#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:47:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179864 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/60/7016092.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7016092
loop_
_publ_author_name
'Kuchison, Angela M.'
'Wolf, Michael O.'
'Patrick, Brian O.'
_publ_section_title
;
 Photophysical and electrochemical properties of Ru(ii) complexes
 containing tridentate bisphosphino-oligothiophene ligands.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6912
_journal_page_last               6921
_journal_paper_doi               10.1039/c1dt10217f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C46 H34 Cl F6 N2 P3 Ru S3'
_chemical_formula_weight         1054.36
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.643(5)
_cell_angle_beta                 92.318(5)
_cell_angle_gamma                95.276(5)
_cell_formula_units_Z            4
_cell_length_a                   9.9549(13)
_cell_length_b                   14.7616(19)
_cell_length_c                   30.146(3)
_cell_measurement_reflns_used    9030
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.09
_cell_measurement_theta_min      2.37
_cell_volume                     4365.8(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker X8 APEX II'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_sigmaI/netI    0.0557
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            76396
_diffrn_reflns_theta_full        27.97
_diffrn_reflns_theta_max         27.97
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.898
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.137
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1244
_refine_ls_number_reflns         20031
_refine_ls_number_restraints     83
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0161P)²+9.5146P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                14348
_reflns_number_total             20031
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10217f.txt
_cod_data_source_block           complex_7
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7016092
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9897(5) 0.1298(3) 0.32898(16) 0.0330(12) Uani 0.9421(15) 1 d PDU A 1
H1 H 1.0406 0.1678 0.3114 0.040 Uiso 0.9421(15) 1 calc PR A 1
C2 C 0.9154(5) 0.0495(4) 0.31170(17) 0.0296(12) Uani 0.9421(15) 1 d PDU A 1
H2 H 0.9096 0.0252 0.2808 0.035 Uiso 0.9421(15) 1 calc PR A 1
C3 C 0.8470(4) 0.0060(3) 0.34536(18) 0.0231(10) Uani 0.9421(15) 1 d PD A 1
C4 C 0.8744(4) 0.0555(2) 0.38784(12) 0.0256(8) Uani 0.9421(15) 1 d PD A 1
C5 C 0.8338(4) 0.0343(2) 0.43101(12) 0.0270(8) Uani 0.9421(15) 1 d PD A 1
C6 C 0.8816(4) 0.0722(3) 0.47316(13) 0.0354(9) Uani 0.9421(15) 1 d PD A 1
H6 H 0.9433 0.1260 0.4789 0.042 Uiso 0.9421(15) 1 calc PR A 1
C7 C 0.8306(4) 0.0237(3) 0.50779(13) 0.0354(10) Uani 0.9421(15) 1 d PD A 1
H7 H 0.8552 0.0424 0.5387 0.043 Uiso 0.9421(15) 1 calc PR A 1
C8 C 0.7434(4) -0.0515(2) 0.49266(12) 0.0269(8) Uani 0.9421(15) 1 d PD A 1
C9 C 0.6718(4) -0.1203(3) 0.51529(12) 0.0319(9) Uani 0.9421(15) 1 d PD A 1
C10 C 0.6477(4) -0.2143(3) 0.50224(14) 0.0328(10) Uani 0.9421(15) 1 d PD A 1
C11 C 0.5686(5) -0.2568(3) 0.53370(15) 0.0490(12) Uani 0.9421(15) 1 d PD A 1
H11 H 0.5414 -0.3209 0.5303 0.059 Uiso 0.9421(15) 1 calc PR A 1
C12 C 0.5362(6) -0.1974(4) 0.56862(17) 0.0628(16) Uani 0.9421(15) 1 d PD A 1
H12 H 0.4843 -0.2148 0.5924 0.075 Uiso 0.9421(15) 1 calc PR A 1
C13 C 0.8363(4) -0.3524(2) 0.33278(12) 0.0312(8) Uani 1 1 d . . .
H13 H 0.9233 -0.3217 0.3415 0.037 Uiso 1 1 calc R . .
C14 C 0.8261(4) -0.4357(3) 0.30535(13) 0.0385(9) Uani 1 1 d . . .
H14 H 0.9052 -0.4619 0.2955 0.046 Uiso 1 1 calc R . .
C15 C 0.7003(4) -0.4805(3) 0.29239(13) 0.0392(10) Uani 1 1 d . . .
H15 H 0.6921 -0.5383 0.2739 0.047 Uiso 1 1 calc R . .
C16 C 0.5871(4) -0.4410(2) 0.30638(12) 0.0332(9) Uani 1 1 d . . .
H16 H 0.4997 -0.4706 0.2972 0.040 Uiso 1 1 calc R . .
C17 C 0.6020(3) -0.3569(2) 0.33424(11) 0.0238(7) Uani 1 1 d . . .
C18 C 0.4894(3) -0.3099(2) 0.35204(11) 0.0249(7) Uani 1 1 d . . .
C19 C 0.3545(4) -0.3420(3) 0.34138(13) 0.0358(9) Uani 1 1 d . . .
H19 H 0.3317 -0.3962 0.3208 0.043 Uiso 1 1 calc R . .
C20 C 0.2538(4) -0.2942(3) 0.36105(15) 0.0437(10) Uani 1 1 d . . .
H20 H 0.1613 -0.3152 0.3541 0.052 Uiso 1 1 calc R . .
C21 C 0.2902(4) -0.2155(3) 0.39096(15) 0.0444(11) Uani 1 1 d . . .
H21 H 0.2230 -0.1822 0.4053 0.053 Uiso 1 1 calc R . .
C22 C 0.4256(4) -0.1858(3) 0.39965(13) 0.0351(9) Uani 1 1 d . . .
H22 H 0.4497 -0.1312 0.4199 0.042 Uiso 1 1 calc R . .
C23 C 0.7983(3) -0.1547(2) 0.28003(11) 0.0246(7) Uani 1 1 d . . .
C24 C 0.9322(4) -0.1761(3) 0.28004(13) 0.0351(9) Uani 1 1 d . . .
H24 H 0.9897 -0.1586 0.3063 0.042 Uiso 1 1 calc R . .
C25 C 0.9819(4) -0.2223(3) 0.24237(14) 0.0400(10) Uani 1 1 d . . .
H25 H 1.0728 -0.2370 0.2430 0.048 Uiso 1 1 calc R . .
C26 C 0.9006(4) -0.2474(3) 0.20391(13) 0.0390(10) Uani 1 1 d . . .
H26 H 0.9352 -0.2793 0.1781 0.047 Uiso 1 1 calc R . .
C27 C 0.7693(4) -0.2261(3) 0.20298(13) 0.0391(9) Uani 1 1 d . . .
H27 H 0.7133 -0.2430 0.1763 0.047 Uiso 1 1 calc R . .
C28 C 0.7177(4) -0.1799(2) 0.24103(12) 0.0314(8) Uani 1 1 d . . .
H28 H 0.6266 -0.1656 0.2401 0.038 Uiso 1 1 calc R . .
C29 C 0.5751(3) -0.0582(2) 0.31824(11) 0.0237(7) Uani 1 1 d . . .
C30 C 0.5563(4) 0.0352(2) 0.32618(12) 0.0297(8) Uani 1 1 d . . .
H30 H 0.6310 0.0786 0.3366 0.036 Uiso 1 1 calc R . .
C31 C 0.4305(4) 0.0651(3) 0.31912(13) 0.0370(9) Uani 1 1 d . . .
H31 H 0.4195 0.1289 0.3243 0.044 Uiso 1 1 calc R . .
C32 C 0.3209(4) 0.0025(3) 0.30450(13) 0.0388(10) Uani 1 1 d . . .
H32 H 0.2342 0.0229 0.3003 0.047 Uiso 1 1 calc R . .
C33 C 0.3376(4) -0.0894(3) 0.29596(13) 0.0377(9) Uani 1 1 d . . .
H33 H 0.2623 -0.1323 0.2854 0.045 Uiso 1 1 calc R . .
C34 C 0.4632(3) -0.1202(3) 0.30263(12) 0.0310(8) Uani 1 1 d . . .
H34 H 0.4734 -0.1839 0.2965 0.037 Uiso 1 1 calc R . .
C35 C 0.6234(4) -0.3865(2) 0.44132(12) 0.0303(8) Uani 1 1 d . . .
C36 C 0.6875(4) -0.4625(2) 0.42422(12) 0.0361(9) Uani 1 1 d . . .
H36 H 0.7832 -0.4577 0.4235 0.043 Uiso 1 1 calc R . .
C37 C 0.6131(5) -0.5454(3) 0.40817(14) 0.0470(11) Uani 1 1 d . . .
H37 H 0.6581 -0.5966 0.3964 0.056 Uiso 1 1 calc R . .
C38 C 0.4759(5) -0.5536(3) 0.40912(14) 0.0493(11) Uani 1 1 d . . .
H38 H 0.4255 -0.6103 0.3978 0.059 Uiso 1 1 calc R . .
C39 C 0.4100(5) -0.4799(3) 0.42645(15) 0.0510(11) Uani 1 1 d . . .
H39 H 0.3145 -0.4863 0.4276 0.061 Uiso 1 1 calc R . .
C40 C 0.4830(4) -0.3956(3) 0.44242(14) 0.0427(10) Uani 1 1 d . . .
H40 H 0.4370 -0.3447 0.4540 0.051 Uiso 1 1 calc R . .
C41 C 0.8794(4) -0.3091(3) 0.47923(13) 0.0284(10) Uiso 0.9421(15) 1 d P A 1
C42 C 0.9836(5) -0.3307(3) 0.45212(16) 0.0494(12) Uani 0.9421(15) 1 d P A 1
H42 H 0.9784 -0.3209 0.4216 0.059 Uiso 0.9421(15) 1 calc PR A 1
C43 C 1.0957(5) -0.3665(4) 0.4691(2) 0.0668(17) Uani 0.9421(15) 1 d P A 1
H43 H 1.1666 -0.3818 0.4502 0.080 Uiso 0.9421(15) 1 calc PR A 1
C44 C 1.1041(6) -0.3800(4) 0.51374(19) 0.0651(16) Uani 0.9421(15) 1 d P A 1
H44 H 1.1822 -0.4025 0.5258 0.078 Uiso 0.9421(15) 1 calc PR A 1
C45 C 1.0001(5) -0.3610(4) 0.54026(18) 0.0529(14) Uiso 0.9421(15) 1 d P A 1
H45 H 1.0039 -0.3728 0.5705 0.063 Uiso 0.9421(15) 1 calc PR A 1
C46 C 0.8895(5) -0.3247(3) 0.52348(14) 0.0424(11) Uani 0.9421(15) 1 d P A 1
H46 H 0.8187 -0.3100 0.5426 0.051 Uiso 0.9421(15) 1 calc PR A 1
C47 C 0.9952(5) 0.1573(4) -0.06286(17) 0.0518(14) Uani 0.8707(17) 1 d PD B 1
H47 H 1.0566 0.1657 -0.0856 0.062 Uiso 0.8707(17) 1 calc PR B 1
C48 C 0.9570(5) 0.2274(3) -0.03347(14) 0.0378(11) Uani 0.8707(17) 1 d PD B 1
H48 H 0.9883 0.2901 -0.0337 0.045 Uiso 0.8707(17) 1 calc PR B 1
C49 C 0.8644(4) 0.1964(3) -0.00218(14) 0.0266(10) Uani 0.8707(17) 1 d PD B 1
C50 C 0.8356(4) 0.1023(3) -0.00985(12) 0.0266(9) Uani 0.8707(17) 1 d PD B 1
C51 C 0.7509(4) 0.0439(3) 0.01479(13) 0.0267(9) Uani 0.8707(17) 1 d PD B 1
C52 C 0.6642(4) -0.0330(3) 0.00175(14) 0.0344(10) Uani 0.8707(17) 1 d PD B 1
H52 H 0.6486 -0.0603 -0.0286 0.041 Uiso 0.8707(17) 1 calc PR B 1
C53 C 0.5997(4) -0.0682(3) 0.03774(14) 0.0353(10) Uani 0.8707(17) 1 d PD B 1
H53 H 0.5368 -0.1214 0.0336 0.042 Uiso 0.8707(17) 1 calc PR B 1
C54 C 0.6352(4) -0.0197(3) 0.07878(13) 0.0249(9) Uani 0.8707(17) 1 d PD B 1
C55 C 0.5813(4) -0.0281(3) 0.12208(13) 0.0251(9) Uani 0.8707(17) 1 d PD B 1
C56 C 0.6007(3) 0.0311(2) 0.16198(11) 0.0254(7) Uani 0.8707(17) 1 d PD B 1
C57 C 0.5308(10) -0.0064(7) 0.1960(2) 0.038(3) Uani 0.8707(17) 1 d PDU B 1
H57 H 0.5375 0.0219 0.2263 0.045 Uiso 0.8707(17) 1 calc PR B 1
C58 C 0.4534(7) -0.0863(5) 0.1820(3) 0.0349(19) Uani 0.8707(17) 1 d PDU B 1
H58 H 0.3980 -0.1184 0.2009 0.042 Uiso 0.8707(17) 1 calc PR B 1
C59 C 0.6199(4) 0.3845(2) 0.14599(12) 0.0310(8) Uani 1 1 d . . .
