98.16(15) . . ?
C72 Ru2 C73 37.24(14) . . ?
C96 Ru2 C73 145.39(18) . . ?
C99 Ru2 C73 107.96(14) . . ?
C101 Ru2 C73 113.72(16) . . ?
C74 P2 C70 102.2(2) . . ?
C74 P2 C82 111.8(2) . . ?
C70 P2 C82 112.2(2) . . ?
C74 P2 C88 107.6(2) . . ?
C70 P2 C88 113.8(2) . . ?
C82 P2 C88 109.1(2) . . ?
C67 C62 C63 115.7(4) . . ?
C67 C62 B1 123.6(4) . . ?
C63 C62 B1 120.4(4) . . ?
C64 C63 C62 122.2(4) . . ?
C65 C64 C63 120.6(4) . . ?
C65 C64 C68 118.3(4) . . ?
C63 C64 C68 121.1(4) . . ?
C66 C65 C64 118.4(4) . . ?
C65 C66 C67 120.9(4) . . ?
C65 C66 C69 118.9(4) . . ?
C67 C66 C69 120.2(4) . . ?
C66 C67 C62 122.3(4) . . ?
F22 C68 F23 107.6(4) . . ?
F22 C68 F24 105.3(3) . . ?
F23 C68 F24 105.6(4) . . ?
F22 C68 C64 113.0(4) . . ?
F23 C68 C64 112.1(3) . . ?
F24 C68 C64 112.7(4) . . ?
F28 C69 F30 103.8(17) . . ?
F28 C69 F29 112.6(19) . . ?
F30 C69 F29 104.7(14) . . ?
F28 C69 F26 129.0(14) . . ?
F30 C69 F26 64.6(10) . . ?
F29 C69 F26 40.9(11) . . ?
F28 C69 F25 44.2(16) . . ?
F30 C69 F25 132.9(10) . . ?
F29 C69 F25 72.4(12) . . ?
F26 C69 F25 105.7(5) . . ?
F28 C69 F27 60.9(16) . . ?
F30 C69 F27 47.1(9) . . ?
F29 C69 F27 137.3(12) . . ?
F26 C69 F27 106.8(6) . . ?
F25 C69 F27 102.7(5) . . ?
F28 C69 C66 116.1(13) . . ?
F30 C69 C66 111.2(10) . . ?
F29 C69 C66 107.9(11) . . ?
F26 C69 C66 114.2(4) . . ?
F25 C69 C66 114.2(4) . . ?
F27 C69 C66 112.3(4) . . ?
F28 F25 C69 61.5(17) . . ?
F28 F25 F29 109(2) . . ?
C69 F25 F29 51.7(9) . . ?
F29 F26 C69 65.9(16) . . ?
F29 F26 F30 120.2(19) . . ?
C69 F26 F30 55.5(8) . . ?
F30 F27 F28 112.6(17) . . ?
F30 F27 C69 62.7(12) . . ?
F28 F27 C69 55.0(12) . . ?
F25 F28 C69 74.2(18) . . ?
F25 F28 F27 134(3) . . ?
C69 F28 F27 64.1(16) . . ?
F26 F29 C69 73.2(16) . . ?
F26 F29 F25 118(2) . . ?
C69 F29 F25 55.8(11) . . ?
F27 F30 C69 70.2(12) . . ?
F27 F30 F26 122.9(18) . . ?
C69 F30 F26 59.9(10) . . ?
C71 C70 C94 121.1(4) . . ?
C71 C70 P2 114.4(3) . . ?
C94 C70 P2 115.6(3) . . ?
C71 C70 Ru2 68.1(2) . . ?
C94 C70 Ru2 122.4(3) . . ?
P2 C70 Ru2 106.2(2) . . ?
C72 C71 C70 117.8(4) . . ?
C72 C71 C95 120.5(4) . . ?
C70 C71 C95 121.4(4) . . ?
C72 C71 Ru2 74.8(3) . . ?
C70 C71 Ru2 72.2(3) . . ?
C95 C71 Ru2 128.5(4) . . ?
C81 C72 C71 121.3(4) . . ?
C81 C72 C73 116.8(4) . . ?
C71 C72 C73 121.4(4) . . ?
C81 C72 Ru2 124.8(3) . . ?
C71 C72 Ru2 66.5(2) . . ?
C73 C72 Ru2 75.8(2) . . ?
C78 C73 C74 116.0(4) . . ?
C78 C73 C72 118.0(4) . . ?
C74 C73 C72 124.5(4) . . ?
C78 C73 Ru2 123.7(3) . . ?
C74 C73 Ru2 92.9(3) . . ?
C72 C73 Ru2 66.9(2) . . ?
C75 C74 C73 122.3(4) . . ?
C75 C74 P2 123.7(3) . . ?
C73 C74 P2 113.9(3) . . ?
C74 C75 C76 119.6(4) . . ?
C77 C76 C75 120.5(4) . . ?
C76 C77 C78 122.3(4) . . ?
C79 C78 C77 121.1(4) . . ?
C79 C78 C73 120.7(4) . . ?
C77 C78 C73 118.2(4) . . ?
C78 C79 C80 120.0(4) . . ?
C81 C80 C79 121.6(4) . . ?
C80 C81 C72 122.6(4) . . ?
C83 C82 C87 120.6(4) . . ?
C83 C82 P2 119.3(3) . . ?
C87 C82 P2 120.0(4) . . ?
C82 C83 C84 119.6(4) . . ?
C85 C84 C83 119.0(5) . . ?
C86 C85 C84 121.6(4) . . ?
C85 C86 C87 119.8(4) . . ?
C82 C87 C86 119.4(5) . . ?
C93 C88 C89 119.5(5) . . ?
C93 C88 P2 120.9(4) . . ?
C89 C88 P2 119.6(4) . . ?
C90 C89 C88 120.2(6) . . ?
C91 C90 C89 119.8(7) . . ?
C92 C91 C90 120.8(6) . . ?
C91 C92 C93 120.9(6) . . ?
C88 C93 C92 118.8(6) . . ?
C101 C96 C97 120.0(4) . . ?
C101 C96 C102 121.3(5) . . ?
C97 C96 C102 118.7(5) . . ?
C101 C96 Ru2 73.0(3) . . ?
C97 C96 Ru2 69.4(3) . . ?
C102 C96 Ru2 130.4(4) . . ?
C98 C97 C96 119.6(5) . . ?
C98 C97 C103 120.0(5) . . ?
C96 C97 C103 120.0(5) . . ?
C98 C97 Ru2 72.0(3) . . ?
C96 C97 Ru2 72.5(3) . . ?
C103 C97 Ru2 133.3(4) . . ?
C99 C98 C97 120.0(5) . . ?
C99 C98 C104 120.4(4) . . ?
C97 C98 C104 119.5(5) . . ?
C99 C98 Ru2 73.1(2) . . ?
C97 C98 Ru2 70.4(2) . . ?
C104 C98 Ru2 130.1(4) . . ?
C98 C99 C100 119.8(4) . . ?
C98 C99 C105 119.3(4) . . ?
C100 C99 C105 120.9(4) . . ?
C98 C99 Ru2 70.2(2) . . ?
C100 C99 Ru2 70.7(2) . . ?
C105 C99 Ru2 130.3(3) . . ?
C101 C100 C99 121.2(4) . . ?
C101 C100 C106 120.5(5) . . ?
C99 C100 C106 118.3(4) . . ?
C101 C100 Ru2 73.1(3) . . ?
C99 C100 Ru2 72.3(3) . . ?
C106 C100 Ru2 129.3(3) . . ?
C96 C101 C100 119.3(5) . . ?
C96 C101 C107 121.7(5) . . ?
C100 C101 C107 119.0(5) . . ?
C96 C101 Ru2 70.5(3) . . ?
C100 C101 Ru2 70.2(3) . . ?
C107 C101 Ru2 133.6(3) . . ?
C124 B2 C116 112.8(3) . . ?
C124 B2 C108 104.2(3) . . ?
