#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:01:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179436 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/33/4333327.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4333327
loop_
_publ_author_name
'Palacios, M. Dolores'
'Puerta, M. Carmen'
'Valerga, Pedro'
'Lledós, Agustí'
'Veilly, Edouard'
_publ_section_title
;
 Coordinatively Unsaturated Semisandwich Complexes of Ruthenium with
 Phosphinoamine Ligands and Related Species:  A Complex Containing
 (R,R)-1,2-Bis((diisopropylphosphino)amino)cyclohexane in a New
 Coordination Form κ3P,P‘,N-η2-P,N
;
_journal_issue                   17
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6958
_journal_page_last               6967
_journal_paper_doi               10.1021/ic700674c
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C11 H10 F Ru  1+; C32 H12 B F24 1-'
_chemical_formula_sum            'C43 H22 B F25 Ru'
_chemical_formula_weight         1125.49
_chemical_name_common
'[Ru(η⁵-C₅H₅)(η⁶-C₆H₅F)][B{C₆H₃(CF₃)₂}₄]'
_chemical_name_systematic
;      
pentahapto-cyclopentadienil-hexahapto-fluorbencene-ruthenium(II) 
tetrakis{3,5-bis(trifluoromethyl)phenyl}borate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.57(3)
_cell_angle_beta                 90.22(3)
_cell_angle_gamma                118.70(3)
_cell_formula_units_Z            2
_cell_length_a                   12.943(3)
_cell_length_b                   13.232(3)
_cell_length_c                   14.614(3)
_cell_measurement_reflns_used    5454
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.978
_cell_measurement_theta_min      2.260
_cell_volume                     2192.2(11)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'ORTEP-3 vers. 1.08 (Faruggia, 2005)'
_computing_publication_material  'SHELXTL (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2001)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2001)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       '1700 omega scan frames, 0.3 deg, 10 sec'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0520
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15229
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.79
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Bruker SMART APEX'
_diffrn_standards_decay_%        0.0018
_exptl_absorpt_coefficient_mu    0.497
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.807
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1108
_exptl_crystal_size_max          0.67
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.061
_refine_diff_density_min         -0.644
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     623
_refine_ls_number_reflns         7571
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.947
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          0.391
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0374P)²+10.6977P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1263
_refine_ls_wR_factor_ref         0.1307
_reflns_number_gt                6903
_reflns_number_total             7571
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700674csup1.cif
_cod_data_source_block           pv0511
_cod_original_cell_volume        2192.3(8)
_cod_database_code               4333327
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.5000 1.0000 0.5000 0.02909(15) Uani 1 2 d S . .
C1A C 0.4363(6) 0.9468(6) 0.3608(5) 0.019(2) Uiso 0.50 1 d PG A 1
H1A H 0.3635 0.9367 0.3366 0.023 Uiso 0.50 1 calc PR A 1
C2A C 0.5368(6) 1.0533(6) 0.3588(5) 0.018(2) Uiso 0.50 1 d PG A 1
C3A C 0.6430(6) 1.0681(5) 0.3942(5) 0.027(2) Uiso 0.50 1 d PG A 1
H3A H 0.7119 1.1411 0.3928 0.032 Uiso 0.50 1 calc PR A 1
C4A C 0.6487(5) 0.9763(5) 0.4316(4) 0.0234(18) Uiso 0.50 1 d PG A 1
H4A H 0.7214 0.9865 0.4559 0.028 Uiso 0.50 1 calc PR A 1
C5A C 0.5482(5) 0.8698(5) 0.4336(4) 0.0204(17) Uiso 0.50 1 d PG A 1
H5A H 0.5521 0.8070 0.4592 0.025 Uiso 0.50 1 calc PR A 1
C6A C 0.4420(5) 0.8551(5) 0.3982(5) 0.018(2) Uiso 0.50 1 d PG A 1
H6A H 0.3731 0.7821 0.3996 0.021 Uiso 0.50 1 calc PR A 1
F1A F 0.5273(5) 1.1369(5) 0.3230(4) 0.0404(13) Uiso 0.50 1 d P A 1
C1B C 0.4171(8) 0.9178(8) 0.3635(7) 0.037(3) Uiso 0.50 1 d PG A 2
H1B H 0.3367 0.8867 0.3449 0.045 Uiso 0.50 1 calc PR A 2
C2B C 0.5069(8) 1.0324(8) 0.3536(7) 0.036(3) Uiso 0.50 1 d PG A 2
H2B H 0.4974 1.0918 0.3272 0.044 Uiso 0.50 1 calc PR A 2
C3B C 0.6132(8) 1.0430(7) 0.3901(6) 0.041(3) Uiso 0.50 1 d PG A 2
H3B H 0.6877 1.1108 0.3924 0.050 Uiso 0.50 1 calc PR A 2
C4B C 0.5891(8) 0.9349(7) 0.4225(6) 0.045(3) Uiso 0.50 1 d PG A 2
H4B H 0.6446 0.9174 0.4504 0.054 Uiso 0.50 1 calc PR A 2
C5B C 0.4679(8) 0.8576(7) 0.4061(7) 0.043(3) Uiso 0.50 1 d PG A 2
H5B H 0.4277 0.7789 0.4210 0.052 Uiso 0.50 1 calc PR A 2
Ru2 Ru 0.0000 0.0000 0.0000 0.02938(15) Uani 1 2 d S . .