H59 H 0.5363 0.3528 0.1339 0.037 Uiso 1 1 calc R . .
C60 C 0.6198(4) 0.4725(3) 0.16775(14) 0.0411(10) Uani 1 1 d . . .
H60 H 0.5383 0.5012 0.1702 0.049 Uiso 1 1 calc R . .
C61 C 0.7407(5) 0.5184(3) 0.18599(14) 0.0434(10) Uani 1 1 d . . .
H61 H 0.7435 0.5791 0.2013 0.052 Uiso 1 1 calc R . .
C62 C 0.8574(4) 0.4750(2) 0.18169(12) 0.0347(9) Uani 1 1 d . . .
H62 H 0.9411 0.5055 0.1943 0.042 Uiso 1 1 calc R . .
C63 C 0.8519(3) 0.3864(2) 0.15880(11) 0.0253(7) Uani 1 1 d . . .
C64 C 0.9700(3) 0.3354(2) 0.15048(11) 0.0235(7) Uani 1 1 d . . .
C65 C 1.1011(4) 0.3696(3) 0.16581(12) 0.0338(9) Uani 1 1 d . . .
H65 H 1.1174 0.4272 0.1843 0.041 Uiso 1 1 calc R . .
C66 C 1.2065(4) 0.3191(3) 0.15397(13) 0.0397(10) Uani 1 1 d . . .
H66 H 1.2966 0.3422 0.1637 0.048 Uiso 1 1 calc R . .
C67 C 1.1808(3) 0.2347(3) 0.12793(13) 0.0378(10) Uani 1 1 d . . .
H67 H 1.2528 0.1992 0.1194 0.045 Uiso 1 1 calc R . .
C68 C 1.0488(3) 0.2026(3) 0.11438(11) 0.0282(8) Uani 1 1 d . . .
H68 H 1.0315 0.1440 0.0968 0.034 Uiso 1 1 calc R . .
C69 C 0.6372(3) 0.3053(2) 0.00423(12) 0.0287(8) Uani 0.8707(17) 1 d P B 1
C70 C 0.6488(4) 0.3066(3) -0.04159(14) 0.0345(10) Uani 0.8707(17) 1 d P B 1
H70 H 0.7259 0.2855 -0.0557 0.041 Uiso 0.8707(17) 1 calc PR B 1
C71 C 0.5475(5) 0.3388(3) -0.06661(17) 0.0445(12) Uani 0.8707(17) 1 d P B 1
H71 H 0.5548 0.3392 -0.0979 0.053 Uiso 0.8707(17) 1 calc PR B 1
C72 C 0.4372(6) 0.3697(4) -0.04593(19) 0.0546(16) Uani 0.8707(17) 1 d P B 1
H72 H 0.3693 0.3936 -0.0628 0.066 Uiso 0.8707(17) 1 calc PR B 1
C73 C 0.4242(6) 0.3665(4) -0.00127(19) 0.0661(18) Uani 0.8707(17) 1 d P B 1
H73 H 0.3456 0.3859 0.0125 0.079 Uiso 0.8707(17) 1 calc PR B 1
C74 C 0.5250(5) 0.3352(4) 0.02411(16) 0.0453(13) Uani 0.8707(17) 1 d P B 1
H74 H 0.5163 0.3346 0.0553 0.054 Uiso 0.8707(17) 1 calc PR B 1
S4 S 0.92107(13) 0.05336(9) -0.05425(4) 0.0450(3) Uani 0.8707(17) 1 d P B 1
S5 S 0.76634(14) 0.06473(8) 0.07349(5) 0.0193(3) Uani 0.8707(17) 1 d P B 1
S6 S 0.46695(12) -0.12147(8) 0.12743(4) 0.0353(3) Uani 0.8707(17) 1 d P B 1
C75 C 0.8888(4) 0.3811(3) 0.04802(12) 0.0305(8) Uani 1 1 d . . .
C76 C 0.8318(4) 0.4625(3) 0.05770(14) 0.0417(10) Uani 1 1 d . . .
H76 H 0.7367 0.4634 0.0541 0.050 Uiso 1 1 calc R . .
C77 C 0.9134(5) 0.5439(3) 0.07277(17) 0.0557(12) Uani 1 1 d . . .
H77 H 0.8734 0.5997 0.0796 0.067 Uiso 1 1 calc R . .
C78 C 1.0509(5) 0.5437(3) 0.07771(16) 0.0567(13) Uani 1 1 d . . .
H78 H 1.1058 0.5989 0.0884 0.068 Uiso 1 1 calc R . .
C79 C 1.1084(5) 0.4638(4) 0.06723(15) 0.0525(12) Uani 1 1 d . . .
H79 H 1.2038 0.4641 0.0701 0.063 Uiso 1 1 calc R . .
C80 C 1.0294(4) 0.3819(3) 0.05245(13) 0.0412(10) Uani 1 1 d . . .
H80 H 1.0708 0.3266 0.0454 0.049 Uiso 1 1 calc R . .
C81 C 0.6476(3) 0.2002(2) 0.21997(11) 0.0242(7) Uani 1 1 d . . .
C82 C 0.5221(3) 0.2329(2) 0.21392(12) 0.0305(8) Uani 1 1 d . . .
H82 H 0.4758 0.2213 0.1853 0.037 Uiso 1 1 calc R . .
C83 C 0.4643(4) 0.2822(3) 0.24931(12) 0.0341(9) Uani 1 1 d . . .
H83 H 0.3786 0.3040 0.2448 0.041 Uiso 1 1 calc R . .
C84 C 0.5305(4) 0.2998(2) 0.29111(12) 0.0330(9) Uani 1 1 d . . .
H84 H 0.4903 0.3333 0.3154 0.040 Uiso 1 1 calc R . .
C85 C 0.6551(4) 0.2686(3) 0.29750(12) 0.0347(9) Uani 1 1 d . . .
H85 H 0.7016 0.2813 0.3261 0.042 Uiso 1 1 calc R . .
C86 C 0.7129(4) 0.2185(2) 0.26229(11) 0.0280(8) Uani 1 1 d . . .
H86 H 0.7983 0.1965 0.2672 0.034 Uiso 1 1 calc R . .
C87 C 0.8754(3) 0.0964(2) 0.18929(11) 0.0239(7) Uani 1 1 d . . .
C88 C 0.9798(3) 0.1584(3) 0.21069(11) 0.0271(8) Uani 1 1 d . . .
H88 H 0.9639 0.2204 0.2199 0.032 Uiso 1 1 calc R . .
C89 C 1.1070(4) 0.1300(3) 0.21863(12) 0.0346(9) Uani 1 1 d . . .
H89 H 1.1770 0.1723 0.2337 0.042 Uiso 1 1 calc R . .
C90 C 1.1319(4) 0.0406(3) 0.20463(13) 0.0395(10) Uani 1 1 d . . .
H90 H 1.2194 0.0218 0.2094 0.047 Uiso 1 1 calc R . .
C91 C 1.0293(4) -0.0212(3) 0.18378(13) 0.0387(10) Uani 1 1 d . . .
H91 H 1.0462 -0.0830 0.1745 0.046 Uiso 1 1 calc R . .
C92 C 0.9012(4) 0.0058(3) 0.17622(12) 0.0312(8) Uani 1 1 d . . .
H92 H 0.8310 -0.0377 0.1621 0.037 Uiso 1 1 calc R . .
N1 N 0.7264(3) -0.31354(18) 0.34756(9) 0.0221(6) Uani 1 1 d . A .
N2 N 0.5248(3) -0.23065(19) 0.38076(9) 0.0238(6) Uani 1 1 d . A .
N3 N 0.7323(3) 0.34110(18) 0.14099(9) 0.0212(6) Uani 1 1 d . B .
N4 N 0.9435(3) 0.25114(18) 0.12508(8) 0.0203(6) Uani 1 1 d . B .
F1 F 1.0853(3) 0.4493(2) 0.27993(10) 0.0869(11) Uani 1 1 d . . .
F2 F 1.1706(3) 0.3440(3) 0.35934(12) 0.0954(12) Uani 1 1 d . . .
F3 F 1.2829(2) 0.43203(17) 0.31514(10) 0.0595(7) Uani 1 1 d . . .
F4 F 1.1111(3) 0.48578(19) 0.35370(11) 0.0795(10) Uani 1 1 d . . .
F5 F 0.9757(3) 0.3616(2) 0.32503(11) 0.0732(9) Uani 1 1 d . . .
F6 F 1.1447(3) 0.30864(19) 0.28530(12) 0.0813(10) Uani 1 1 d . . .
F7 F 1.2646(3) 0.7083(2) 0.16230(12) 0.0823(10) Uani 1 1 d . . .
F8 F 1.3534(3) 0.5656(2) 0.22451(10) 0.0763(9) Uani 1 1 d . . .
F9 F 1.4635(2) 0.66890(18) 0.18715(10) 0.0654(8) Uani 1 1 d . . .
F10 F 1.3087(3) 0.7144(2) 0.23554(10) 0.0775(9) Uani 1 1 d . . .
F11 F 1.1546(2) 0.60561(18) 0.19895(11) 0.0698(9) Uani 1 1 d . . .
F12 F 1.3111(3) 0.55991(17) 0.15159(9) 0.0576(7) Uani 1 1 d . . .
S1 S 0.98094(11) 0.15392(7) 0.38530(4) 0.0392(3) Uani 0.9421(15) 1 d P A 1
S2 S 0.70993(9) -0.05631(6) 0.43533(3) 0.0227(2) Uani 0.9421(15) 1 d P A 1
S3 S 0.59939(14) -0.08707(8) 0.56522(4) 0.0530(4) Uani 0.9421(15) 1 d P A 1
Ru1 Ru 0.72906(3) -0.192175(18) 0.391231(9) 0.02006(7) Uani 1 1 d . . .
Ru2 Ru 0.74286(2) 0.210948(18) 0.106660(9) 0.01838(7) Uani 1 1 d . . .
P1 P 0.73662(8) -0.10049(6) 0.33247(3) 0.02161(18) Uani 1 1 d . A .
P2 P 0.72410(9) -0.27481(6) 0.45451(3) 0.0254(2) Uani 1 1 d . A .
P3 P 0.77866(9) 0.27319(6) 0.03799(3) 0.02427(19) Uani 1 1 d . B .
P4 P 0.71566(8) 0.13620(6) 0.17113(3) 0.02040(18) Uani 1 1 d . B .
P5 P 1.12821(10) 0.39730(7) 0.32003(4) 0.0374(2) Uani 1 1 d . . .
P6 P 1.30939(10) 0.63707(7) 0.19378(4) 0.0353(2) Uani 1 1 d . . .