C116 B2 C108 113.1(3) . . ?
C124 B2 C132 113.1(3) . . ?
C116 B2 C132 103.5(3) . . ?
C108 B2 C132 110.4(3) . . ?
C113 C108 C109 115.4(4) . . ?
C113 C108 B2 121.1(3) . . ?
C109 C108 B2 123.1(4) . . ?
C110 C109 C108 122.4(4) . . ?
C109 C110 C111 120.9(4) . . ?
C109 C110 C114 120.6(4) . . ?
C111 C110 C114 118.5(4) . . ?
C112 C111 C110 117.6(4) . . ?
C111 C112 C113 121.6(4) . . ?
C111 C112 C115 120.0(4) . . ?
C113 C112 C115 118.4(4) . . ?
C112 C113 C108 122.0(4) . . ?
F31 C114 F32 107.0(4) . . ?
F31 C114 F33 105.4(4) . . ?
F32 C114 F33 104.4(4) . . ?
F31 C114 C110 114.2(4) . . ?
F32 C114 C110 112.7(4) . . ?
F33 C114 C110 112.5(4) . . ?
F35 C115 F34 106.5(4) . . ?
F35 C115 F36 107.6(4) . . ?
F34 C115 F36 104.8(4) . . ?
F35 C115 C112 113.4(4) . . ?
F34 C115 C112 111.6(4) . . ?
F36 C115 C112 112.3(4) . . ?
C117 C116 C121 115.2(4) . . ?
C117 C116 B2 123.5(4) . . ?
C121 C116 B2 120.9(4) . . ?
C118 C117 C116 122.6(4) . . ?
C119 C118 C117 120.6(4) . . ?
C119 C118 C122 119.0(4) . . ?
C117 C118 C122 120.3(4) . . ?
C120 C119 C118 118.1(4) . . ?
C119 C120 C121 120.8(4) . . ?
C119 C120 C123 120.6(4) . . ?
C121 C120 C123 118.6(4) . . ?
C120 C121 C116 122.5(4) . . ?
F37 C122 F39 108.5(6) . . ?
F37 C122 F38 103.8(5) . . ?
F39 C122 F38 102.0(4) . . ?
F37 C122 C118 114.6(4) . . ?
F39 C122 C118 113.7(4) . . ?
F38 C122 C118 113.1(5) . . ?
F40 C123 F42 107.6(4) . . ?
F40 C123 F41 105.4(4) . . ?
F42 C123 F41 104.5(4) . . ?
F40 C123 C120 113.3(4) . . ?
F42 C123 C120 112.9(4) . . ?
F41 C123 C120 112.4(4) . . ?
C125 C124 C129 115.6(4) . . ?
C125 C124 B2 123.7(4) . . ?
C129 C124 B2 120.1(3) . . ?
C124 C125 C126 122.0(4) . . ?
C127 C126 C125 121.3(4) . . ?
C127 C126 C130 119.6(4) . . ?
C125 C126 C130 118.9(4) . . ?
C126 C127 C128 118.0(4) . . ?
C127 C128 C129 120.6(4) . . ?
C127 C128 C131 119.3(4) . . ?
C129 C128 C131 120.1(4) . . ?
C128 C129 C124 122.5(4) . . ?
F44 C130 F43 106.0(4) . . ?
F44 C130 F45 107.2(3) . . ?
F43 C130 F45 105.1(4) . . ?
F44 C130 C126 113.5(4) . . ?
F43 C130 C126 112.6(4) . . ?
F45 C130 C126 111.9(4) . . ?
F51 C131 F50 105.5(11) . . ?
F51 C131 F46 133.6(9) . . ?
F50 C131 F46 48.0(6) . . ?
F51 C131 F49 110.3(11) . . ?
F50 C131 F49 103.9(10) . . ?
F46 C131 F49 58.7(8) . . ?
F51 C131 F48 63.2(9) . . ?
F50 C131 F48 134.4(7) . . ?
F46 C131 F48 105.6(6) . . ?
F49 C131 F48 51.1(7) . . ?
F51 C131 F47 43.8(8) . . ?
F50 C131 F47 64.4(7) . . ?
F46 C131 F47 107.2(6) . . ?
F49 C131 F47 133.0(8) . . ?
F48 C131 F47 102.8(5) . . ?
F51 C131 C128 112.2(9) . . ?
F50 C131 C128 111.3(7) . . ?
F46 C131 C128 113.2(4) . . ?
F49 C131 C128 113.0(7) . . ?
F48 C131 C128 113.7(4) . . ?
F47 C131 C128 113.5(4) . . ?
F50 F46 F49 121.1(12) . . ?
F50 F46 C131 64.3(8) . . ?
F49 F46 C131 60.8(7) . . ?
F51 F47 C131 64.2(11) . . ?
F51 F47 F50 116.5(13) . . ?
C131 F47 F50 55.7(6) . . ?
F49 F48 C131 63.6(8) . . ?
F49 F48 F51 115.0(11) . . ?
C131 F48 F51 56.0(7) . . ?
F48 F49 F46 120.0(13) . . ?
F48 F49 C131 65.3(9) . . ?
F46 F49 C131 60.4(7) . . ?
F46 F50 C131 67.7(8) . . ?
F46 F50 F47 120.6(13) . . ?
C131 F50 F47 60.0(7) . . ?
F47 F51 C131 72.0(12) . . ?
F47 F51 F48 125.8(17) . . ?
C131 F51 F48 60.8(9) . . ?
C133 C132 C137 116.0(3) . . ?
C133 C132 B2 125.4(3) . . ?
C137 C132 B2 118.4(4) . . ?
C132 C133 C134 122.6(4) . . ?
C135 C134 C133 120.4(4) . . ?
C135 C134 C138 119.8(4) . . ?
C133 C134 C138 119.8(4) . . ?
C136 C135 C134 118.1(4) . . ?
C135 C136 C137 120.7(4) . . ?
C135 C136 C139 119.8(4) . . ?
C137 C136 C139 119.5(4) . . ?
C136 C137 C132 122.3(4) . . ?
F53 C138 F52 105.9(5) . . ?
F53 C138 F54 107.2(4) . . ?
F52 C138 F54 104.1(5) . . ?
F53 C138 C134 112.4(5) . . ?
F52 C138 C134 114.0(4) . . ?
F54 C138 C134 112.6(4) . . ?
F55 C139 F56 109.7(5) . . ?
F55 C139 F57 104.1(5) . . ?
F56 C139 F57 101.7(5) . . ?
F55 C139 C136 114.7(4) . . ?
F56 C139 C136 113.4(5) . . ?
F57 C139 C136 112.2(4) . . ?

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
C5 P1 C1 C2 -48.0(4) . . . . ?
C19 P1 C1 C2 72.8(4) . . . . ?
C13 P1 C1 C2 -167.3(3) . . . . ?
C5 P1 C1 C25 166.3(3) . . . . ?
C19 P1 C1 C25 -72.9(4) . . . . ?
C13 P1 C1 C25 47.0(4) . . . . ?
C5 P1 C1 Ru1 25.2(2) . . . . ?
C19 P1 C1 Ru1 146.04(18) . . . . ?
C13 P1 C1 Ru1 -94.0(2) . . . . ?
C25 C1 C2 C3 179.3(4) . . . . ?
P1 C1 C2 C3 35.9(5) . . . . ?
Ru1 C1 C2 C3 -61.5(4) . . . . ?
C25 C1 C2 C26 3.7(6) . . . . ?
P1 C1 C2 C26 -139.6(4) . . . . ?
Ru1 C1 C2 C26 123.0(4) . . . . ?
C25 C1 C2 Ru1 -119.2(4) . . . . ?
P1 C1 C2 Ru1 97.4(3) . . . . ?
C1 C2 C3 C12 177.8(4) . . . . ?
C26 C2 C3 C12 -6.6(6) . . . . ?
Ru1 C2 C3 C12 118.3(4) . . . . ?
C1 C2 C3 C4 4.2(6) . . . . ?