C7A C 0.1693(10) 0.1529(9) 0.0395(8) 0.046(4) Uiso 0.50 1 d PG B 1
H7A H 0.2112 0.2195 0.0054 0.055 Uiso 0.50 1 calc PR B 1
C8A C 0.1816(10) 0.0536(9) 0.0336(8) 0.045(5) Uiso 0.50 1 d PG B 1
H8A H 0.2333 0.0408 -0.0053 0.054 Uiso 0.50 1 calc PR B 1
C9A C 0.1045(9) -0.0236(8) 0.0948(7) 0.042(3) Uiso 0.50 1 d PG B 1
H9A H 0.0946 -0.0981 0.1049 0.050 Uiso 0.50 1 calc PR B 1
C10A C 0.0446(8) 0.0280(8) 0.1386(6) 0.049(3) Uiso 0.50 1 d PG B 1
H10A H -0.0133 -0.0053 0.1837 0.059 Uiso 0.50 1 calc PR B 1
C11A C 0.0847(9) 0.1371(8) 0.1044(7) 0.044(3) Uiso 0.50 1 d PG B 1
H11A H 0.0589 0.1911 0.1222 0.053 Uiso 0.50 1 calc PR B 1
C7B C 0.1779(7) 0.1407(6) 0.0296(5) 0.017(3) Uiso 0.50 1 d PG B 2
H7B H 0.2252 0.1986 -0.0108 0.020 Uiso 0.50 1 calc PR B 2
C8B C 0.1834(7) 0.0376(6) 0.0296(5) 0.021(3) Uiso 0.50 1 d PG B 2
C9B C 0.1138(6) -0.0478(6) 0.0891(5) 0.025(2) Uiso 0.50 1 d PG B 2
H9B H 0.1174 -0.1178 0.0891 0.029 Uiso 0.50 1 calc PR B 2
C10B C 0.0387(5) -0.0300(5) 0.1485(4) 0.0214(17) Uiso 0.50 1 d PG B 2
H10B H -0.0085 -0.0880 0.1889 0.026 Uiso 0.50 1 calc PR B 2
C11B C 0.0333(5) 0.0731(5) 0.1485(4) 0.0195(17) Uiso 0.50 1 d PG B 2
H11B H -0.0176 0.0851 0.1888 0.023 Uiso 0.50 1 calc PR B 2
C12B C 0.1029(6) 0.1585(5) 0.0890(4) 0.014(2) Uiso 0.50 1 d PG B 2
H12B H 0.0993 0.2285 0.0890 0.016 Uiso 0.50 1 calc PR B 2
F2B F 0.2544(5) 0.0268(5) -0.0232(4) 0.0436(14) Uiso 0.50 1 d P B 2
F3 F 0.8580(3) 0.2095(2) 0.5550(2) 0.0510(8) Uani 1 1 d . . .
F4 F 1.0126(3) 0.3669(3) 0.5945(2) 0.0500(8) Uani 1 1 d . . .
F5 F 0.9569(3) 0.3262(3) 0.4538(2) 0.0599(9) Uani 1 1 d . . .