Cl1 Cl 0.97067(9) -0.15702(7) 0.39777(4) 0.0302(2) Uani 0.9421(15) 1 d P A 1
Cl2 Cl 0.50040(13) 0.17748(9) 0.09241(5) 0.0274(3) Uani 0.8707(17) 1 d P B 1
S4B S 0.3903(9) 0.2928(6) -0.0317(3) 0.047(2) Uiso 0.1293(17) 1 d P B 2
S5B S 0.5300(10) 0.1790(7) 0.0812(3) 0.023(3) Uiso 0.1293(17) 1 d PD B 2
C47B C 0.504(3) 0.376(2) -0.0457(11) 0.030(8) Uiso 0.1293(17) 1 d PD B 2
H47B H 0.4883 0.4134 -0.0685 0.036 Uiso 0.1293(17) 1 calc PR B 2
C48B C 0.622(2) 0.3835(15) -0.0198(9) 0.038(7) Uiso 0.1293(17) 1 d PD B 2
H48B H 0.6883 0.4348 -0.0177 0.045 Uiso 0.1293(17) 1 calc PR B 2
C49B C 0.6372(3) 0.3053(2) 0.00423(12) 0.0287(8) Uani 0.1293(17) 1 d PD B 2
C50B C 0.511(2) 0.2558(14) 0.0036(9) 0.030(6) Uiso 0.1293(17) 1 d PD B 2
C51B C 0.473(2) 0.1778(13) 0.0266(8) 0.029(6) Uiso 0.1293(17) 1 d PD B 2
C52B C 0.395(3) 0.0972(14) 0.0127(7) 0.038(7) Uiso 0.1293(17) 1 d PD B 2
H52B H 0.3445 0.0845 -0.0152 0.046 Uiso 0.1293(17) 1 calc PR B 2
C53B C 0.396(3) 0.0350(14) 0.0443(7) 0.035(7) Uiso 0.1293(17) 1 d PD B 2
H53B H 0.3503 -0.0249 0.0383 0.042 Uiso 0.1293(17) 1 calc PR B 2
C54B C 0.468(2) 0.0656(15) 0.0845(6) 0.025(6) Uiso 0.1293(17) 1 d PD B 2
C55B C 0.505(2) 0.0228(18) 0.1234(6) 0.033(7) Uiso 0.1293(17) 1 d PD B 2
C56B C 0.6007(3) 0.0311(2) 0.16198(11) 0.0254(7) Uani 0.1293(17) 1 d PD B 2
C57B C 0.520(5) 0.005(4) 0.1970(9) 0.007(8) Uiso 0.1293(17) 1 d PDU B 2
H57B H 0.5266 0.0366 0.2268 0.008 Uiso 0.1293(17) 1 calc PR B 2
C58B C 0.433(4) -0.070(3) 0.1826(14) 0.009(8) Uiso 0.1293(17) 1 d PDU B 2
H58B H 0.4027 -0.1147 0.2011 0.011 Uiso 0.1293(17) 1 calc PR B 2
S6B S 0.3867(7) -0.0759(5) 0.1288(2) 0.0311(18) Uiso 0.1293(17) 1 d P B 2
C69B C 0.8754(17) 0.2316(13) -0.0099(5) 0.012(6) Uiso 0.1293(17) 1 d PG B 2
C70B C 0.8387(16) 0.2361(13) -0.0545(6) 0.036(7) Uiso 0.1293(17) 1 d PG B 2
H70B H 0.7579 0.2615 -0.0620 0.044 Uiso 0.1293(17) 1 calc PR B 2
C71B C 0.9203(19) 0.2032(15) -0.0882(5) 0.039(7) Uiso 0.1293(17) 1 d PG B 2
H71B H 0.8953 0.2063 -0.1186 0.047 Uiso 0.1293(17) 1 calc PR B 2
C72B C 1.0385(18) 0.1660(15) -0.0772(6) 0.038(9) Uiso 0.1293(17) 1 d PG B 2
H72B H 1.0943 0.1435 -0.1002 0.046 Uiso 0.1293(17) 1 calc PR B 2
C73B C 1.0752(16) 0.1615(15) -0.0327(6) 0.039(7) Uiso 0.1293(17) 1 d PG B 2
H73B H 1.1560 0.1361 -0.0252 0.047 Uiso 0.1293(17) 1 calc PR B 2
C74B C 0.9936(19) 0.1943(14) 0.0010(5) 0.044(8) Uiso 0.1293(17) 1 d PG B 2
H74B H 1.0186 0.1913 0.0315 0.053 Uiso 0.1293(17) 1 calc PR B 2
Cl2B Cl 0.7977(10) 0.0731(8) 0.0636(4) 0.029(3) Uiso 0.1293(17) 1 d P B 2
C41B C 0.622(4) -0.235(4) 0.5068(12) 0.0328(10) Uani 0.0579(15) 1 d PG A 2
C42B C 0.676(3) -0.233(3) 0.5502(14) 0.020(12) Uiso 0.0579(15) 1 d PG A 2
H42B H 0.7667 -0.2472 0.5550 0.024 Uiso 0.0579(15) 1 calc PR A 2
C43B C 0.599(4) -0.210(3) 0.5865(11) 0.04(2) Uiso 0.0579(15) 1 d PG A 2
H43B H 0.6356 -0.2087 0.6162 0.050 Uiso 0.0579(15) 1 calc PR A 2
C44B C 0.467(4) -0.190(4) 0.5794(14) 0.042(19) Uiso 0.0579(15) 1 d PG A 2
H44B H 0.4134 -0.1741 0.6043 0.050 Uiso 0.0579(15) 1 calc PR A 2
C45B C 0.412(4) -0.192(4) 0.5360(16) 0.07(3) Uiso 0.0579(15) 1 d PG A 2
H45B H 0.3223 -0.1780 0.5312 0.089 Uiso 0.0579(15) 1 calc PR A 2
C46B C 0.490(5) -0.215(4) 0.4997(12) 0.034(15) Uiso 0.0579(15) 1 d PG A 2
H46B H 0.4533 -0.2164 0.4700 0.040 Uiso 0.0579(15) 1 calc PR A 2
S1B S 1.079(2) 0.1050(14) 0.3755(7) 0.047(5) Uiso 0.0579(15) 1 d P A 2
S2B S 0.951(8) -0.167(3) 0.4132(17) 0.25(5) Uiso 0.0579(15) 1 d PD A 2
S3B S 1.113(2) -0.2928(16) 0.5181(7) 0.058(6) Uiso 0.0579(15) 1 d PD A 2
C1B C 1.002(7) 0.103(4) 0.3223(19) 0.007(13) Uiso 0.0579(15) 1 d PDU A 2
H1B H 1.0401 0.1358 0.2998 0.008 Uiso 0.0579(15) 1 calc PR A 2
C2B C 0.882(6) 0.050(6) 0.317(2) 0.015(16) Uiso 0.0579(15) 1 d PDU A 2
H2B H 0.8150 0.0526 0.2939 0.018 Uiso 0.0579(15) 1 calc PR A 2
C3B C 0.868(6) -0.011(6) 0.350(3) 0.0231(10) Uani 0.0579(15) 1 d PD A 2
C4B C 0.983(5) -0.005(3) 0.3781(14) 0.027(13) Uiso 0.0579(15) 1 d PD A 2
C5B C 1.010(4) -0.054(2) 0.4154(12) 0.015(11) Uiso 0.0579(15) 1 d PD A 2
C6B C 1.092(5) -0.028(2) 0.4535(12) 0.020(12) Uiso 0.0579(15) 1 d PD A 2
H6B H 1.1386 0.0320 0.4610 0.024 Uiso 0.0579(15) 1 calc PR A 2
C7B C 1.101(7) -0.100(3) 0.481(2) 0.07(3) Uiso 0.0579(15) 1 d PD A 2
H7B H 1.1603 -0.0948 0.5063 0.083 Uiso 0.0579(15) 1 calc PR A 2
C8B C 1.014(4) -0.176(2) 0.4657(13) 0.016(11) Uiso 0.0579(15) 1 d PD A 2
C9B C 0.987(3) -0.259(3) 0.4862(17) 0.033(15) Uiso 0.0579(15) 1 d PD A 2
C10B C 0.865(3) -0.309(4) 0.491(2) 0.0284(10) Uiso 0.0579(15) 1 d PD A 2
C11B C 0.885(3) -0.387(3) 0.5127(17) 0.020 Uiso 0.0579(15) 1 d PD A 2
H11B H 0.8136 -0.4310 0.5178 0.024 Uiso 0.0579(15) 1 calc PR A 2
C12B C 1.017(4) -0.391(3) 0.525(3) 0.0529(14) Uiso 0.0579(15) 1 d PD A 2
H12B H 1.0511 -0.4417 0.5370 0.063 Uiso 0.0579(15) 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 S1 112.5(3) . . ?
C2 C1 H1 123.7 . . ?
S1 C1 H1 123.7 . . ?
C1 C2 C3 112.5(5) . . ?
C1 C2 H2 123.8 . . ?
C3 C2 H2 123.8 . . ?
C4 C3 C2 111.9(4) . . ?
C4 C3 P1 125.4(3) . . ?
C2 C3 P1 122.8(4) . . ?
C3 C4 C5 130.3(3) . . ?
C3 C4 S1 110.7(3) . . ?
C5 C4 S1 119.0(3) . . ?
C6 C5 C4 130.2(4) . . ?
C6 C5 S2 108.7(3) . . ?
C4 C5 S2 121.0(3) . . ?
C5 C6 C7 114.0(4) . . ?
C5 C6 H6 123.0 . . ?
C7 C6 H6 123.0 . . ?
C8 C7 C6 114.0(4) . . ?
C8 C7 H7 123.0 . . ?
C6 C7 H7 123.0 . . ?
C7 C8 C9 132.5(4) . . ?
C7 C8 S2 109.5(3) . . ?
C9 C8 S2 117.8(3) . . ?
C10 C9 C8 129.1(3) . . ?
C10 C9 S3 111.4(3) . . ?
C8 C9 S3 119.5(3) . . ?
C9 C10 C11 111.0(4) . . ?
C9 C10 P2 123.2(3) . . ?
C11 C10 P2 125.4(3) . . ?
C12 C11 C10 113.6(4) . . ?
C12 C11 H11 123.2 . . ?
C10 C11 H11 123.2 . . ?
C11 C12 S3 112.3(4) . . ?
C11 C12 H12 123.9 . . ?
S3 C12 H12 123.9 . . ?
N1 C13 C14 121.8(4) . . ?
N1 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
C15 C14 C13 119.5(4) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C16 C15 C14 119.5(4) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 119.1(4) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
N1 C17 C16 121.2(3) . . ?
N1 C17 C18 114.8(3) . . ?
C16 C17 C18 123.9(3) . . ?
N2 C18 C19 121.2(3) . . ?
N2 C18 C17 115.2(3) . . ?
C19 C18 C17 123.5(3) . . ?
C20 C19 C18 119.6(4) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C21 C20 C19 118.9(4) . . ?
C21 C20 H20 120.6 . . ?
C19 C20 H20 120.6 . . ?
C22 C21 C20 119.1(4) . . ?
C22 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
N2 C22 C21 123.0(4) . . ?
N2 C22 H22 118.5 . . ?
C21 C22 H22 118.5 . . ?
C28 C23 C24 118.3(3) . . ?
C28 C23 P1 123.5(3) . . ?
C24 C23 P1 118.1(3) . . ?
C25 C24 C23 120.8(4) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C26 C25 C24 120.4(4) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C27 C26 C25 119.8(4) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C26 C27 C28 120.3(4) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C23 C28 C27 120.5(3) . . ?
C23 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C30 C29 C34 118.0(3) . . ?
C30 C29 P1 121.6(3) . . ?
C34 C29 P1 120.2(3) . . ?
C31 C30 C29 120.9(4) . . ?
C31 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
C30 C31 C32 120.0(4) . . ?
C30 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C33 C32 C31 119.9(4) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 120.5(4) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
C33 C34 C29 120.5(4) . . ?
C33 C34 H34 119.7 . . ?
C29 C34 H34 119.7 . . ?
C36 C35 C40 118.6(4) . . ?
C36 C35 P2 118.7(3) . . ?
C40 C35 P2 122.2(3) . . ?
C37 C36 C35 120.7(4) . . ?
C37 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C38 C37 C36 120.4(4) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
C37 C38 C39 120.1(4) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
C38 C39 C40 120.4(4) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C35 C40 C39 119.8(4) . . ?
C35 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C42 C41 C46 118.4(4) . . ?
C42 C41 P2 119.5(3) . . ?
C46 C41 P2 121.6(3) . . ?
C41 C42 C43 120.5(4) . . ?
C41 C42 H42 119.8 . . ?
C43 C42 H42 119.8 . . ?
C42 C43 C44 119.9(5) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C45 C44 C43 119.8(4) . . ?
C45 C44 H44 120.1 . . ?
C43 C44 H44 120.1 . . ?
C44 C45 C46 120.2(5) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C41 121.2(4) . . ?
C45 C46 H46 119.4 . . ?
C41 C46 H46 119.4 . . ?
C48 C47 S4 112.5(4) . . ?
C48 C47 H47 123.8 . . ?
S4 C47 H47 123.8 . . ?
C47 C48 C49 112.8(4) . . ?
C47 C48 H48 123.6 . . ?
C49 C48 H48 123.6 . . ?
C50 C49 C48 111.2(4) . . ?
C50 C49 P3 124.2(3) . . ?
C48 C49 P3 124.2(4) . . ?
C49 C50 C51 128.7(3) . . ?
C49 C50 S4 111.7(3) . . ?
C51 C50 S4 119.5(3) . . ?
C52 C51 C50 132.7(4) . . ?
C52 C51 S5 109.3(3) . . ?
C50 C51 S5 117.8(3) . . ?
C51 C52 C53 113.6(4) . . ?
C51 C52 H52 123.2 . . ?
C53 C52 H52 123.2 . . ?
C54 C53 C52 114.6(4) . . ?
C54 C53 H53 122.7 . . ?
C52 C53 H53 122.7 . . ?
C53 C54 C55 130.6(4) . . ?
C53 C54 S5 109.1(3) . . ?
C55 C54 S5 120.3(3) . . ?
C56 C55 C54 130.0(3) . . ?
C56 C55 S6 110.9(3) . . ?
C54 C55 S6 119.0(3) . . ?
C55 C56 C57 110.3(4) . . ?
C55 C56 P4 125.1(3) . . ?
C57 C56 P4 124.3(4) . . ?
C58 C57 C56 114.5(5) . . ?
C58 C57 H57 122.7 . . ?
C56 C57 H57 122.7 . . ?
C57 C58 S6 111.9(4) . . ?
C57 C58 H58 124.1 . . ?
S6 C58 H58 124.1 . . ?
N3 C59 C60 123.3(4) . . ?
N3 C59 H59 118.4 . . ?
C60 C59 H59 118.4 . . ?
C61 C60 C59 118.6(4) . . ?
C61 C60 H60 120.7 . . ?
C59 C60 H60 120.7 . . ?
C60 C61 C62 119.3(3) . . ?
C60 C61 H61 120.4 . . ?
C62 C61 H61 120.4 . . ?
C61 C62 C63 119.7(4) . . ?
C61 C62 H62 120.1 . . ?
C63 C62 H62 120.1 . . ?