C26 C2 C3 C4 179.8(4) . . . . ?
Ru1 C2 C3 C4 -55.4(4) . . . . ?
C1 C2 C3 Ru1 59.6(3) . . . . ?
C26 C2 C3 Ru1 -124.9(4) . . . . ?
C2 C3 C4 C5 -28.7(6) . . . . ?
C12 C3 C4 C5 157.4(4) . . . . ?
Ru1 C3 C4 C5 -79.5(4) . . . . ?
C2 C3 C4 C9 166.1(4) . . . . ?
C12 C3 C4 C9 -7.8(6) . . . . ?
Ru1 C3 C4 C9 115.4(4) . . . . ?
C2 C3 C4 Ru1 50.7(3) . . . . ?
C12 C3 C4 Ru1 -123.2(4) . . . . ?
C9 C4 C5 C6 -5.3(6) . . . . ?
C3 C4 C5 C6 -170.8(4) . . . . ?
Ru1 C4 C5 C6 124.5(4) . . . . ?
C9 C4 C5 P1 173.6(3) . . . . ?
C3 C4 C5 P1 8.1(5) . . . . ?
Ru1 C4 C5 P1 -56.6(3) . . . . ?
C1 P1 C5 C6 -155.4(4) . . . . ?
C19 P1 C5 C6 81.8(4) . . . . ?
C13 P1 C5 C6 -37.2(4) . . . . ?
C1 P1 C5 C4 25.6(3) . . . . ?
C19 P1 C5 C4 -97.2(3) . . . . ?
C13 P1 C5 C4 143.9(3) . . . . ?
C4 C5 C6 C7 -2.1(6) . . . . ?
P1 C5 C6 C7 179.0(3) . . . . ?
C5 C6 C7 C8 4.4(7) . . . . ?
C6 C7 C8 C9 1.4(7) . . . . ?
C7 C8 C9 C10 165.6(5) . . . . ?
C7 C8 C9 C4 -9.1(7) . . . . ?
C5 C4 C9 C10 -164.1(4) . . . . ?
C3 C4 C9 C10 2.3(6) . . . . ?
Ru1 C4 C9 C10 80.9(5) . . . . ?
C5 C4 C9 C8 10.6(6) . . . . ?
C3 C4 C9 C8 177.0(4) . . . . ?
Ru1 C4 C9 C8 -104.4(4) . . . . ?
C8 C9 C10 C11 -169.8(5) . . . . ?
C4 C9 C10 C11 4.8(7) . . . . ?
C9 C10 C11 C12 -6.0(8) . . . . ?
C10 C11 C12 C3 -0.1(8) . . . . ?
C2 C3 C12 C11 -167.0(4) . . . . ?
C4 C3 C12 C11 6.9(7) . . . . ?
Ru1 C3 C12 C11 -85.3(5) . . . . ?
C5 P1 C13 C14 -21.4(4) . . . . ?
C1 P1 C13 C14 91.9(4) . . . . ?
C19 P1 C13 C14 -143.4(4) . . . . ?
C5 P1 C13 C18 161.8(3) . . . . ?
C1 P1 C13 C18 -84.9(4) . . . . ?
C19 P1 C13 C18 39.8(4) . . . . ?
C18 C13 C14 C15 -0.2(7) . . . . ?
P1 C13 C14 C15 -177.0(4) . . . . ?
C13 C14 C15 C16 0.4(7) . . . . ?
C14 C15 C16 C17 0.4(8) . . . . ?
C15 C16 C17 C18 -1.4(8) . . . . ?
C16 C17 C18 C13 1.5(7) . . . . ?
C14 C13 C18 C17 -0.7(7) . . . . ?
P1 C13 C18 C17 176.1(4) . . . . ?
C5 P1 C19 C24 98.5(4) . . . . ?
C1 P1 C19 C24 -17.0(4) . . . . ?
C13 P1 C19 C24 -139.2(4) . . . . ?
C5 P1 C19 C20 -79.7(4) . . . . ?
C1 P1 C19 C20 164.7(3) . . . . ?
C13 P1 C19 C20 42.5(4) . . . . ?
C24 C19 C20 C21 0.5(7) . . . . ?
P1 C19 C20 C21 178.8(3) . . . . ?
C19 C20 C21 C22 0.0(7) . . . . ?
C20 C21 C22 C23 -1.7(7) . . . . ?
C21 C22 C23 C24 2.8(7) . . . . ?
C20 C19 C24 C23 0.6(7) . . . . ?
P1 C19 C24 C23 -177.7(4) . . . . ?
C22 C23 C24 C19 -2.3(7) . . . . ?
C32 C27 C28 C29 1.5(6) . . . . ?
C33 C27 C28 C29 -177.3(4) . . . . ?
Ru1 C27 C28 C29 57.0(4) . . . . ?
C32 C27 C28 C34 176.1(4) . . . . ?
C33 C27 C28 C34 -2.7(7) . . . . ?
Ru1 C27 C28 C34 -128.4(5) . . . . ?
C32 C27 C28 Ru1 -55.5(4) . . . . ?
C33 C27 C28 Ru1 125.7(4) . . . . ?
C27 C28 C29 C30 -1.0(7) . . . . ?
C34 C28 C29 C30 -175.8(4) . . . . ?
Ru1 C28 C29 C30 56.0(4) . . . . ?
C27 C28 C29 C35 177.7(4) . . . . ?
C34 C28 C29 C35 2.9(7) . . . . ?
Ru1 C28 C29 C35 -125.3(4) . . . . ?
C27 C28 C29 Ru1 -57.0(4) . . . . ?
C34 C28 C29 Ru1 128.2(4) . . . . ?
C28 C29 C30 C31 -2.3(7) . . . . ?
C35 C29 C30 C31 179.0(4) . . . . ?
Ru1 C29 C30 C31 51.8(4) . . . . ?
C28 C29 C30 C36 178.5(4) . . . . ?
C35 C29 C30 C36 -0.3(7) . . . . ?
Ru1 C29 C30 C36 -127.5(4) . . . . ?
C28 C29 C30 Ru1 -54.1(4) . . . . ?
C35 C29 C30 Ru1 127.2(4) . . . . ?
C29 C30 C31 C32 5.4(7) . . . . ?
C36 C30 C31 C32 -175.4(4) . . . . ?
Ru1 C30 C31 C32 57.1(4) . . . . ?
C29 C30 C31 C37 -178.4(4) . . . . ?
C36 C30 C31 C37 0.8(7) . . . . ?
Ru1 C30 C31 C37 -126.7(4) . . . . ?
C29 C30 C31 Ru1 -51.7(4) . . . . ?
C36 C30 C31 Ru1 127.5(4) . . . . ?
C30 C31 C32 C27 -5.0(7) . . . . ?
C37 C31 C32 C27 178.8(4) . . . . ?
Ru1 C31 C32 C27 52.2(4) . . . . ?
C30 C31 C32 C140 171.9(4) . . . . ?
C37 C31 C32 C140 -4.3(6) . . . . ?
Ru1 C31 C32 C140 -130.9(4) . . . . ?
C30 C31 C32 Ru1 -57.1(4) . . . . ?
C37 C31 C32 Ru1 126.6(4) . . . . ?
C28 C27 C32 C31 1.5(6) . . . . ?
C33 C27 C32 C31 -179.7(4) . . . . ?
Ru1 C27 C32 C31 -52.4(4) . . . . ?
C28 C27 C32 C140 -175.3(4) . . . . ?
C33 C27 C32 C140 3.4(7) . . . . ?
Ru1 C27 C32 C140 130.8(4) . . . . ?
C28 C27 C32 Ru1 53.9(4) . . . . ?
C33 C27 C32 Ru1 -127.4(4) . . . . ?
C46 B1 C38 C39 -100.9(4) . . . . ?
C62 B1 C38 C39 23.6(5) . . . . ?
C54 B1 C38 C39 138.9(4) . . . . ?
C46 B1 C38 C43 72.1(4) . . . . ?