F6 F 0.6664(7) 0.4214(8) 0.3330(3) 0.110(3) Uani 0.859(9) 1 d P C 1
F7 F 0.5243(4) 0.3833(7) 0.4215(4) 0.104(3) Uani 0.859(9) 1 d P C 1
F8 F 0.6512(7) 0.5512(5) 0.4094(4) 0.102(3) Uani 0.859(9) 1 d P C 1
F6B F 0.579(2) 0.3348(19) 0.3717(16) 0.043(7) Uiso 0.141(9) 1 d P C 2
F7B F 0.573(3) 0.469(3) 0.4270(16) 0.043(7) Uiso 0.141(9) 1 d P C 2
F8B F 0.707(2) 0.508(3) 0.354(2) 0.058(9) Uiso 0.141(9) 1 d P C 2
F9 F 0.2506(3) 0.2249(3) 0.8176(2) 0.0537(9) Uani 1 1 d . . .
F10 F 0.2276(2) 0.0645(3) 0.7589(3) 0.0586(9) Uani 1 1 d . . .
F11 F 0.2843(2) 0.2094(3) 0.6774(2) 0.0486(8) Uani 1 1 d . . .
F12 F 0.6941(3) 0.0931(3) 0.8375(2) 0.0520(8) Uani 1 1 d . . .
F13 F 0.6523(3) 0.1281(3) 0.97020(19) 0.0521(8) Uani 1 1 d . . .
F14 F 0.5234(3) -0.0117(2) 0.8851(3) 0.0610(10) Uani 1 1 d . . .
F15 F 0.4010(4) 0.5712(4) 0.9172(4) 0.1019(18) Uani 1 1 d . . .
F16 F 0.4693(9) 0.7514(7) 0.9190(6) 0.163(5) Uani 0.891(6) 1 d P D 1
F17 F 0.5408(4) 0.6748(6) 1.0003(3) 0.094(2) Uani 0.891(6) 1 d P D 1
F18 F 0.8738(3) 0.9082(3) 0.6478(2) 0.0411(10) Uani 0.891(6) 1 d P D 1
F16B F 0.5415(14) 0.7512(15) 0.9742(11) 0.000(5) Uiso 0.109(6) 1 d P D 2
F17B F 0.457(3) 0.596(2) 0.9599(18) 0.028(7) Uiso 0.109(6) 1 d P D 2
F18B F 0.4143(17) 0.6931(18) 0.8722(13) 0.009(5) Uiso 0.109(6) 1 d P D 2
F19 F 0.7551(3) 0.9660(3) 0.6918(3) 0.0614(10) Uani 1 1 d . . .
F20 F 0.7095(4) 0.8448(3) 0.5774(2) 0.0806(13) Uani 1 1 d . . .
F21 F 0.8959(3) 0.6816(2) 1.11123(18) 0.0406(7) Uani 1 1 d . . .
F22 F 0.8525(2) 0.5042(2) 1.10990(17) 0.0358(6) Uani 1 1 d . . .
F23 F 1.0321(2) 0.6354(3) 1.12654(18) 0.0467(8) Uani 1 1 d . . .
F24 F 1.2086(4) 0.6952(4) 0.7501(3) 0.0506(14) Uani 0.777(8) 1 d P E 1
F25 F 1.2566(4) 0.8261(6) 0.8597(3) 0.094(3) Uani 0.777(8) 1 d P E 1
F26 F 1.1613(4) 0.8240(4) 0.7419(4) 0.0648(17) Uani 0.777(8) 1 d P E 1
F24B F 1.2623(11) 0.7360(12) 0.8524(8) 0.032(4) Uiso 0.223(8) 1 d P E 2
F25B F 1.2071(14) 0.8574(13) 0.8184(11) 0.045(4) Uiso 0.223(8) 1 d P E 2
F26B F 1.1825(14) 0.7348(16) 0.7274(11) 0.050(5) Uiso 0.223(8) 1 d P E 2
C13 C 0.7553(3) 0.4638(3) 0.6552(3) 0.0211(9) Uani 1 1 d . . .
C14 C 0.8290(4) 0.4151(3) 0.6384(3) 0.0237(9) Uani 1 1 d . . .
H14 H 0.8703 0.4061 0.6885 0.028 Uiso 1 1 calc R . .