N3 C63 C62 120.9(3) . . ?
N3 C63 C64 114.6(3) . . ?
C62 C63 C64 124.4(3) . . ?
N4 C64 C65 121.3(3) . . ?
N4 C64 C63 115.1(3) . . ?
C65 C64 C63 123.5(3) . . ?
C66 C65 C64 119.4(4) . . ?
C66 C65 H65 120.3 . . ?
C64 C65 H65 120.3 . . ?
C65 C66 C67 119.6(3) . . ?
C65 C66 H66 120.2 . . ?
C67 C66 H66 120.2 . . ?
C68 C67 C66 119.0(3) . . ?
C68 C67 H67 120.5 . . ?
C66 C67 H67 120.5 . . ?
N4 C68 C67 122.7(4) . . ?
N4 C68 H68 118.7 . . ?
C67 C68 H68 118.7 . . ?
C74 C69 C70 119.4(4) . . ?
C74 C69 P3 120.8(3) . . ?
C70 C69 P3 119.6(3) . . ?
C71 C70 C69 120.0(4) . . ?
C71 C70 H70 120.0 . . ?
C69 C70 H70 120.0 . . ?
C72 C71 C70 119.7(5) . . ?
C72 C71 H71 120.2 . . ?
C70 C71 H71 120.2 . . ?
C71 C72 C73 120.4(5) . . ?
C71 C72 H72 119.8 . . ?
C73 C72 H72 119.8 . . ?
C72 C73 C74 120.4(5) . . ?
C72 C73 H73 119.8 . . ?
C74 C73 H73 119.8 . . ?
C69 C74 C73 120.1(4) . . ?
C69 C74 H74 119.9 . . ?
C73 C74 H74 119.9 . . ?
C47 S4 C50 91.8(2) . . ?
C54 S5 C51 92.48(19) . . ?
C54 S5 Ru2 117.01(14) . . ?
C51 S5 Ru2 117.16(14) . . ?
C58 S6 C55 92.1(2) . . ?
C76 C75 C80 118.9(4) . . ?
C76 C75 P3 119.1(3) . . ?
C80 C75 P3 121.4(3) . . ?
C75 C76 C77 120.2(4) . . ?
C75 C76 H76 119.9 . . ?
C77 C76 H76 119.9 . . ?
C78 C77 C76 120.4(5) . . ?
C78 C77 H77 119.8 . . ?
C76 C77 H77 119.8 . . ?
C79 C78 C77 119.7(4) . . ?
C79 C78 H78 120.1 . . ?
C77 C78 H78 120.1 . . ?
C78 C79 C80 121.0(4) . . ?
C78 C79 H79 119.5 . . ?
C80 C79 H79 119.5 . . ?
C79 C80 C75 119.7(4) . . ?
C79 C80 H80 120.1 . . ?
C75 C80 H80 120.1 . . ?
C82 C81 C86 118.3(3) . . ?
C82 C81 P4 117.3(3) . . ?
C86 C81 P4 124.4(3) . . ?
C83 C82 C81 120.6(3) . . ?
C83 C82 H82 119.7 . . ?
C81 C82 H82 119.7 . . ?
C84 C83 C82 120.3(3) . . ?
C84 C83 H83 119.8 . . ?
C82 C83 H83 119.8 . . ?
C85 C84 C83 119.7(3) . . ?
C85 C84 H84 120.2 . . ?
C83 C84 H84 120.2 . . ?
C84 C85 C86 120.2(3) . . ?
C84 C85 H85 119.9 . . ?
C86 C85 H85 119.9 . . ?
C85 C86 C81 120.9(3) . . ?
C85 C86 H86 119.6 . . ?
C81 C86 H86 119.6 . . ?
C92 C87 C88 118.6(3) . . ?
C92 C87 P4 119.9(3) . . ?
C88 C87 P4 120.8(3) . . ?
C89 C88 C87 120.5(3) . . ?
C89 C88 H88 119.8 . . ?
C87 C88 H88 119.8 . . ?
C90 C89 C88 120.3(4) . . ?
C90 C89 H89 119.9 . . ?
C88 C89 H89 119.9 . . ?
C91 C90 C89 119.7(3) . . ?
C91 C90 H90 120.1 . . ?
C89 C90 H90 120.1 . . ?
C90 C91 C92 120.7(4) . . ?
C90 C91 H91 119.7 . . ?
C92 C91 H91 119.7 . . ?
C91 C92 C87 120.2(4) . . ?
C91 C92 H92 119.9 . . ?
C87 C92 H92 119.9 . . ?
C13 N1 C17 118.8(3) . . ?
C13 N1 Ru1 125.3(2) . . ?
C17 N1 Ru1 115.8(2) . . ?
C22 N2 C18 118.2(3) . . ?
C22 N2 Ru1 126.1(2) . . ?
C18 N2 Ru1 115.8(2) . . ?
C59 N3 C63 118.2(3) . . ?
C59 N3 Ru2 125.8(2) . . ?
C63 N3 Ru2 115.9(2) . . ?
C68 N4 C64 118.0(3) . . ?
C68 N4 Ru2 126.2(2) . . ?
C64 N4 Ru2 115.7(2) . . ?
C1 S1 C4 92.4(2) . . ?
C8 S2 C5 92.99(18) . . ?
C8 S2 Ru1 117.61(12) . . ?
C5 S2 Ru1 116.73(13) . . ?
C12 S3 C9 91.7(2) . . ?
N2 Ru1 N1 78.29(11) . . ?
N2 Ru1 S2 96.28(8) . . ?
N1 Ru1 S2 173.64(8) . . ?
N2 Ru1 S2B 169.0(11) . . ?
N1 Ru1 S2B 100.8(17) . . ?
S2 Ru1 S2B 85.2(17) . . ?
N2 Ru1 P1 93.85(8) . . ?
N1 Ru1 P1 93.06(8) . . ?
S2 Ru1 P1 83.94(3) . . ?
S2B Ru1 P1 97.1(11) . . ?
N2 Ru1 P2 87.57(8) . . ?
N1 Ru1 P2 91.10(8) . . ?
S2 Ru1 P2 91.98(3) . . ?
S2B Ru1 P2 81.5(12) . . ?
P1 Ru1 P2 175.80(3) . . ?
N2 Ru1 Cl1 174.91(8) . . ?
N1 Ru1 Cl1 96.78(8) . . ?
S2 Ru1 Cl1 88.56(3) . . ?
S2B Ru1 Cl1 12.9(14) . . ?
P1 Ru1 Cl1 85.08(4) . . ?
P2 Ru1 Cl1 93.86(4) . . ?
N4 Ru2 N3 78.48(10) . . ?
N4 Ru2 S5B 173.4(3) . . ?
N3 Ru2 S5B 99.6(3) . . ?
N4 Ru2 S5 98.17(8) . . ?
N3 Ru2 S5 175.22(8) . . ?
S5B Ru2 S5 84.1(3) . . ?
N4 Ru2 P4 91.42(8) . . ?
N3 Ru2 P4 94.29(8) . . ?
S5B Ru2 P4 95.0(3) . . ?
S5 Ru2 P4 82.32(4) . . ?
N4 Ru2 Cl2B 91.7(3) . . ?
N3 Ru2 Cl2B 168.7(3) . . ?
S5B Ru2 Cl2B 89.5(4) . . ?
S5 Ru2 Cl2B 11.1(2) . . ?
P4 Ru2 Cl2B 91.4(2) . . ?
N4 Ru2 P3 87.99(8) . . ?
N3 Ru2 P3 91.04(8) . . ?
S5B Ru2 P3 85.8(3) . . ?
S5 Ru2 P3 92.26(4) . . ?
P4 Ru2 P3 174.41(3) . . ?
Cl2B Ru2 P3 83.0(2) . . ?
N4 Ru2 Cl2 173.03(8) . . ?
N3 Ru2 Cl2 95.04(8) . . ?
S5B Ru2 Cl2 10.0(2) . . ?
S5 Ru2 Cl2 88.14(5) . . ?
P4 Ru2 Cl2 86.45(4) . . ?
Cl2B Ru2 Cl2 95.0(3) . . ?
P3 Ru2 Cl2 94.77(4) . . ?
C3B P1 C3 12(2) . . ?
C3B P1 C23 102(4) . . ?
C3 P1 C23 103.4(2) . . ?
C3B P1 C29 113(3) . . ?
C3 P1 C29 101.76(16) . . ?
C23 P1 C29 106.79(15) . . ?
C3B P1 Ru1 105.0(15) . . ?
C3 P1 Ru1 113.99(14) . . ?
C23 P1 Ru1 115.10(11) . . ?
C29 P1 Ru1 114.36(11) . . ?
C10 P2 C41 103.46(19) . . ?
C10 P2 C35 105.71(18) . . ?
C41 P2 C35 100.83(18) . . ?
C10 P2 C10B 93(2) . . ?
C41 P2 C10B 12(2) . . ?
C35 P2 C10B 99.4(14) . . ?
C10 P2 C41B 12.1(16) . . ?
C41 P2 C41B 103.5(13) . . ?
C35 P2 C41B 93.9(15) . . ?
C10B P2 C41B 92(3) . . ?
C10 P2 Ru1 112.65(13) . . ?
C41 P2 Ru1 121.08(13) . . ?
C35 P2 Ru1 111.50(11) . . ?
C10B P2 Ru1 131.2(14) . . ?
C41B P2 Ru1 121.1(14) . . ?
C69B P3 C75 90.9(6) . . ?
C69B P3 C69 95.6(6) . . ?
C75 P3 C69 101.64(16) . . ?
C69B P3 C49 18.8(6) . . ?
C75 P3 C49 105.52(19) . . ?
C69 P3 C49 103.73(18) . . ?
C69B P3 Ru2 129.7(6) . . ?
C75 P3 Ru2 110.96(11) . . ?
C69 P3 Ru2 121.35(12) . . ?
C49 P3 Ru2 112.10(15) . . ?
C56 P4 C81 102.02(15) . . ?
C56 P4 C87 103.14(16) . . ?
C81 P4 C87 107.96(15) . . ?
C56 P4 Ru2 114.26(12) . . ?
C81 P4 Ru2 117.43(12) . . ?
C87 P4 Ru2 110.76(11) . . ?
F4 P5 F2 91.6(2) . . ?
F4 P5 F5 89.88(16) . . ?
F2 P5 F5 89.25(18) . . ?
F4 P5 F1 89.37(19) . . ?
F2 P5 F1 179.0(2) . . ?
F5 P5 F1 90.53(18) . . ?
F4 P5 F6 179.1(2) . . ?
F2 P5 F6 89.4(2) . . ?
F5 P5 F6 90.10(16) . . ?
F1 P5 F6 89.68(19) . . ?
F4 P5 F3 90.61(15) . . ?
F2 P5 F3 90.10(16) . . ?
F5 P5 F3 179.20(18) . . ?
F1 P5 F3 90.11(17) . . ?
F6 P5 F3 89.42(15) . . ?
F8 P6 F10 91.70(18) . . ?
F8 P6 F11 90.86(17) . . ?
F10 P6 F11 90.68(15) . . ?
F8 P6 F7 179.35(19) . . ?
F10 P6 F7 88.94(18) . . ?
F11 P6 F7 89.01(17) . . ?
F8 P6 F9 90.42(17) . . ?
F10 P6 F9 90.29(15) . . ?
F11 P6 F9 178.37(18) . . ?
F7 P6 F9 89.70(17) . . ?
F8 P6 F12 88.57(16) . . ?
F10 P6 F12 179.45(19) . . ?
F11 P6 F12 89.79(15) . . ?
F7 P6 F12 90.80(17) . . ?
F9 P6 F12 89.23(14) . . ?
C47B S4B C50B 91.3(10) . . ?
C51B S5B C54B 95.4(9) . . ?
C51B S5B Ru2 125.0(9) . . ?
C54B S5B Ru2 112.7(9) . . ?
C48B C47B S4B 111.3(18) . . ?
C48B C47B H47B 124.4 . . ?
S4B C47B H47B 124.4 . . ?
C47B C48B H48B 123.0 . . ?
C51B C50B S4B 118.7(14) . . ?
C52B C51B C50B 131.4(19) . . ?
C52B C51B S5B 109.0(12) . . ?
C50B C51B S5B 119.6(16) . . ?
C51B C52B C53B 112.7(15) . . ?
C51B C52B H52B 123.6 . . ?
C53B C52B H52B 123.6 . . ?
C54B C53B C52B 116.7(16) . . ?
C54B C53B H53B 121.6 . . ?
C52B C53B H53B 121.6 . . ?
C53B C54B C55B 134(2) . . ?
C53B C54B S5B 105.5(12) . . ?
C55B C54B S5B 119.9(16) . . ?
C54B C55B S6B 110.9(14) . . ?
C58B C57B H57B 124.3 . . ?
C57B C58B S6B 112(2) . . ?
C57B C58B H58B 124.2 . . ?
S6B C58B H58B 124.2 . . ?
C58B S6B C55B 91.1(11) . . ?
C70B C69B C74B 120.0 . . ?