C62 B1 C38 C43 -163.3(3) . . . . ?
C54 B1 C38 C43 -48.1(5) . . . . ?
C43 C38 C39 C40 2.8(5) . . . . ?
B1 C38 C39 C40 176.3(4) . . . . ?
C38 C39 C40 C41 -3.1(6) . . . . ?
C38 C39 C40 C44 -179.9(4) . . . . ?
C39 C40 C41 C42 0.6(6) . . . . ?
C44 C40 C41 C42 177.4(4) . . . . ?
C40 C41 C42 C43 2.0(6) . . . . ?
C40 C41 C42 C45 178.9(4) . . . . ?
C41 C42 C43 C38 -2.3(6) . . . . ?
C45 C42 C43 C38 -179.1(4) . . . . ?
C39 C38 C43 C42 -0.2(6) . . . . ?
B1 C38 C43 C42 -173.8(4) . . . . ?
C41 C40 C44 F3 31.5(6) . . . . ?
C39 C40 C44 F3 -151.7(4) . . . . ?
C41 C40 C44 F1 -88.1(5) . . . . ?
C39 C40 C44 F1 88.8(5) . . . . ?
C41 C40 C44 F2 152.7(4) . . . . ?
C39 C40 C44 F2 -30.4(6) . . . . ?
C43 C42 C45 F5 82.7(6) . . . . ?
C41 C42 C45 F5 -94.2(5) . . . . ?
C43 C42 C45 F4 -149.0(4) . . . . ?
C41 C42 C45 F4 34.1(6) . . . . ?
C43 C42 C45 F6 -34.5(5) . . . . ?
C41 C42 C45 F6 148.6(4) . . . . ?
C38 B1 C46 C51 -84.3(4) . . . . ?
C62 B1 C46 C51 151.3(4) . . . . ?
C54 B1 C46 C51 36.7(5) . . . . ?
C38 B1 C46 C47 88.3(4) . . . . ?
C62 B1 C46 C47 -36.1(5) . . . . ?
C54 B1 C46 C47 -150.7(4) . . . . ?
C51 C46 C47 C48 -1.7(6) . . . . ?
B1 C46 C47 C48 -174.7(4) . . . . ?
C46 C47 C48 C49 2.7(6) . . . . ?
C46 C47 C48 C52 -179.3(4) . . . . ?
C47 C48 C49 C50 -1.2(6) . . . . ?
C52 C48 C49 C50 -179.1(4) . . . . ?
C48 C49 C50 C51 -1.2(7) . . . . ?
C48 C49 C50 C53 179.2(4) . . . . ?
C49 C50 C51 C46 2.1(7) . . . . ?
C53 C50 C51 C46 -178.3(4) . . . . ?
C47 C46 C51 C50 -0.7(6) . . . . ?
B1 C46 C51 C50 172.4(4) . . . . ?
C49 C48 C52 F7 -160.8(4) . . . . ?
C47 C48 C52 F7 21.2(6) . . . . ?
C49 C48 C52 F9 -38.9(6) . . . . ?
C47 C48 C52 F9 143.1(4) . . . . ?
C49 C48 C52 F8 78.1(6) . . . . ?
C47 C48 C52 F8 -99.9(5) . . . . ?
C49 C50 C53 F10 -162.8(4) . . . . ?
C51 C50 C53 F10 17.6(6) . . . . ?
C49 C50 C53 F11 -41.9(6) . . . . ?
C51 C50 C53 F11 138.5(4) . . . . ?
C49 C50 C53 F12 75.5(5) . . . . ?
C51 C50 C53 F12 -104.1(5) . . . . ?
C46 B1 C54 C59 -144.1(4) . . . . ?
C38 B1 C54 C59 -27.5(5) . . . . ?
C62 B1 C54 C59 94.4(4) . . . . ?
C46 B1 C54 C55 44.7(5) . . . . ?
C38 B1 C54 C55 161.4(3) . . . . ?
C62 B1 C54 C55 -76.8(4) . . . . ?
C59 C54 C55 C56 -1.3(6) . . . . ?
B1 C54 C55 C56 170.5(4) . . . . ?
C54 C55 C56 C57 1.3(6) . . . . ?
C54 C55 C56 C60 -179.3(4) . . . . ?
C55 C56 C57 C58 0.0(6) . . . . ?
C60 C56 C57 C58 -179.4(4) . . . . ?
C56 C57 C58 C59 -1.2(6) . . . . ?
C56 C57 C58 C61 -179.1(4) . . . . ?
C57 C58 C59 C54 1.2(6) . . . . ?
C61 C58 C59 C54 179.1(4) . . . . ?
C55 C54 C59 C58 0.1(6) . . . . ?
B1 C54 C59 C58 -171.5(4) . . . . ?
C55 C56 C60 F17 -29.3(16) . . . . ?
C57 C56 C60 F17 150.2(15) . . . . ?
C55 C56 C60 F18 -155.6(11) . . . . ?
C57 C56 C60 F18 23.9(12) . . . . ?
C55 C56 C60 F15 152.2(7) . . . . ?
C57 C56 C60 F15 -28.4(9) . . . . ?
C55 C56 C60 F13 21.8(7) . . . . ?
C57 C56 C60 F13 -158.8(5) . . . . ?
C55 C56 C60 F14 -90.1(6) . . . . ?
C57 C56 C60 F14 89.3(6) . . . . ?
C55 C56 C60 F16 88.1(10) . . . . ?
C57 C56 C60 F16 -92.5(10) . . . . ?
F18 C60 F13 F17 80(2) . . . . ?
F15 C60 F13 F17 130.4(16) . . . . ?
F14 C60 F13 F17 20.3(15) . . . . ?
F16 C60 F13 F17 166.4(17) . . . . ?
C56 C60 F13 F17 -97.3(15) . . . . ?
F17 C60 F13 F16 -166.4(17) . . . . ?
F18 C60 F13 F16 -86.8(15) . . . . ?
F15 C60 F13 F16 -36.0(9) . . . . ?
F14 C60 F13 F16 -146.1(9) . . . . ?
C56 C60 F13 F16 96.3(9) . . . . ?
F18 C60 F14 F17 -148.0(17) . . . . ?
F15 C60 F14 F17 -132.3(14) . . . . ?
F13 C60 F14 F17 -17.6(13) . . . . ?
F16 C60 F14 F17 -73(2) . . . . ?
C56 C60 F14 F17 104.0(13) . . . . ?
F17 C60 F14 F18 148.0(17) . . . . ?
F15 C60 F14 F18 15.7(11) . . . . ?
F13 C60 F14 F18 130.4(10) . . . . ?
F16 C60 F14 F18 74.9(18) . . . . ?
C56 C60 F14 F18 -108.0(10) . . . . ?
F17 C60 F15 F18 -76(2) . . . . ?
F13 C60 F15 F18 -125.6(13) . . . . ?
F14 C60 F15 F18 -18.7(13) . . . . ?
F16 C60 F15 F18 -162.4(16) . . . . ?
C56 C60 F15 F18 101.9(13) . . . . ?
F17 C60 F15 F16 86(2) . . . . ?
F18 C60 F15 F16 162.4(16) . . . . ?
F13 C60 F15 F16 36.8(9) . . . . ?
F14 C60 F15 F16 143.7(10) . . . . ?
C56 C60 F15 F16 -95.8(10) . . . . ?
F18 F15 F16 C60 18.2(16) . . . . ?
F18 F15 F16 F13 -15(2) . . . . ?
C60 F15 F16 F13 -33.2(7) . . . . ?
F17 C60 F16 F15 -130.2(13) . . . . ?
F18 C60 F16 F15 -13.3(12) . . . . ?
F13 C60 F16 F15 -140.5(9) . . . . ?
F14 C60 F16 F15 -73.6(15) . . . . ?
C56 C60 F16 F15 109.3(6) . . . . ?
F17 C60 F16 F13 10.3(13) . . . . ?
F18 C60 F16 F13 127.2(10) . . . . ?
F15 C60 F16 F13 140.5(9) . . . . ?
F14 C60 F16 F13 67.0(15) . . . . ?
C56 C60 F16 F13 -110.2(6) . . . . ?
F17 F13 F16 F15 20(2) . . . . ?
C60 F13 F16 F15 33.0(7) . . . . ?
F17 F13 F16 C60 -13.4(17) . . . . ?
F16 F13 F17 C60 13.7(17) . . . . ?
C60 F13 F17 F14 -34(2) . . . . ?
F16 F13 F17 F14 -21(4) . . . . ?
F18 C60 F17 F13 -126.5(13) . . . . ?
F15 C60 F17 F13 -77(2) . . . . ?
F14 C60 F17 F13 -155.7(17) . . . . ?
F16 C60 F17 F13 -12.5(16) . . . . ?
C56 C60 F17 F13 104.5(11) . . . . ?
F18 C60 F17 F14 29.2(15) . . . . ?
F15 C60 F17 F14 78.4(19) . . . . ?
F13 C60 F17 F14 155.7(17) . . . . ?
F16 C60 F17 F14 143.2(10) . . . . ?
C56 C60 F17 F14 -99.8(9) . . . . ?
F18 F14 F17 F13 10(3) . . . . ?
C60 F14 F17 F13 35(3) . . . . ?
F18 F14 F17 C60 -25.3(13) . . . . ?
F16 F15 F18 C60 -18.7(16) . . . . ?
C60 F15 F18 F14 27.5(17) . . . . ?
F16 F15 F18 F14 9(3) . . . . ?
F17 C60 F18 F15 131.1(15) . . . . ?
F13 C60 F18 F15 81.7(15) . . . . ?
F14 C60 F18 F15 159.1(14) . . . . ?
F16 C60 F18 F15 15.8(14) . . . . ?
C56 C60 F18 F15 -101.4(10) . . . . ?
F17 C60 F18 F14 -28.0(15) . . . . ?
F15 C60 F18 F14 -159.1(14) . . . . ?
F13 C60 F18 F14 -77.4(12) . . . . ?
F16 C60 F18 F14 -143.3(9) . . . . ?
C56 C60 F18 F14 99.5(8) . . . . ?
F17 F14 F18 F15 -3(3) . . . . ?
C60 F14 F18 F15 -28.4(18) . . . . ?
F17 F14 F18 C60 25.7(14) . . . . ?
C57 C58 C61 F19 -145.3(4) . . . . ?
C59 C58 C61 F19 36.8(6) . . . . ?
C57 C58 C61 F20 93.8(5) . . . . ?
C59 C58 C61 F20 -84.1(5) . . . . ?
C57 C58 C61 F21 -24.6(6) . . . . ?
C59 C58 C61 F21 157.5(4) . . . . ?
C46 B1 C62 C67 -26.7(5) . . . . ?
C38 B1 C62 C67 -146.3(4) . . . . ?
C54 B1 C62 C67 92.9(4) . . . . ?
C46 B1 C62 C63 159.4(3) . . . . ?
C38 B1 C62 C63 39.8(5) . . . . ?
C54 B1 C62 C63 -81.0(4) . . . . ?
C67 C62 C63 C64 0.8(5) . . . . ?
B1 C62 C63 C64 175.1(3) . . . . ?
C62 C63 C64 C65 0.2(6) . . . . ?
C62 C63 C64 C68 178.9(3) . . . . ?
C63 C64 C65 C66 -0.7(6) . . . . ?
C68 C64 C65 C66 -179.4(4) . . . . ?
C64 C65 C66 C67 0.2(6) . . . . ?
C64 C65 C66 C69 -178.3(4) . . . . ?
C65 C66 C67 C62 0.8(6) . . . . ?
C69 C66 C67 C62 179.3(4) . . . . ?
C63 C62 C67 C66 -1.3(5) . . . . ?
B1 C62 C67 C66 -175.4(3) . . . . ?
C65 C64 C68 F22 -167.4(4) . . . . ?
C63 C64 C68 F22 13.9(6) . . . . ?
C65 C64 C68 F23 70.7(5) . . . . ?
C63 C64 C68 F23 -108.0(5) . . . . ?
C65 C64 C68 F24 -48.2(5) . . . . ?
C63 C64 C68 F24 133.1(4) . . . . ?
C65 C66 C69 F28 15(2) . . . . ?
C67 C66 C69 F28 -164(2) . . . . ?
C65 C66 C69 F30 133.0(13) . . . . ?
C67 C66 C69 F30 -45.5(13) . . . . ?
C65 C66 C69 F29 -112.7(14) . . . . ?
C67 C66 C69 F29 68.7(14) . . . . ?
C65 C66 C69 F26 -156.2(6) . . . . ?
C67 C66 C69 F26 25.2(8) . . . . ?
C65 C66 C69 F25 -34.4(6) . . . . ?
C67 C66 C69 F25 147.0(5) . . . . ?
C65 C66 C69 F27 82.1(7) . . . . ?
C67 C66 C69 F27 -96.5(7) . . . . ?
F30 C69 F25 F28 -61(2) . . . . ?
F29 C69 F25 F28 -155(2) . . . . ?
F26 C69 F25 F28 -130.4(19) . . . . ?
F27 C69 F25 F28 -18.7(19) . . . . ?
C66 C69 F25 F28 103.2(19) . . . . ?
F28 C69 F25 F29 155(2) . . . . ?
F30 C69 F25 F29 93.9(18) . . . . ?
F26 C69 F25 F29 24.2(12) . . . . ?
F27 C69 F25 F29 135.9(12) . . . . ?
C66 C69 F25 F29 -102.2(12) . . . . ?
F28 C69 F26 F29 -80(3) . . . . ?
F30 C69 F26 F29 -167(2) . . . . ?
F25 C69 F26 F29 -36.6(18) . . . . ?
F27 C69 F26 F29 -145.5(18) . . . . ?
C66 C69 F26 F29 89.7(18) . . . . ?
F28 C69 F26 F30 87(2) . . . . ?
F29 C69 F26 F30 167(2) . . . . ?
F25 C69 F26 F30 130.5(11) . . . . ?
F27 C69 F26 F30 21.6(11) . . . . ?
C66 C69 F26 F30 -103.1(11) . . . . ?
F28 C69 F27 F30 -153(2) . . . . ?
F29 C69 F27 F30 -60(2) . . . . ?
F26 C69 F27 F30 -27.1(14) . . . . ?
F25 C69 F27 F30 -138.0(14) . . . . ?
C66 C69 F27 F30 98.8(14) . . . . ?
F30 C69 F27 F28 153(2) . . . . ?
F29 C69 F27 F28 93(2) . . . . ?
F26 C69 F27 F28 125.7(16) . . . . ?
F25 C69 F27 F28 14.8(15) . . . . ?
C66 C69 F27 F28 -108.4(15) . . . . ?
F29 F25 F28 C69 -20.9(18) . . . . ?
C69 F25 F28 F27 26(3) . . . . ?
F29 F25 F28 F27 5(4) . . . . ?
F30 C69 F28 F25 138.9(15) . . . . ?
F29 C69 F28 F25 26(2) . . . . ?
F26 C69 F28 F25 71(2) . . . . ?
F27 C69 F28 F25 159(2) . . . . ?
C66 C69 F28 F25 -98.7(15) . . . . ?
F30 C69 F28 F27 -20.2(15) . . . . ?
F29 C69 F28 F27 -132.8(14) . . . . ?
F26 C69 F28 F27 -88.5(18) . . . . ?
F25 C69 F28 F27 -159(2) . . . . ?
C66 C69 F28 F27 102.2(10) . . . . ?
F30 F27 F28 F25 -2(4) . . . . ?
C69 F27 F28 F25 -28(3) . . . . ?
F30 F27 F28 C69 26.1(19) . . . . ?
F30 F26 F29 C69 -12(2) . . . . ?
C69 F26 F29 F25 34.4(15) . . . . ?
F30 F26 F29 F25 22(3) . . . . ?