C70B C69B P3 124.8(10) . . ?
C74B C69B P3 115.2(10) . . ?
C69B C70B C71B 120.0 . . ?
C69B C70B H70B 120.0 . . ?
C71B C70B H70B 120.0 . . ?
C72B C71B C70B 120.0 . . ?
C72B C71B H71B 120.0 . . ?
C70B C71B H71B 120.0 . . ?
C71B C72B C73B 120.0 . . ?
C71B C72B H72B 120.0 . . ?
C73B C72B H72B 120.0 . . ?
C74B C73B C72B 120.0 . . ?
C74B C73B H73B 120.0 . . ?
C72B C73B H73B 120.0 . . ?
C73B C74B C69B 120.0 . . ?
C73B C74B H74B 120.0 . . ?
C69B C74B H74B 120.0 . . ?
C42B C41B C46B 120.0 . . ?
C42B C41B P2 121(2) . . ?
C46B C41B P2 118(2) . . ?
C43B C42B C41B 120.0 . . ?
C43B C42B H42B 120.0 . . ?
C41B C42B H42B 120.0 . . ?
C44B C43B C42B 120.0 . . ?
C44B C43B H43B 120.0 . . ?
C42B C43B H43B 120.0 . . ?
C45B C44B C43B 120.0 . . ?
C45B C44B H44B 120.0 . . ?
C43B C44B H44B 120.0 . . ?
C44B C45B C46B 120.0 . . ?
C44B C45B H45B 120.0 . . ?
C46B C45B H45B 120.0 . . ?
C45B C46B C41B 120.0 . . ?
C45B C46B H46B 120.0 . . ?
C41B C46B H46B 120.0 . . ?
C1B S1B C4B 88(2) . . ?
C8B S2B C5B 94.3(18) . . ?
C8B S2B Ru1 124(4) . . ?
C5B S2B Ru1 111(4) . . ?
C9B S3B C12B 91.7(12) . . ?
C2B C1B S1B 112(3) . . ?
C2B C1B H1B 124.4 . . ?
S1B C1B H1B 124.0 . . ?
C1B C2B C3B 112(2) . . ?
C1B C2B H2B 123.7 . . ?
C3B C2B H2B 124.0 . . ?
C4B C3B C2B 112(2) . . ?
C4B C3B P1 133(4) . . ?
C2B C3B P1 110(4) . . ?
C3B C4B C5B 130(3) . . ?
C3B C4B S1B 108(3) . . ?
C5B C4B S1B 119(3) . . ?
C6B C5B C4B 130(3) . . ?
C6B C5B S2B 109(2) . . ?
C4B C5B S2B 120(3) . . ?
C5B C6B C7B 113(2) . . ?
C5B C6B H6B 123.8 . . ?
C7B C6B H6B 123.6 . . ?
C8B C7B C6B 113(2) . . ?
C8B C7B H7B 123.2 . . ?
C6B C7B H7B 123.3 . . ?
C7B C8B C9B 129(3) . . ?
C7B C8B S2B 109(2) . . ?
C9B C8B S2B 122(3) . . ?
C10B C9B C8B 129(3) . . ?
C10B C9B S3B 111.4(15) . . ?
C8B C9B S3B 118(2) . . ?
C9B C10B C11B 110.5(16) . . ?
C9B C10B P2 112(2) . . ?
C11B C10B P2 135(2) . . ?
C12B C11B C10B 112.8(16) . . ?
C12B C11B H11B 123.6 . . ?
C10B C11B H11B 123.6 . . ?
C11B C12B S3B 111.1(16) . . ?
C11B C12B H12B 124.5 . . ?
S3B C12B H12B 124.5 . . ?
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
C1 C2 1.366(6) . ?
C1 S1 1.695(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.433(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.390(6) . ?
C3 P1 1.821(4) . ?
C4 C5 1.443(5) . ?
C4 S1 1.731(4) . ?
C5 C6 1.367(5) . ?
C5 S2 1.756(4) . ?
C6 C7 1.426(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.360(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.448(5) . ?
C8 S2 1.738(4) . ?
C9 C10 1.388(6) . ?
C9 S3 1.727(4) . ?
C10 C11 1.428(6) . ?
C10 P2 1.822(4) . ?
C11 C12 1.348(6) . ?
C11 H11 0.9500 . ?
C12 S3 1.708(6) . ?
C12 H12 0.9500 . ?
C13 N1 1.346(4) . ?
C13 C14 1.380(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.377(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.372(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.395(5) . ?
C16 H16 0.9500 . ?
C17 N1 1.360(4) . ?
C17 C18 1.455(5) . ?
C18 N2 1.368(4) . ?
C18 C19 1.392(5) . ?
C19 C20 1.386(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.383(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.382(5) . ?
C21 H21 0.9500 . ?
C22 N2 1.342(4) . ?
C22 H22 0.9500 . ?
C23 C28 1.385(5) . ?
C23 C24 1.398(5) . ?
C23 P1 1.830(3) . ?
C24 C25 1.379(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.375(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.371(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.396(5) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.398(5) . ?
C29 C34 1.398(5) . ?
C29 P1 1.833(3) . ?
C30 C31 1.384(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.381(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.373(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.385(5) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C36 1.392(5) . ?
C35 C40 1.394(5) . ?
C35 P2 1.836(4) . ?
C36 C37 1.387(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.362(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.376(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.397(6) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C42 1.380(6) . ?
C41 C46 1.385(5) . ?
C41 P2 1.831(4) . ?
C42 C43 1.386(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.387(7) . ?
C43 H43 0.9500 . ?
C44 C45 1.360(7) . ?
C44 H44 0.9500 . ?
C45 C46 1.375(6) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.362(6) . ?
C47 S4 1.697(6) . ?
C47 H47 0.9500 . ?
C48 C49 1.434(6) . ?
C48 H48 0.9500 . ?
C49 C50 1.379(6) . ?
C49 P3 1.837(4) . ?
C50 C51 1.447(6) . ?
C50 S4 1.728(4) . ?
C51 C52 1.364(6) . ?
C51 S5 1.753(4) . ?
C52 C53 1.416(6) . ?
C52 H52 0.9500 . ?
C53 C54 1.360(5) . ?
C53 H53 0.9500 . ?
C54 C55 1.447(5) . ?
C54 S5 1.748(4) . ?
C55 C56 1.385(5) . ?
C55 S6 1.735(4) . ?
C56 C57 1.408(6) . ?
C56 P4 1.824(3) . ?
C57 C58 1.355(6) . ?
C57 H57 0.9500 . ?
C58 S6 1.673(8) . ?
C58 H58 0.9500 . ?
C59 N3 1.344(4) . ?
C59 C60 1.376(5) . ?
C59 H59 0.9500 . ?
C60 C61 1.381(6) . ?
C60 H60 0.9500 . ?
C61 C62 1.379(5) . ?
C61 H61 0.9500 . ?
C62 C63 1.390(5) . ?
C62 H62 0.9500 . ?
C63 N3 1.364(4) . ?
C63 C64 1.466(5) . ?
C64 N4 1.368(4) . ?
C64 C65 1.392(5) . ?
C65 C66 1.374(5) . ?
C65 H65 0.9500 . ?
C66 C67 1.377(6) . ?
C66 H66 0.9500 . ?
C67 C68 1.382(5) . ?
C67 H67 0.9500 . ?
C68 N4 1.349(4) . ?
C68 H68 0.9500 . ?
C69 C74 1.370(5) . ?
C69 C70 1.393(5) . ?
C69 P3 1.838(3) . ?
C70 C71 1.390(6) . ?
C70 H70 0.9500 . ?
C71 C72 1.370(8) . ?
C71 H71 0.9500 . ?
C72 C73 1.364(8) . ?
C72 H72 0.9500 . ?
C73 C74 1.387(6) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
S5 Ru2 2.2915(12) . ?
C75 C76 1.377(5) . ?
C75 C80 1.400(5) . ?
C75 P3 1.832(4) . ?
C76 C77 1.398(6) . ?
C76 H76 0.9500 . ?
C77 C78 1.370(6) . ?
C77 H77 0.9500 . ?
C78 C79 1.362(7) . ?
C78 H78 0.9500 . ?
C79 C80 1.390(6) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C82 1.394(5) . ?
C81 C86 1.390(5) . ?
C81 P4 1.829(3) . ?
C82 C83 1.386(5) . ?
C82 H82 0.9500 . ?
C83 C84 1.380(5) . ?
C83 H83 0.9500 . ?
C84 C85 1.378(5) . ?
C84 H84 0.9500 . ?
C85 C86 1.386(5) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 C92 1.394(5) . ?
C87 C88 1.395(5) . ?
C87 P4 1.833(3) . ?
C88 C89 1.392(5) . ?
C88 H88 0.9500 . ?
C89 C90 1.378(6) . ?
C89 H89 0.9500 . ?
C90 C91 1.377(6) . ?
C90 H90 0.9500 . ?
C91 C92 1.389(5) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
N1 Ru1 2.075(3) . ?
N2 Ru1 2.061(3) . ?
N3 Ru2 2.071(3) . ?
N4 Ru2 2.063(3) . ?
F1 P5 1.581(3) . ?
F2 P5 1.572(3) . ?
F3 P5 1.596(3) . ?
F4 P5 1.571(3) . ?
F5 P5 1.581(3) . ?
F6 P5 1.589(3) . ?
F7 P6 1.588(3) . ?
F8 P6 1.573(3) . ?
F9 P6 1.591(3) . ?
F10 P6 1.584(3) . ?
F11 P6 1.588(3) . ?
F12 P6 1.592(2) . ?
S2 Ru1 2.2820(9) . ?
Ru1 S2B 2.27(7) . ?
Ru1 P1 2.3675(10) . ?
Ru1 P2 2.3968(10) . ?
Ru1 Cl1 2.4079(10) . ?
Ru2 S5B 2.211(10) . ?
Ru2 P4 2.3720(10) . ?
Ru2 Cl2B 2.384(11) . ?
Ru2 P3 2.4005(10) . ?
Ru2 Cl2 2.4279(13) . ?
P1 C3B 1.78(6) . ?
P2 C10B 1.88(3) . ?
P2 C41B 1.96(3) . ?
P3 C69B 1.837(13) . ?
S4B C47B 1.71(3) . ?
S4B C50B 1.75(2) . ?
S5B C51B 1.71(2) . ?
S5B C54B 1.75(2) . ?
C47B C48B 1.370(19) . ?
C47B H47B 0.9500 . ?
C48B H48B 0.9500 . ?
C50B C51B 1.450(17) . ?
C51B C52B 1.370(13) . ?
C52B C53B 1.408(13) . ?
C52B H52B 0.9500 . ?
C53B C54B 1.382(17) . ?
C53B H53B 0.9500 . ?
C54B C55B 1.456(17) . ?
C55B S6B 1.82(3) . ?
C57B C58B 1.359(18) . ?
C57B H57B 0.9500 . ?
C58B S6B 1.66(4) . ?
C58B H58B 0.9500 . ?
C69B C70B 1.3900 . ?
C69B C74B 1.3900 . ?
C70B C71B 1.3900 . ?
C70B H70B 0.9500 . ?
C71B C72B 1.3900 . ?
C71B H71B 0.9500 . ?
C72B C73B 1.3900 . ?
C72B H72B 0.9500 . ?
C73B C74B 1.3900 . ?
C73B H73B 0.9500 . ?
C74B H74B 0.9500 . ?
C41B C42B 1.3900 . ?
C41B C46B 1.3900 . ?
C42B C43B 1.3900 . ?
C42B H42B 0.9500 . ?
C43B C44B 1.3900 . ?
C43B H43B 0.9500 . ?
C44B C45B 1.3900 . ?
C44B H44B 0.9500 . ?
C45B C46B 1.3900 . ?
C45B H45B 0.9500 . ?
C46B H46B 0.9500 . ?
S1B C1B 1.74(6) . ?
S1B C4B 1.82(5) . ?
S2B C8B 1.70(2) . ?
S2B C5B 1.71(2) . ?
S3B C9B 1.703(18) . ?
S3B C12B 1.705(19) . ?
C1B C2B 1.37(2) . ?
C1B H1B 0.9500 . ?
C2B C3B 1.430(19) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.39(2) . ?
C4B C5B 1.444(19) . ?
C5B C6B 1.37(2) . ?
C6B C7B 1.43(2) . ?
C6B H6B 0.9500 . ?
C7B C8B 1.37(2) . ?
C7B H7B 0.9500 . ?
C8B C9B 1.450(18) . ?
C9B C10B 1.387(19) . ?
C10B C11B 1.430(19) . ?
C11B C12B 1.37(2) . ?
C11B H11B 0.9500 . ?
C12B H12B 0.9500 . ?
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
S1 C1 C2 C3 0.7(6) . . . . ?
C1 C2 C3 C4 -0.9(6) . . . . ?
C1 C2 C3 P1 178.4(3) . . . . ?
C2 C3 C4 C5 -176.0(4) . . . . ?
P1 C3 C4 C5 4.7(6) . . . . ?
C2 C3 C4 S1 0.7(4) . . . . ?
P1 C3 C4 S1 -178.6(2) . . . . ?
C3 C4 C5 C6 165.0(4) . . . . ?
S1 C4 C5 C6 -11.5(6) . . . . ?
C3 C4 C5 S2 -11.5(6) . . . . ?
S1 C4 C5 S2 172.0(2) . . . . ?
C4 C5 C6 C7 -170.7(4) . . . . ?
S2 C5 C6 C7 6.1(4) . . . . ?
C5 C6 C7 C8 0.0(5) . . . . ?
C6 C7 C8 C9 178.3(4) . . . . ?
C6 C7 C8 S2 -6.2(4) . . . . ?
C7 C8 C9 C10 -140.2(5) . . . . ?
S2 C8 C9 C10 44.6(6) . . . . ?
C7 C8 C9 S3 41.4(6) . . . . ?
S2 C8 C9 S3 -133.8(3) . . . . ?
C8 C9 C10 C11 -178.0(4) . . . . ?
S3 C9 C10 C11 0.5(5) . . . . ?
C8 C9 C10 P2 8.3(6) . . . . ?
S3 C9 C10 P2 -173.2(2) . . . . ?
C9 C10 C11 C12 -0.4(6) . . . . ?
P2 C10 C11 C12 173.1(4) . . . . ?
C10 C11 C12 S3 0.1(7) . . . . ?
N1 C13 C14 C15 0.4(6) . . . . ?
C13 C14 C15 C16 1.0(6) . . . . ?
C14 C15 C16 C17 -1.2(6) . . . . ?
C15 C16 C17 N1 0.2(5) . . . . ?
C15 C16 C17 C18 -178.4(3) . . . . ?
N1 C17 C18 N2 -2.1(4) . . . . ?
C16 C17 C18 N2 176.5(3) . . . . ?
N1 C17 C18 C19 178.2(3) . . . . ?
C16 C17 C18 C19 -3.2(5) . . . . ?
N2 C18 C19 C20 -1.7(6) . . . . ?
C17 C18 C19 C20 178.0(4) . . . . ?
C18 C19 C20 C21 0.0(6) . . . . ?
C19 C20 C21 C22 1.3(7) . . . . ?
C20 C21 C22 N2 -0.9(6) . . . . ?
C28 C23 C24 C25 -1.0(6) . . . . ?
P1 C23 C24 C25 175.8(3) . . . . ?
C23 C24 C25 C26 0.7(6) . . . . ?
C24 C25 C26 C27 0.1(6) . . . . ?
C25 C26 C27 C28 -0.5(6) . . . . ?
C24 C23 C28 C27 0.5(5) . . . . ?
P1 C23 C28 C27 -176.0(3) . . . . ?
C26 C27 C28 C23 0.2(6) . . . . ?
C34 C29 C30 C31 0.5(5) . . . . ?
P1 C29 C30 C31 -174.0(3) . . . . ?
C29 C30 C31 C32 0.7(6) . . . . ?
C30 C31 C32 C33 -1.5(6) . . . . ?
C31 C32 C33 C34 1.1(6) . . . . ?
C32 C33 C34 C29 0.1(6) . . . . ?
C30 C29 C34 C33 -0.9(5) . . . . ?
P1 C29 C34 C33 173.7(3) . . . . ?
C40 C35 C36 C37 0.7(6) . . . . ?
P2 C35 C36 C37 -171.3(3) . . . . ?
C35 C36 C37 C38 -0.3(6) . . . . ?
C36 C37 C38 C39 -0.6(6) . . . . ?
C37 C38 C39 C40 1.2(7) . . . . ?
C36 C35 C40 C39 -0.1(6) . . . . ?
P2 C35 C40 C39 171.6(3) . . . . ?
C38 C39 C40 C35 -0.8(6) . . . . ?
C46 C41 C42 C43 -0.4(7) . . . . ?
P2 C41 C42 C43 -172.8(4) . . . . ?
C41 C42 C43 C44 -0.6(9) . . . . ?
C42 C43 C44 C45 2.3(9) . . . . ?
C43 C44 C45 C46 -2.8(9) . . . . ?
C44 C45 C46 C41 1.8(8) . . . . ?
C42 C41 C46 C45 -0.2(7) . . . . ?
P2 C41 C46 C45 172.1(4) . . . . ?
S4 C47 C48 C49 0.5(6) . . . . ?
C47 C48 C49 C50 -0.5(6) . . . . ?
C47 C48 C49 P3 -173.1(4) . . . . ?
C48 C49 C50 C51 178.0(4) . . . . ?
P3 C49 C50 C51 -9.5(6) . . . . ?
C48 C49 C50 S4 0.3(5) . . . . ?
P3 C49 C50 S4 172.9(2) . . . . ?
C49 C50 C51 C52 142.6(5) . . . . ?
S4 C50 C51 C52 -39.9(6) . . . . ?
C49 C50 C51 S5 -44.0(5) . . . . ?
S4 C50 C51 S5 133.5(3) . . . . ?
C50 C51 C52 C53 -179.4(4) . . . . ?
S5 C51 C52 C53 6.8(5) . . . . ?
C51 C52 C53 C54 -0.1(6) . . . . ?
C52 C53 C54 C55 172.5(4) . . . . ?
C52 C53 C54 S5 -6.7(5) . . . . ?
C53 C54 C55 C56 -167.0(4) . . . . ?
S5 C54 C55 C56 12.1(6) . . . . ?
C53 C54 C55 S6 9.2(6) . . . . ?
S5 C54 C55 S6 -171.7(2) . . . . ?
C54 C55 C56 C57 -178.4(6) . . . . ?
S6 C55 C56 C57 5.2(7) . . . . ?
C54 C55 C56 P4 -5.1(6) . . . . ?
S6 C55 C56 P4 178.5(2) . . . . ?
C55 C56 C57 C58 -4.9(11) . . . . ?
P4 C56 C57 C58 -178.3(6) . . . . ?
C56 C57 C58 S6 2.4(12) . . . . ?
N3 C59 C60 C61 -1.0(6) . . . . ?
C59 C60 C61 C62 0.3(6) . . . . ?
C60 C61 C62 C63 0.6(6) . . . . ?
C61 C62 C63 N3 -0.9(5) . . . . ?
C61 C62 C63 C64 177.2(3) . . . . ?
N3 C63 C64 N4 1.8(4) . . . . ?
C62 C63 C64 N4 -176.4(3) . . . . ?
N3 C63 C64 C65 180.0(3) . . . . ?
C62 C63 C64 C65 1.8(5) . . . . ?
N4 C64 C65 C66 2.2(5) . . . . ?
C63 C64 C65 C66 -175.9(3) . . . . ?
C64 C65 C66 C67 -1.3(6) . . . . ?
C65 C66 C67 C68 -0.2(6) . . . . ?
C66 C67 C68 N4 1.0(6) . . . . ?
C74 C69 C70 C71 0.5(7) . . . . ?
P3 C69 C70 C71 -174.1(3) . . . . ?
C69 C70 C71 C72 0.5(8) . . . . ?
C70 C71 C72 C73 -2.1(9) . . . . ?
C71 C72 C73 C74 2.6(10) . . . . ?
C70 C69 C74 C73 0.0(7) . . . . ?
P3 C69 C74 C73 174.6(4) . . . . ?
C72 C73 C74 C69 -1.5(9) . . . . ?
C48 C47 S4 C50 -0.3(4) . . . . ?
C49 C50 S4 C47 0.0(4) . . . . ?
C51 C50 S4 C47 -177.9(4) . . . . ?
C53 C54 S5 C51 8.9(3) . . . . ?
C55 C54 S5 C51 -170.4(3) . . . . ?
C53 C54 S5 Ru2 131.2(3) . . . . ?
C55 C54 S5 Ru2 -48.0(3) . . . . ?
C52 C51 S5 C54 -9.0(3) . . . . ?
C50 C51 S5 C54 176.2(3) . . . . ?
C52 C51 S5 Ru2 -131.2(3) . . . . ?
C50 C51 S5 Ru2 53.9(3) . . . . ?
C57 C58 S6 C55 0.6(8) . . . . ?
C56 C55 S6 C58 -3.4(4) . . . . ?
C54 C55 S6 C58 179.7(4) . . . . ?
C80 C75 C76 C77 -1.6(6) . . . . ?
P3 C75 C76 C77 169.3(3) . . . . ?
C75 C76 C77 C78 0.5(7) . . . . ?
C76 C77 C78 C79 1.0(7) . . . . ?
C77 C78 C79 C80 -1.4(7) . . . . ?
C78 C79 C80 C75 0.3(6) . . . . ?
C76 C75 C80 C79 1.2(6) . . . . ?
P3 C75 C80 C79 -169.5(3) . . . . ?
C86 C81 C82 C83 -0.1(5) . . . . ?
P4 C81 C82 C83 -179.8(3) . . . . ?
C81 C82 C83 C84 0.1(6) . . . . ?
C82 C83 C84 C85 0.4(6) . . . . ?
C83 C84 C85 C86 -1.0(6) . . . . ?
C84 C85 C86 C81 0.9(6) . . . . ?
C82 C81 C86 C85 -0.4(5) . . . . ?
P4 C81 C86 C85 179.2(3) . . . . ?
C92 C87 C88 C89 0.2(5) . . . . ?
P4 C87 C88 C89 -170.8(3) . . . . ?
C87 C88 C89 C90 1.2(5) . . . . ?
C88 C89 C90 C91 -1.7(6) . . . . ?
C89 C90 C91 C92 0.7(6) . . . . ?
C90 C91 C92 C87 0.7(6) . . . . ?
C88 C87 C92 C91 -1.2(5) . . . . ?
P4 C87 C92 C91 169.9(3) . . . . ?
C14 C13 N1 C17 -1.4(5) . . . . ?
C14 C13 N1 Ru1 176.9(3) . . . . ?
C16 C17 N1 C13 1.1(5) . . . . ?
C18 C17 N1 C13 179.8(3) . . . . ?
C16 C17 N1 Ru1 -177.3(3) . . . . ?
C18 C17 N1 Ru1 1.4(4) . . . . ?
C21 C22 N2 C18 -0.8(6) . . . . ?
C21 C22 N2 Ru1 179.8(3) . . . . ?
C19 C18 N2 C22 2.1(5) . . . . ?
C17 C18 N2 C22 -177.6(3) . . . . ?
C19 C18 N2 Ru1 -178.4(3) . . . . ?
C17 C18 N2 Ru1 1.9(4) . . . . ?
C60 C59 N3 C63 0.7(5) . . . . ?
C60 C59 N3 Ru2 -177.4(3) . . . . ?
C62 C63 N3 C59 0.3(5) . . . . ?
C64 C63 N3 C59 -178.0(3) . . . . ?
C62 C63 N3 Ru2 178.6(3) . . . . ?
C64 C63 N3 Ru2 0.3(4) . . . . ?
C67 C68 N4 C64 -0.2(5) . . . . ?
C67 C68 N4 Ru2 179.7(3) . . . . ?
C65 C64 N4 C68 -1.4(5) . . . . ?
C63 C64 N4 C68 176.8(3) . . . . ?
C65 C64 N4 Ru2 178.7(3) . . . . ?
C63 C64 N4 Ru2 -3.0(4) . . . . ?
C2 C1 S1 C4 -0.2(4) . . . . ?
C3 C4 S1 C1 -0.3(3) . . . . ?
C5 C4 S1 C1 176.8(3) . . . . ?
C7 C8 S2 C5 8.2(3) . . . . ?
C9 C8 S2 C5 -175.5(3) . . . . ?
C7 C8 S2 Ru1 130.6(2) . . . . ?
C9 C8 S2 Ru1 -53.2(3) . . . . ?
C6 C5 S2 C8 -8.1(3) . . . . ?
C4 C5 S2 C8 169.0(3) . . . . ?
C6 C5 S2 Ru1 -131.2(2) . . . . ?
C4 C5 S2 Ru1 45.9(3) . . . . ?
C11 C12 S3 C9 0.2(5) . . . . ?
C10 C9 S3 C12 -0.4(4) . . . . ?
C8 C9 S3 C12 178.3(4) . . . . ?
C22 N2 Ru1 N1 178.5(3) . . . . ?
C18 N2 Ru1 N1 -0.9(2) . . . . ?
C22 N2 Ru1 S2 -4.8(3) . . . . ?
C18 N2 Ru1 S2 175.7(2) . . . . ?
C22 N2 Ru1 S2B 92(9) . . . . ?
C18 N2 Ru1 S2B -87(9) . . . . ?
C22 N2 Ru1 P1 -89.1(3) . . . . ?
C18 N2 Ru1 P1 91.4(2) . . . . ?
C22 N2 Ru1 P2 86.9(3) . . . . ?
C18 N2 Ru1 P2 -92.5(2) . . . . ?
C22 N2 Ru1 Cl1 -166.7(8) . . . . ?
C18 N2 Ru1 Cl1 13.8(11) . . . . ?
C13 N1 Ru1 N2 -178.6(3) . . . . ?
C17 N1 Ru1 N2 -0.3(2) . . . . ?