F28 C69 F29 F26 124.0(19) . . . . ?
F30 C69 F29 F26 12.0(19) . . . . ?
F25 C69 F29 F26 143.0(17) . . . . ?
F27 C69 F29 F26 53(2) . . . . ?
C66 C69 F29 F26 -106.6(14) . . . . ?
F28 C69 F29 F25 -18.9(17) . . . . ?
F30 C69 F29 F25 -131.0(11) . . . . ?
F26 C69 F29 F25 -143.0(17) . . . . ?
F27 C69 F29 F25 -89.9(15) . . . . ?
C66 C69 F29 F25 110.5(6) . . . . ?
F28 F25 F29 F26 -17(3) . . . . ?
C69 F25 F29 F26 -40.8(19) . . . . ?
F28 F25 F29 C69 24(2) . . . . ?
F28 F27 F30 C69 -23.9(18) . . . . ?
F28 F27 F30 F26 6(3) . . . . ?
C69 F27 F30 F26 29.8(14) . . . . ?
F28 C69 F30 F27 24.3(19) . . . . ?
F29 C69 F30 F27 142.5(14) . . . . ?
F26 C69 F30 F27 151.2(14) . . . . ?
F25 C69 F30 F27 63.0(17) . . . . ?
C66 C69 F30 F27 -101.2(10) . . . . ?
F28 C69 F30 F26 -126.9(15) . . . . ?
F29 C69 F30 F26 -8.7(14) . . . . ?
F25 C69 F30 F26 -88.2(13) . . . . ?
F27 C69 F30 F26 -151.2(14) . . . . ?
C66 C69 F30 F26 107.6(7) . . . . ?
F29 F26 F30 F27 -19(3) . . . . ?
C69 F26 F30 F27 -32.7(15) . . . . ?
F29 F26 F30 C69 14(2) . . . . ?
C74 P2 C70 C71 -55.3(4) . . . . ?
C82 P2 C70 C71 -175.2(3) . . . . ?
C88 P2 C70 C71 60.3(4) . . . . ?
C74 P2 C70 C94 156.9(4) . . . . ?
C82 P2 C70 C94 37.1(5) . . . . ?
C88 P2 C70 C94 -87.4(4) . . . . ?
C74 P2 C70 Ru2 17.6(3) . . . . ?
C82 P2 C70 Ru2 -102.3(2) . . . . ?
C88 P2 C70 Ru2 133.2(2) . . . . ?
C94 C70 C71 C72 -176.9(4) . . . . ?
P2 C70 C71 C72 37.2(5) . . . . ?
Ru2 C70 C71 C72 -61.3(4) . . . . ?
C94 C70 C71 C95 9.2(7) . . . . ?
P2 C70 C71 C95 -136.6(4) . . . . ?
Ru2 C70 C71 C95 124.8(5) . . . . ?
C94 C70 C71 Ru2 -115.6(5) . . . . ?
P2 C70 C71 Ru2 98.5(3) . . . . ?
C70 C71 C72 C81 177.6(4) . . . . ?
C95 C71 C72 C81 -8.5(7) . . . . ?
Ru2 C71 C72 C81 117.6(4) . . . . ?
C70 C71 C72 C73 5.4(6) . . . . ?
C95 C71 C72 C73 179.3(4) . . . . ?
Ru2 C71 C72 C73 -54.6(4) . . . . ?
C70 C71 C72 Ru2 60.0(4) . . . . ?
C95 C71 C72 Ru2 -126.1(5) . . . . ?
C81 C72 C73 C78 -5.0(6) . . . . ?
C71 C72 C73 C78 167.6(4) . . . . ?
Ru2 C72 C73 C78 117.2(3) . . . . ?
C81 C72 C73 C74 160.9(4) . . . . ?
C71 C72 C73 C74 -26.6(6) . . . . ?
Ru2 C72 C73 C74 -77.0(4) . . . . ?
C81 C72 C73 Ru2 -122.1(4) . . . . ?
C71 C72 C73 Ru2 50.4(4) . . . . ?
C78 C73 C74 C75 -9.9(6) . . . . ?
C72 C73 C74 C75 -176.0(4) . . . . ?
Ru2 C73 C74 C75 120.2(4) . . . . ?
C78 C73 C74 P2 166.1(3) . . . . ?
C72 C73 C74 P2 0.0(5) . . . . ?
Ru2 C73 C74 P2 -63.9(3) . . . . ?
C70 P2 C74 C75 -148.5(4) . . . . ?
C82 P2 C74 C75 -28.3(4) . . . . ?
C88 P2 C74 C75 91.4(4) . . . . ?
C70 P2 C74 C73 35.6(4) . . . . ?
C82 P2 C74 C73 155.8(3) . . . . ?
C88 P2 C74 C73 -84.5(3) . . . . ?
C73 C74 C75 C76 2.5(7) . . . . ?
P2 C74 C75 C76 -173.1(4) . . . . ?
C74 C75 C76 C77 3.2(7) . . . . ?
C75 C76 C77 C78 -1.0(7) . . . . ?
C76 C77 C78 C79 171.3(4) . . . . ?
C76 C77 C78 C73 -6.8(7) . . . . ?
C74 C73 C78 C79 -166.4(4) . . . . ?
C72 C73 C78 C79 0.6(6) . . . . ?
Ru2 C73 C78 C79 80.4(5) . . . . ?
C74 C73 C78 C77 11.7(6) . . . . ?
C72 C73 C78 C77 178.7(4) . . . . ?
Ru2 C73 C78 C77 -101.6(4) . . . . ?
C77 C78 C79 C80 -174.4(4) . . . . ?
C73 C78 C79 C80 3.6(6) . . . . ?
C78 C79 C80 C81 -3.3(7) . . . . ?
C79 C80 C81 C72 -1.4(7) . . . . ?
C71 C72 C81 C80 -167.1(4) . . . . ?
C73 C72 C81 C80 5.5(6) . . . . ?
Ru2 C72 C81 C80 -85.5(5) . . . . ?
C74 P2 C82 C83 -40.9(4) . . . . ?
C70 P2 C82 C83 73.2(4) . . . . ?
C88 P2 C82 C83 -159.8(4) . . . . ?
C74 P2 C82 C87 141.7(4) . . . . ?
C70 P2 C82 C87 -104.2(4) . . . . ?
C88 P2 C82 C87 22.9(4) . . . . ?
C87 C82 C83 C84 -0.7(7) . . . . ?
P2 C82 C83 C84 -178.1(4) . . . . ?
C82 C83 C84 C85 1.8(8) . . . . ?
C83 C84 C85 C86 -1.4(8) . . . . ?
C84 C85 C86 C87 0.0(7) . . . . ?
C83 C82 C87 C86 -0.7(7) . . . . ?
P2 C82 C87 C86 176.6(3) . . . . ?
C85 C86 C87 C82 1.0(7) . . . . ?
C74 P2 C88 C93 143.7(4) . . . . ?
C70 P2 C88 C93 31.2(4) . . . . ?
C82 P2 C88 C93 -94.9(4) . . . . ?
C74 P2 C88 C89 -32.9(4) . . . . ?
C70 P2 C88 C89 -145.4(3) . . . . ?
C82 P2 C88 C89 88.5(4) . . . . ?
C93 C88 C89 C90 0.1(7) . . . . ?
P2 C88 C89 C90 176.7(4) . . . . ?
C88 C89 C90 C91 0.1(8) . . . . ?
C89 C90 C91 C92 0.8(9) . . . . ?
C90 C91 C92 C93 -2.1(9) . . . . ?
C89 C88 C93 C92 -1.3(7) . . . . ?
P2 C88 C93 C92 -177.9(4) . . . . ?
C91 C92 C93 C88 2.3(8) . . . . ?
C101 C96 C97 C98 1.7(8) . . . . ?
C102 C96 C97 C98 -177.9(5) . . . . ?
Ru2 C96 C97 C98 56.5(4) . . . . ?
C101 C96 C97 C103 174.8(5) . . . . ?
C102 C96 C97 C103 -4.8(8) . . . . ?
Ru2 C96 C97 C103 -130.4(5) . . . . ?
C101 C96 C97 Ru2 -54.7(4) . . . . ?
C102 C96 C97 Ru2 125.6(5) . . . . ?
C96 C97 C98 C99 -1.0(7) . . . . ?
C103 C97 C98 C99 -174.1(5) . . . . ?
Ru2 C97 C98 C99 55.8(4) . . . . ?
C96 C97 C98 C104 177.5(5) . . . . ?
C103 C97 C98 C104 4.4(8) . . . . ?
Ru2 C97 C98 C104 -125.8(5) . . . . ?
C96 C97 C98 Ru2 -56.7(4) . . . . ?
C103 C97 C98 Ru2 130.1(6) . . . . ?
C97 C98 C99 C100 -2.1(7) . . . . ?
C104 C98 C99 C100 179.5(4) . . . . ?
Ru2 C98 C99 C100 52.4(4) . . . . ?
C97 C98 C99 C105 179.6(4) . . . . ?
C104 C98 C99 C105 1.2(7) . . . . ?
Ru2 C98 C99 C105 -125.9(4) . . . . ?
C97 C98 C99 Ru2 -54.5(4) . . . . ?
C104 C98 C99 Ru2 127.1(5) . . . . ?
C98 C99 C100 C101 4.5(7) . . . . ?
C105 C99 C100 C101 -177.2(4) . . . . ?
Ru2 C99 C100 C101 56.7(4) . . . . ?
C98 C99 C100 C106 -177.9(4) . . . . ?
C105 C99 C100 C106 0.4(6) . . . . ?
Ru2 C99 C100 C106 -125.7(4) . . . . ?
C98 C99 C100 Ru2 -52.1(4) . . . . ?
C105 C99 C100 Ru2 126.1(4) . . . . ?
C97 C96 C101 C100 0.6(7) . . . . ?
C102 C96 C101 C100 -179.8(5) . . . . ?
Ru2 C96 C101 C100 -52.4(4) . . . . ?
C97 C96 C101 C107 -177.0(5) . . . . ?
C102 C96 C101 C107 2.5(8) . . . . ?
Ru2 C96 C101 C107 129.9(4) . . . . ?
C97 C96 C101 Ru2 53.0(4) . . . . ?
C102 C96 C101 Ru2 -127.4(5) . . . . ?
C99 C100 C101 C96 -3.8(7) . . . . ?
C106 C100 C101 C96 178.7(4) . . . . ?
Ru2 C100 C101 C96 52.5(4) . . . . ?
C99 C100 C101 C107 174.0(4) . . . . ?
C106 C100 C101 C107 -3.6(7) . . . . ?
Ru2 C100 C101 C107 -129.7(4) . . . . ?
C99 C100 C101 Ru2 -56.3(4) . . . . ?
C106 C100 C101 Ru2 126.2(4) . . . . ?
C124 B2 C108 C113 -91.6(4) . . . . ?
C116 B2 C108 C113 145.5(4) . . . . ?
C132 B2 C108 C113 30.1(5) . . . . ?
C124 B2 C108 C109 81.2(4) . . . . ?
C116 B2 C108 C109 -41.7(5) . . . . ?
C132 B2 C108 C109 -157.1(4) . . . . ?
C113 C108 C109 C110 -2.0(6) . . . . ?
B2 C108 C109 C110 -175.2(4) . . . . ?
C108 C109 C110 C111 1.7(6) . . . . ?
C108 C109 C110 C114 178.5(4) . . . . ?
C109 C110 C111 C112 0.3(6) . . . . ?
C114 C110 C111 C112 -176.5(4) . . . . ?
C110 C111 C112 C113 -1.9(6) . . . . ?
C110 C111 C112 C115 176.5(4) . . . . ?
C111 C112 C113 C108 1.6(6) . . . . ?
C115 C112 C113 C108 -176.8(4) . . . . ?
C109 C108 C113 C112 0.4(6) . . . . ?
B2 C108 C113 C112 173.8(4) . . . . ?
C109 C110 C114 F31 24.1(6) . . . . ?
C111 C110 C114 F31 -159.1(4) . . . . ?
C109 C110 C114 F32 -98.2(5) . . . . ?
C111 C110 C114 F32 78.6(5) . . . . ?
C109 C110 C114 F33 144.1(4) . . . . ?
C111 C110 C114 F33 -39.0(6) . . . . ?
C111 C112 C115 F35 0.1(6) . . . . ?
C113 C112 C115 F35 178.5(4) . . . . ?
C111 C112 C115 F34 -120.3(4) . . . . ?
C113 C112 C115 F34 58.1(5) . . . . ?
C111 C112 C115 F36 122.4(4) . . . . ?
C113 C112 C115 F36 -59.2(6) . . . . ?
C124 B2 C116 C117 -140.7(4) . . . . ?
C108 B2 C116 C117 -22.8(5) . . . . ?
C132 B2 C116 C117 96.6(4) . . . . ?
C124 B2 C116 C121 45.7(5) . . . . ?
C108 B2 C116 C121 163.6(3) . . . . ?
C132 B2 C116 C121 -77.0(4) . . . . ?
C121 C116 C117 C118 -0.9(6) . . . . ?
B2 C116 C117 C118 -174.8(4) . . . . ?
C116 C117 C118 C119 -0.7(6) . . . . ?
C116 C117 C118 C122 -177.4(4) . . . . ?
C117 C118 C119 C120 1.7(6) . . . . ?
C122 C118 C119 C120 178.4(4) . . . . ?
C118 C119 C120 C121 -1.0(6) . . . . ?
C118 C119 C120 C123 178.9(4) . . . . ?
C119 C120 C121 C116 -0.7(6) . . . . ?
C123 C120 C121 C116 179.4(4) . . . . ?
C117 C116 C121 C120 1.5(6) . . . . ?
B2 C116 C121 C120 175.7(3) . . . . ?
C119 C118 C122 F37 173.4(6) . . . . ?
C117 C118 C122 F37 -9.9(8) . . . . ?
C119 C118 C122 F39 -61.1(6) . . . . ?
C117 C118 C122 F39 115.6(5) . . . . ?
C119 C118 C122 F38 54.7(6) . . . . ?
C117 C118 C122 F38 -128.6(5) . . . . ?
C119 C120 C123 F40 -0.9(6) . . . . ?
C121 C120 C123 F40 179.0(4) . . . . ?
C119 C120 C123 F42 -123.6(4) . . . . ?
C121 C120 C123 F42 56.3(5) . . . . ?
C119 C120 C123 F41 118.5(5) . . . . ?
C121 C120 C123 F41 -61.6(5) . . . . ?
C116 B2 C124 C125 21.9(6) . . . . ?
C108 B2 C124 C125 -101.2(4) . . . . ?
C132 B2 C124 C125 139.0(4) . . . . ?
C116 B2 C124 C129 -167.7(4) . . . . ?
C108 B2 C124 C129 69.2(4) . . . . ?
C132 B2 C124 C129 -50.6(5) . . . . ?
C129 C124 C125 C126 -0.4(6) . . . . ?
B2 C124 C125 C126 170.3(4) . . . . ?
C124 C125 C126 C127 0.5(6) . . . . ?
C124 C125 C126 C130 -174.8(4) . . . . ?
C125 C126 C127 C128 -0.2(6) . . . . ?
C130 C126 C127 C128 175.1(4) . . . . ?
C126 C127 C128 C129 -0.2(6) . . . . ?
C126 C127 C128 C131 -179.4(4) . . . . ?
C127 C128 C129 C124 0.3(6) . . . . ?
C131 C128 C129 C124 179.4(4) . . . . ?
C125 C124 C129 C128 0.0(6) . . . . ?
B2 C124 C129 C128 -171.1(4) . . . . ?
C127 C126 C130 F44 26.7(6) . . . . ?
C125 C126 C130 F44 -157.9(4) . . . . ?