C13 N1 Ru1 S2 149.7(6) . . . . ?
C17 N1 Ru1 S2 -32.0(9) . . . . ?
C13 N1 Ru1 S2B -9.7(13) . . . . ?
C17 N1 Ru1 S2B 168.6(12) . . . . ?
C13 N1 Ru1 P1 88.1(3) . . . . ?
C17 N1 Ru1 P1 -93.6(2) . . . . ?
C13 N1 Ru1 P2 -91.3(3) . . . . ?
C17 N1 Ru1 P2 87.0(2) . . . . ?
C13 N1 Ru1 Cl1 2.7(3) . . . . ?
C17 N1 Ru1 Cl1 -179.0(2) . . . . ?
C8 S2 Ru1 N2 104.17(17) . . . . ?
C5 S2 Ru1 N2 -146.61(16) . . . . ?
C8 S2 Ru1 N1 135.3(7) . . . . ?
C5 S2 Ru1 N1 -115.5(7) . . . . ?
C8 S2 Ru1 S2B -64.9(12) . . . . ?
C5 S2 Ru1 S2B 44.3(12) . . . . ?
C8 S2 Ru1 P1 -162.61(15) . . . . ?
C5 S2 Ru1 P1 -53.39(14) . . . . ?
C8 S2 Ru1 P2 16.40(15) . . . . ?
C5 S2 Ru1 P2 125.62(14) . . . . ?
C8 S2 Ru1 Cl1 -77.41(15) . . . . ?
C5 S2 Ru1 Cl1 31.81(14) . . . . ?
C68 N4 Ru2 N3 -177.4(3) . . . . ?
C64 N4 Ru2 N3 2.4(2) . . . . ?
C68 N4 Ru2 S5B -104(2) . . . . ?
C64 N4 Ru2 S5B 76(2) . . . . ?
C68 N4 Ru2 S5 6.1(3) . . . . ?
C64 N4 Ru2 S5 -174.1(2) . . . . ?
C68 N4 Ru2 P4 88.5(3) . . . . ?
C64 N4 Ru2 P4 -91.6(2) . . . . ?
C68 N4 Ru2 Cl2B -3.0(4) . . . . ?
C64 N4 Ru2 Cl2B 176.9(3) . . . . ?
C68 N4 Ru2 P3 -85.9(3) . . . . ?
C64 N4 Ru2 P3 93.9(2) . . . . ?
C68 N4 Ru2 Cl2 160.6(6) . . . . ?
C64 N4 Ru2 Cl2 -19.5(8) . . . . ?
C59 N3 Ru2 N4 176.7(3) . . . . ?
C63 N3 Ru2 N4 -1.5(2) . . . . ?
C59 N3 Ru2 S5B 3.1(4) . . . . ?
C63 N3 Ru2 S5B -175.1(3) . . . . ?
C59 N3 Ru2 S5 -137.5(9) . . . . ?
C63 N3 Ru2 S5 44.4(11) . . . . ?
C59 N3 Ru2 P4 -92.7(3) . . . . ?
C63 N3 Ru2 P4 89.1(2) . . . . ?
C59 N3 Ru2 Cl2B 146.8(14) . . . . ?
C63 N3 Ru2 Cl2B -31.4(15) . . . . ?
C59 N3 Ru2 P3 89.0(3) . . . . ?
C63 N3 Ru2 P3 -89.2(2) . . . . ?
C59 N3 Ru2 Cl2 -5.9(3) . . . . ?
C63 N3 Ru2 Cl2 175.9(2) . . . . ?
C54 S5 Ru2 N4 145.83(17) . . . . ?
C51 S5 Ru2 N4 -105.75(18) . . . . ?
C54 S5 Ru2 N3 100.6(10) . . . . ?
C51 S5 Ru2 N3 -151.0(10) . . . . ?
C54 S5 Ru2 S5B -40.4(3) . . . . ?
C51 S5 Ru2 S5B 68.0(3) . . . . ?
C54 S5 Ru2 P4 55.48(16) . . . . ?
C51 S5 Ru2 P4 163.91(17) . . . . ?
C54 S5 Ru2 Cl2B -159.3(15) . . . . ?
C51 S5 Ru2 Cl2B -50.9(15) . . . . ?
C54 S5 Ru2 P3 -125.89(16) . . . . ?
C51 S5 Ru2 P3 -17.46(17) . . . . ?
C54 S5 Ru2 Cl2 -31.18(16) . . . . ?
C51 S5 Ru2 Cl2 77.24(17) . . . . ?
C4 C3 P1 C3B -73(17) . . . . ?
C2 C3 P1 C3B 108(17) . . . . ?
C4 C3 P1 C23 -156.0(3) . . . . ?
C2 C3 P1 C23 24.7(4) . . . . ?
C4 C3 P1 C29 93.3(3) . . . . ?
C2 C3 P1 C29 -85.9(4) . . . . ?
C4 C3 P1 Ru1 -30.3(4) . . . . ?
C2 C3 P1 Ru1 150.4(3) . . . . ?
C28 C23 P1 C3B -135.3(19) . . . . ?
C24 C23 P1 C3B 48.2(19) . . . . ?
C28 C23 P1 C3 -123.1(3) . . . . ?
C24 C23 P1 C3 60.4(3) . . . . ?
C28 C23 P1 C29 -16.2(3) . . . . ?
C24 C23 P1 C29 167.3(3) . . . . ?
C28 C23 P1 Ru1 111.9(3) . . . . ?
C24 C23 P1 Ru1 -64.6(3) . . . . ?
C30 C29 P1 C3B -8(3) . . . . ?
C34 C29 P1 C3B 178(3) . . . . ?
C30 C29 P1 C3 -10.6(3) . . . . ?
C34 C29 P1 C3 175.0(3) . . . . ?
C30 C29 P1 C23 -118.7(3) . . . . ?
C34 C29 P1 C23 66.9(3) . . . . ?
C30 C29 P1 Ru1 112.7(3) . . . . ?
C34 C29 P1 Ru1 -61.6(3) . . . . ?
N2 Ru1 P1 C3B 149(4) . . . . ?
N1 Ru1 P1 C3B -132(4) . . . . ?
S2 Ru1 P1 C3B 53(4) . . . . ?
S2B Ru1 P1 C3B -31(4) . . . . ?
P2 Ru1 P1 C3B 40(4) . . . . ?
Cl1 Ru1 P1 C3B -36(4) . . . . ?
N2 Ru1 P1 C3 140.90(19) . . . . ?
N1 Ru1 P1 C3 -140.64(19) . . . . ?
S2 Ru1 P1 C3 44.98(18) . . . . ?
S2B Ru1 P1 C3 -39.3(18) . . . . ?
P2 Ru1 P1 C3 31.3(5) . . . . ?
Cl1 Ru1 P1 C3 -44.09(18) . . . . ?
N2 Ru1 P1 C23 -99.82(14) . . . . ?
N1 Ru1 P1 C23 -21.37(14) . . . . ?
S2 Ru1 P1 C23 164.26(12) . . . . ?
S2B Ru1 P1 C23 79.9(17) . . . . ?
P2 Ru1 P1 C23 150.6(4) . . . . ?
Cl1 Ru1 P1 C23 75.19(12) . . . . ?
N2 Ru1 P1 C29 24.39(15) . . . . ?
N1 Ru1 P1 C29 102.85(14) . . . . ?
S2 Ru1 P1 C29 -71.53(12) . . . . ?
S2B Ru1 P1 C29 -155.9(17) . . . . ?
P2 Ru1 P1 C29 -85.2(5) . . . . ?
Cl1 Ru1 P1 C29 -160.60(13) . . . . ?
C9 C10 P2 C41 91.2(4) . . . . ?
C11 C10 P2 C41 -81.6(4) . . . . ?
C9 C10 P2 C35 -163.2(4) . . . . ?
C11 C10 P2 C35 23.9(5) . . . . ?
C9 C10 P2 C10B 96.1(11) . . . . ?
C11 C10 P2 C10B -76.7(11) . . . . ?
C9 C10 P2 C41B -177(6) . . . . ?
C11 C10 P2 C41B 10(6) . . . . ?
C9 C10 P2 Ru1 -41.3(4) . . . . ?
C11 C10 P2 Ru1 145.9(4) . . . . ?
C42 C41 P2 C10 -159.7(4) . . . . ?
C46 C41 P2 C10 28.1(4) . . . . ?
C42 C41 P2 C35 91.0(4) . . . . ?
C46 C41 P2 C35 -81.1(4) . . . . ?
C42 C41 P2 C10B 175(8) . . . . ?
C46 C41 P2 C10B 3(8) . . . . ?
C42 C41 P2 C41B -172.2(16) . . . . ?
C46 C41 P2 C41B 15.6(17) . . . . ?
C42 C41 P2 Ru1 -32.4(4) . . . . ?
C46 C41 P2 Ru1 155.5(3) . . . . ?
C36 C35 P2 C10 -147.6(3) . . . . ?
C40 C35 P2 C10 40.7(4) . . . . ?
C36 C35 P2 C41 -40.1(3) . . . . ?
C40 C35 P2 C41 148.2(3) . . . . ?
C36 C35 P2 C10B -52(2) . . . . ?
C40 C35 P2 C10B 136(2) . . . . ?
C36 C35 P2 C41B -144.6(13) . . . . ?
C40 C35 P2 C41B 43.7(13) . . . . ?
C36 C35 P2 Ru1 89.7(3) . . . . ?
C40 C35 P2 Ru1 -82.0(3) . . . . ?
N2 Ru1 P2 C10 -74.81(17) . . . . ?
N1 Ru1 P2 C10 -153.04(17) . . . . ?
S2 Ru1 P2 C10 21.40(16) . . . . ?
S2B Ru1 P2 C10 106.2(17) . . . . ?
P1 Ru1 P2 C10 35.0(5) . . . . ?
Cl1 Ru1 P2 C10 110.09(16) . . . . ?
N2 Ru1 P2 C41 162.10(18) . . . . ?
N1 Ru1 P2 C41 83.87(18) . . . . ?
S2 Ru1 P2 C41 -101.69(16) . . . . ?
S2B Ru1 P2 C41 -16.9(17) . . . . ?
P1 Ru1 P2 C41 -88.1(5) . . . . ?
Cl1 Ru1 P2 C41 -13.00(17) . . . . ?
N2 Ru1 P2 C35 43.85(15) . . . . ?
N1 Ru1 P2 C35 -34.38(15) . . . . ?
S2 Ru1 P2 C35 140.06(13) . . . . ?
S2B Ru1 P2 C35 -135.1(17) . . . . ?
P1 Ru1 P2 C35 153.6(4) . . . . ?
Cl1 Ru1 P2 C35 -131.25(13) . . . . ?
N2 Ru1 P2 C10B 169(3) . . . . ?
N1 Ru1 P2 C10B 91(3) . . . . ?
S2 Ru1 P2 C10B -95(3) . . . . ?
S2B Ru1 P2 C10B -10(3) . . . . ?
P1 Ru1 P2 C10B -81(3) . . . . ?
Cl1 Ru1 P2 C10B -6(3) . . . . ?
N2 Ru1 P2 C41B -65.0(17) . . . . ?
N1 Ru1 P2 C41B -143.2(17) . . . . ?
S2 Ru1 P2 C41B 31.2(17) . . . . ?
S2B Ru1 P2 C41B 116(2) . . . . ?
P1 Ru1 P2 C41B 44.8(17) . . . . ?
Cl1 Ru1 P2 C41B 119.9(17) . . . . ?
C76 C75 P3 C69B 136.9(6) . . . . ?
C80 C75 P3 C69B -52.5(6) . . . . ?
C76 C75 P3 C69 40.9(3) . . . . ?
C80 C75 P3 C69 -148.4(3) . . . . ?
C76 C75 P3 C49 148.9(3) . . . . ?
C80 C75 P3 C49 -40.4(3) . . . . ?
C76 C75 P3 Ru2 -89.5(3) . . . . ?
C80 C75 P3 Ru2 81.2(3) . . . . ?
C74 C69 P3 C69B 174.6(7) . . . . ?
C70 C69 P3 C69B -10.8(7) . . . . ?
C74 C69 P3 C75 -93.2(4) . . . . ?
C70 C69 P3 C75 81.3(3) . . . . ?
C74 C69 P3 C49 157.4(4) . . . . ?
C70 C69 P3 C49 -28.0(4) . . . . ?
C74 C69 P3 Ru2 30.4(4) . . . . ?
C70 C69 P3 Ru2 -155.1(3) . . . . ?
C50 C49 P3 C69B -158(2) . . . . ?
C48 C49 P3 C69B 14.1(18) . . . . ?
C50 C49 P3 C75 162.2(3) . . . . ?
C48 C49 P3 C75 -26.1(4) . . . . ?
C50 C49 P3 C69 -91.3(4) . . . . ?
C48 C49 P3 C69 80.3(4) . . . . ?
C50 C49 P3 Ru2 41.3(4) . . . . ?
C48 C49 P3 Ru2 -147.0(3) . . . . ?
N4 Ru2 P3 C69B 70.2(8) . . . . ?