C127 C126 C130 F43 147.1(4) . . . . ?
C125 C126 C130 F43 -37.5(5) . . . . ?
C127 C126 C130 F45 -94.8(5) . . . . ?
C125 C126 C130 F45 80.6(5) . . . . ?
C127 C128 C131 F51 110.9(11) . . . . ?
C129 C128 C131 F51 -68.2(12) . . . . ?
C127 C128 C131 F50 -131.1(9) . . . . ?
C129 C128 C131 F50 49.8(10) . . . . ?
C127 C128 C131 F46 -78.9(8) . . . . ?
C129 C128 C131 F46 102.0(8) . . . . ?
C127 C128 C131 F49 -14.5(11) . . . . ?
C129 C128 C131 F49 166.4(10) . . . . ?
C127 C128 C131 F48 41.6(7) . . . . ?
C129 C128 C131 F48 -137.5(5) . . . . ?
C127 C128 C131 F47 158.6(6) . . . . ?
C129 C128 C131 F47 -20.5(8) . . . . ?
F51 C131 F46 F50 69.0(17) . . . . ?
F49 C131 F46 F50 157.9(13) . . . . ?
F48 C131 F46 F50 136.6(10) . . . . ?
F47 C131 F46 F50 27.5(10) . . . . ?
C128 C131 F46 F50 -98.4(10) . . . . ?
F51 C131 F46 F49 -88.9(16) . . . . ?
F50 C131 F46 F49 -157.9(13) . . . . ?
F48 C131 F46 F49 -21.2(9) . . . . ?
F47 C131 F46 F49 -130.3(9) . . . . ?
C128 C131 F46 F49 103.7(8) . . . . ?
F50 C131 F47 F51 158.5(14) . . . . ?
F46 C131 F47 F51 136.1(13) . . . . ?
F49 C131 F47 F51 73.2(17) . . . . ?
F48 C131 F47 F51 25.1(12) . . . . ?
C128 C131 F47 F51 -98.1(12) . . . . ?
F51 C131 F47 F50 -158.5(14) . . . . ?
F46 C131 F47 F50 -22.4(8) . . . . ?
F49 C131 F47 F50 -85.3(14) . . . . ?
F48 C131 F47 F50 -133.4(8) . . . . ?
C128 C131 F47 F50 103.4(8) . . . . ?
F51 C131 F48 F49 154.8(13) . . . . ?
F50 C131 F48 F49 69.1(14) . . . . ?
F46 C131 F48 F49 23.4(9) . . . . ?
F47 C131 F48 F49 135.6(9) . . . . ?
C128 C131 F48 F49 -101.3(9) . . . . ?
F50 C131 F48 F51 -85.7(14) . . . . ?
F46 C131 F48 F51 -131.4(10) . . . . ?
F49 C131 F48 F51 -154.8(13) . . . . ?
F47 C131 F48 F51 -19.2(9) . . . . ?
C128 C131 F48 F51 103.9(9) . . . . ?
C131 F48 F49 F46 -26.8(10) . . . . ?
F51 F48 F49 F46 -3.8(18) . . . . ?
F51 F48 F49 C131 22.9(11) . . . . ?
F50 F46 F49 F48 5(2) . . . . ?
C131 F46 F49 F48 28.0(10) . . . . ?
F50 F46 F49 C131 -23.4(13) . . . . ?
F51 C131 F49 F48 -23.9(12) . . . . ?
F50 C131 F49 F48 -136.6(9) . . . . ?
F46 C131 F49 F48 -153.4(10) . . . . ?
F47 C131 F49 F48 -68.8(13) . . . . ?
C128 C131 F49 F48 102.6(7) . . . . ?
F51 C131 F49 F46 129.5(10) . . . . ?
F50 C131 F49 F46 16.8(9) . . . . ?
F48 C131 F49 F46 153.4(10) . . . . ?
F47 C131 F49 F46 84.6(12) . . . . ?
C128 C131 F49 F46 -104.1(6) . . . . ?
F49 F46 F50 C131 22.6(12) . . . . ?
F49 F46 F50 F47 -7(2) . . . . ?
C131 F46 F50 F47 -29.5(10) . . . . ?
F51 C131 F50 F46 -135.4(11) . . . . ?
F49 C131 F50 F46 -19.4(11) . . . . ?
F48 C131 F50 F46 -67.9(13) . . . . ?
F47 C131 F50 F46 -150.7(10) . . . . ?
C128 C131 F50 F46 102.6(8) . . . . ?
F51 C131 F50 F47 15.2(10) . . . . ?
F46 C131 F50 F47 150.7(10) . . . . ?
F49 C131 F50 F47 131.3(8) . . . . ?
F48 C131 F50 F47 82.7(10) . . . . ?
C128 C131 F50 F47 -106.7(6) . . . . ?
F51 F47 F50 F46 10(2) . . . . ?
C131 F47 F50 F46 31.8(11) . . . . ?
F51 F47 F50 C131 -21.6(14) . . . . ?
F50 F47 F51 C131 19.8(13) . . . . ?
C131 F47 F51 F48 -29.9(13) . . . . ?
F50 F47 F51 F48 -10(2) . . . . ?
F50 C131 F51 F47 -20.0(13) . . . . ?
F46 C131 F51 F47 -66.1(17) . . . . ?
F49 C131 F51 F47 -131.7(11) . . . . ?
F48 C131 F51 F47 -152.4(13) . . . . ?
C128 C131 F51 F47 101.3(10) . . . . ?
F50 C131 F51 F48 132.4(8) . . . . ?
F46 C131 F51 F48 86.3(12) . . . . ?
F49 C131 F51 F48 20.7(10) . . . . ?
F47 C131 F51 F48 152.4(13) . . . . ?
C128 C131 F51 F48 -106.2(6) . . . . ?
F49 F48 F51 F47 8(2) . . . . ?
C131 F48 F51 F47 32.9(15) . . . . ?
F49 F48 F51 C131 -24.9(12) . . . . ?
C124 B2 C132 C133 -20.5(6) . . . . ?
C116 B2 C132 C133 102.0(5) . . . . ?
C108 B2 C132 C133 -136.7(4) . . . . ?
C124 B2 C132 C137 164.1(4) . . . . ?
C116 B2 C132 C137 -73.5(4) . . . . ?
C108 B2 C132 C137 47.9(5) . . . . ?
C137 C132 C133 C134 -0.1(6) . . . . ?
B2 C132 C133 C134 -175.6(4) . . . . ?
C132 C133 C134 C135 -0.3(7) . . . . ?
C132 C133 C134 C138 179.4(5) . . . . ?
C133 C134 C135 C136 0.6(7) . . . . ?
C138 C134 C135 C136 -179.0(5) . . . . ?
C134 C135 C136 C137 -0.6(7) . . . . ?
C134 C135 C136 C139 -179.5(5) . . . . ?
C135 C136 C137 C132 0.3(7) . . . . ?
C139 C136 C137 C132 179.1(4) . . . . ?
C133 C132 C137 C136 0.1(6) . . . . ?
B2 C132 C137 C136 175.9(4) . . . . ?
C135 C134 C138 F53 95.7(6) . . . . ?
C133 C134 C138 F53 -84.0(6) . . . . ?
C135 C134 C138 F52 -143.7(5) . . . . ?
C133 C134 C138 F52 36.6(7) . . . . ?
C135 C134 C138 F54 -25.5(7) . . . . ?
C133 C134 C138 F54 154.8(5) . . . . ?
C135 C136 C139 F55 -10.2(8) . . . . ?
C137 C136 C139 F55 170.9(5) . . . . ?
C135 C136 C139 F56 116.8(5) . . . . ?
C137 C136 C139 F56 -62.1(7) . . . . ?
C135 C136 C139 F57 -128.7(5) . . . . ?
C137 C136 C139 F57 52.5(6) . . . . ?

_refine_diff_density_max         1.045
_refine_diff_density_min         -0.948
_refine_diff_density_rms         0.096