N3 Ru2 P3 C69B 148.7(8) . . . . ?
S5B Ru2 P3 C69B -111.8(8) . . . . ?
S5 Ru2 P3 C69B -27.9(8) . . . . ?
P4 Ru2 P3 C69B -13.8(9) . . . . ?
Cl2B Ru2 P3 C69B -21.8(8) . . . . ?
Cl2 Ru2 P3 C69B -116.2(8) . . . . ?
N4 Ru2 P3 C75 -39.71(15) . . . . ?
N3 Ru2 P3 C75 38.73(15) . . . . ?
S5B Ru2 P3 C75 138.3(3) . . . . ?
S5 Ru2 P3 C75 -137.81(13) . . . . ?
P4 Ru2 P3 C75 -123.7(3) . . . . ?
Cl2B Ru2 P3 C75 -131.7(3) . . . . ?
Cl2 Ru2 P3 C75 133.87(13) . . . . ?
N4 Ru2 P3 C69 -158.82(16) . . . . ?
N3 Ru2 P3 C69 -80.38(16) . . . . ?
S5B Ru2 P3 C69 19.1(3) . . . . ?
S5 Ru2 P3 C69 103.09(14) . . . . ?
P4 Ru2 P3 C69 117.2(3) . . . . ?
Cl2B Ru2 P3 C69 109.2(3) . . . . ?
Cl2 Ru2 P3 C69 14.77(14) . . . . ?
N4 Ru2 P3 C49 77.99(17) . . . . ?
N3 Ru2 P3 C49 156.43(17) . . . . ?
S5B Ru2 P3 C49 -104.0(3) . . . . ?
S5 Ru2 P3 C49 -20.11(16) . . . . ?
P4 Ru2 P3 C49 -6.0(4) . . . . ?
Cl2B Ru2 P3 C49 -14.0(3) . . . . ?
Cl2 Ru2 P3 C49 -108.43(15) . . . . ?
C55 C56 P4 C81 159.4(3) . . . . ?
C57 C56 P4 C81 -28.1(7) . . . . ?
C55 C56 P4 C87 -88.6(3) . . . . ?
C57 C56 P4 C87 83.8(7) . . . . ?
C55 C56 P4 Ru2 31.6(3) . . . . ?
C57 C56 P4 Ru2 -155.9(7) . . . . ?
C82 C81 P4 C56 -68.7(3) . . . . ?
C86 C81 P4 C56 111.7(3) . . . . ?
C82 C81 P4 C87 -176.9(3) . . . . ?
C86 C81 P4 C87 3.5(3) . . . . ?
C82 C81 P4 Ru2 57.1(3) . . . . ?
C86 C81 P4 Ru2 -122.6(3) . . . . ?
C92 C87 P4 C56 26.0(3) . . . . ?
C88 C87 P4 C56 -163.2(3) . . . . ?
C92 C87 P4 C81 133.4(3) . . . . ?
C88 C87 P4 C81 -55.7(3) . . . . ?
C92 C87 P4 Ru2 -96.7(3) . . . . ?
C88 C87 P4 Ru2 74.2(3) . . . . ?
N4 Ru2 P4 C56 -144.44(14) . . . . ?
N3 Ru2 P4 C56 137.01(14) . . . . ?
S5B Ru2 P4 C56 37.0(3) . . . . ?
S5 Ru2 P4 C56 -46.39(12) . . . . ?
Cl2B Ru2 P4 C56 -52.7(3) . . . . ?
P3 Ru2 P4 C56 -60.6(4) . . . . ?
Cl2 Ru2 P4 C56 42.21(12) . . . . ?
N4 Ru2 P4 C81 96.14(14) . . . . ?
N3 Ru2 P4 C81 17.58(14) . . . . ?
S5B Ru2 P4 C81 -82.4(3) . . . . ?
S5 Ru2 P4 C81 -165.81(13) . . . . ?
Cl2B Ru2 P4 C81 -172.1(3) . . . . ?
P3 Ru2 P4 C81 180(37) . . . . ?
Cl2 Ru2 P4 C81 -77.21(13) . . . . ?
N4 Ru2 P4 C87 -28.50(14) . . . . ?
N3 Ru2 P4 C87 -107.05(14) . . . . ?
S5B Ru2 P4 C87 152.9(3) . . . . ?
S5 Ru2 P4 C87 69.55(12) . . . . ?
Cl2B Ru2 P4 C87 63.3(3) . . . . ?
P3 Ru2 P4 C87 55.4(4) . . . . ?
Cl2 Ru2 P4 C87 158.15(12) . . . . ?
N4 Ru2 S5B C51B 34(3) . . . . ?
N3 Ru2 S5B C51B 106.2(10) . . . . ?
S5 Ru2 S5B C51B -76.9(10) . . . . ?
P4 Ru2 S5B C51B -158.6(10) . . . . ?
Cl2B Ru2 S5B C51B -67.2(11) . . . . ?
P3 Ru2 S5B C51B 15.8(10) . . . . ?
Cl2 Ru2 S5B C51B 170(2) . . . . ?
N4 Ru2 S5B C54B 149(2) . . . . ?
N3 Ru2 S5B C54B -139.1(9) . . . . ?
S5 Ru2 S5B C54B 37.8(9) . . . . ?
P4 Ru2 S5B C54B -43.9(9) . . . . ?
Cl2B Ru2 S5B C54B 47.5(9) . . . . ?
P3 Ru2 S5B C54B 130.5(9) . . . . ?
Cl2 Ru2 S5B C54B -75.4(18) . . . . ?
C50B S4B C47B C48B -8(3) . . . . ?
C47B S4B C50B C51B -178(2) . . . . ?
S4B C50B C51B C52B 39(4) . . . . ?
S4B C50B C51B S5B -140.0(18) . . . . ?
C54B S5B C51B C52B 7(2) . . . . ?
Ru2 S5B C51B C52B 129.9(18) . . . . ?
C54B S5B C51B C50B -173(2) . . . . ?
Ru2 S5B C51B C50B -51(2) . . . . ?
C50B C51B C52B C53B 173(3) . . . . ?
S5B C51B C52B C53B -7(3) . . . . ?
C51B C52B C53B C54B 4(4) . . . . ?
C52B C53B C54B C55B -173(3) . . . . ?
C52B C53B C54B S5B 2(3) . . . . ?
C51B S5B C54B C53B -5(2) . . . . ?
Ru2 S5B C54B C53B -136.6(17) . . . . ?
C51B S5B C54B C55B 171(2) . . . . ?
Ru2 S5B C54B C55B 39(2) . . . . ?
C53B C54B C55B S6B -26(4) . . . . ?
S5B C54B C55B S6B 160.0(15) . . . . ?
C57B C58B S6B C55B 6(4) . . . . ?
C54B C55B S6B C58B -159(2) . . . . ?
C75 P3 C69B C70B -97.8(12) . . . . ?
C69 P3 C69B C70B 4.0(12) . . . . ?
C49 P3 C69B C70B 121(3) . . . . ?
Ru2 P3 C69B C70B 143.6(9) . . . . ?
C75 P3 C69B C74B 81.6(10) . . . . ?
C69 P3 C69B C74B -176.6(9) . . . . ?
C49 P3 C69B C74B -59.9(18) . . . . ?
Ru2 P3 C69B C74B -37.0(13) . . . . ?
C74B C69B C70B C71B 0.0 . . . . ?
P3 C69B C70B C71B 179.4(16) . . . . ?
C69B C70B C71B C72B 0.0 . . . . ?
C70B C71B C72B C73B 0.0 . . . . ?
C71B C72B C73B C74B 0.0 . . . . ?
C72B C73B C74B C69B 0.0 . . . . ?
C70B C69B C74B C73B 0.0 . . . . ?
P3 C69B C74B C73B -179.4(14) . . . . ?
C10 P2 C41B C42B -88(7) . . . . ?
C41 P2 C41B C42B 4(3) . . . . ?
C35 P2 C41B C42B 106(3) . . . . ?
C10B P2 C41B C42B 6(3) . . . . ?
Ru1 P2 C41B C42B -136(2) . . . . ?
C10 P2 C41B C46B 96(7) . . . . ?
C41 P2 C41B C46B -172(2) . . . . ?
C35 P2 C41B C46B -70(2) . . . . ?
C10B P2 C41B C46B -170(3) . . . . ?
Ru1 P2 C41B C46B 48(3) . . . . ?
C46B C41B C42B C43B 0.0 . . . . ?
P2 C41B C42B C43B -176(4) . . . . ?
C41B C42B C43B C44B 0.0 . . . . ?
C42B C43B C44B C45B 0.0 . . . . ?
C43B C44B C45B C46B 0.0 . . . . ?
C44B C45B C46B C41B 0.0 . . . . ?
C42B C41B C46B C45B 0.0 . . . . ?
P2 C41B C46B C45B 176(4) . . . . ?
N2 Ru1 S2B C8B -26(12) . . . . ?
N1 Ru1 S2B C8B -110(4) . . . . ?
S2 Ru1 S2B C8B 72(4) . . . . ?
P1 Ru1 S2B C8B 155(3) . . . . ?
P2 Ru1 S2B C8B -21(3) . . . . ?
Cl1 Ru1 S2B C8B 177(10) . . . . ?
N2 Ru1 S2B C5B -138(7) . . . . ?
N1 Ru1 S2B C5B 138(3) . . . . ?
S2 Ru1 S2B C5B -40(3) . . . . ?
P1 Ru1 S2B C5B 44(4) . . . . ?
P2 Ru1 S2B C5B -132(4) . . . . ?
Cl1 Ru1 S2B C5B 65(5) . . . . ?
C4B S1B C1B C2B 24(6) . . . . ?
S1B C1B C2B C3B -17(10) . . . . ?
C1B C2B C3B C4B -3(13) . . . . ?
C1B C2B C3B P1 -163(6) . . . . ?
C3 P1 C3B C4B 166(27) . . . . ?
C23 P1 C3B C4B -94(10) . . . . ?
C29 P1 C3B C4B 152(9) . . . . ?
Ru1 P1 C3B C4B 27(12) . . . . ?
C3 P1 C3B C2B -40(11) . . . . ?
C23 P1 C3B C2B 60(8) . . . . ?
C29 P1 C3B C2B -54(9) . . . . ?
Ru1 P1 C3B C2B -180(7) . . . . ?
C2B C3B C4B C5B 180(7) . . . . ?
P1 C3B C4B C5B -27(16) . . . . ?
C2B C3B C4B S1B 21(11) . . . . ?
P1 C3B C4B S1B 175(8) . . . . ?
C1B S1B C4B C3B -25(6) . . . . ?
C1B S1B C4B C5B 173(5) . . . . ?
C3B C4B C5B C6B -151(9) . . . . ?
S1B C4B C5B C6B 6(8) . . . . ?
C3B C4B C5B S2B 38(11) . . . . ?
S1B C4B C5B S2B -165(5) . . . . ?
C8B S2B C5B C6B 8(6) . . . . ?
Ru1 S2B C5B C6B 138(4) . . . . ?
C8B S2B C5B C4B -179(4) . . . . ?
Ru1 S2B C5B C4B -49(6) . . . . ?
C4B C5B C6B C7B -174(6) . . . . ?
S2B C5B C6B C7B -2(7) . . . . ?
C5B C6B C7B C8B -7(9) . . . . ?
C6B C7B C8B C9B -175(5) . . . . ?
C6B C7B C8B S2B 12(9) . . . . ?
C5B S2B C8B C7B -12(7) . . . . ?
Ru1 S2B C8B C7B -131(5) . . . . ?
C5B S2B C8B C9B 175(4) . . . . ?
Ru1 S2B C8B C9B 55(7) . . . . ?
C7B C8B C9B C10B 137(8) . . . . ?
S2B C8B C9B C10B -51(9) . . . . ?
C7B C8B C9B S3B -30(9) . . . . ?
S2B C8B C9B S3B 142(5) . . . . ?
C12B S3B C9B C10B 15(6) . . . . ?
C12B S3B C9B C8B -175(5) . . . . ?
C8B C9B C10B C11B 179(5) . . . . ?
S3B C9B C10B C11B -13(7) . . . . ?
C8B C9B C10B P2 14(9) . . . . ?
S3B C9B C10B P2 -178(4) . . . . ?
C10 P2 C10B C9B -107(5) . . . . ?
C41 P2 C10B C9B 49(5) . . . . ?
C35 P2 C10B C9B 147(5) . . . . ?
C41B P2 C10B C9B -119(5) . . . . ?
Ru1 P2 C10B C9B 17(7) . . . . ?
C10 P2 C10B C11B 92(8) . . . . ?
C41 P2 C10B C11B -112(14) . . . . ?
C35 P2 C10B C11B -14(8) . . . . ?
C41B P2 C10B C11B 80(8) . . . . ?
Ru1 P2 C10B C11B -144(6) . . . . ?
C9B C10B C11B C12B 3(9) . . . . ?
P2 C10B C11B C12B 164(7) . . . . ?
C10B C11B C12B S3B 9(9) . . . . ?
C9B S3B C12B C11B -14(7) . . . . ?