C15 C 0.8435(4) 0.3798(4) 0.5509(3) 0.0281(10) Uani 1 1 d . . .
C16 C 0.7836(4) 0.3897(4) 0.4761(3) 0.0306(10) Uani 1 1 d . . .
H16 H 0.7939 0.3658 0.4161 0.037 Uiso 1 1 calc R . .
C17 C 0.7083(4) 0.4354(4) 0.4910(3) 0.0305(10) Uani 1 1 d . C .
C18 C 0.6954(4) 0.4718(4) 0.5788(3) 0.0239(9) Uani 1 1 d . . .
H18 H 0.6436 0.5033 0.5870 0.029 Uiso 1 1 calc R . .
C19 C 0.9178(4) 0.3217(4) 0.5384(3) 0.0338(11) Uani 1 1 d . . .
C20 C 0.6405(5) 0.4461(5) 0.4125(3) 0.0435(13) Uani 1 1 d . . .
C21 C 0.6275(4) 0.3672(3) 0.7919(3) 0.0199(8) Uani 1 1 d . . .
C22 C 0.5081(3) 0.3255(4) 0.7687(3) 0.0213(9) Uani 1 1 d . . .
H22 H 0.4851 0.3751 0.7405 0.026 Uiso 1 1 calc R . .
C23 C 0.4229(4) 0.2145(4) 0.7854(3) 0.0234(9) Uani 1 1 d . . .
C24 C 0.4523(4) 0.1379(4) 0.8247(3) 0.0222(9) Uani 1 1 d . . .
H24 H 0.3936 0.0617 0.8362 0.027 Uiso 1 1 calc R . .
C25 C 0.5702(4) 0.1760(3) 0.8469(3) 0.0217(9) Uani 1 1 d . . .
C26 C 0.6556(4) 0.2886(4) 0.8312(3) 0.0214(9) Uani 1 1 d . . .
H26 H 0.7354 0.3127 0.8478 0.026 Uiso 1 1 calc R . .
C27 C 0.2974(4) 0.1787(4) 0.7601(3) 0.0296(10) Uani 1 1 d . . .
C28 C 0.6077(4) 0.0968(4) 0.8856(3) 0.0264(9) Uani 1 1 d . . .
C29 C 0.6854(3) 0.5901(3) 0.7665(3) 0.0205(8) Uani 1 1 d . . .
C30 C 0.6078(3) 0.5896(4) 0.8325(3) 0.0220(9) Uani 1 1 d . D .
H30 H 0.5740 0.5273 0.8720 0.026 Uiso 1 1 calc R . .
C31 C 0.5783(4) 0.6777(4) 0.8423(3) 0.0260(9) Uani 1 1 d . . .
C32 C 0.6267(4) 0.7710(4) 0.7873(3) 0.0288(10) Uani 1 1 d . D .
H32 H 0.6063 0.8309 0.7938 0.035 Uiso 1 1 calc R . .
C33 C 0.7054(4) 0.7745(4) 0.7226(3) 0.0262(9) Uani 1 1 d . . .
C34 C 0.7344(4) 0.6859(4) 0.7120(3) 0.0233(9) Uani 1 1 d . D .
H34 H 0.7888 0.6906 0.6667 0.028 Uiso 1 1 calc R . .
C35 C 0.4961(4) 0.6732(4) 0.9159(4) 0.0369(11) Uani 1 1 d . D .
C36 C 0.7600(5) 0.8722(4) 0.6603(3) 0.0374(12) Uani 1 1 d . D .
C37 C 0.8478(3) 0.5497(3) 0.8269(3) 0.0198(8) Uani 1 1 d . . .
C38 C 0.9596(4) 0.6204(3) 0.7917(3) 0.0216(9) Uani 1 1 d . . .
H38 H 0.9672 0.6270 0.7273 0.026 Uiso 1 1 calc R . .
C39 C 1.0589(4) 0.6807(4) 0.8486(3) 0.0230(9) Uani 1 1 d . E .
C40 C 1.0529(4) 0.6746(4) 0.9427(3) 0.0229(9) Uani 1 1 d . . .
H40 H 1.1213 0.7157 0.9813 0.028 Uiso 1 1 calc R . .
C41 C 0.9428(4) 0.6060(3) 0.9790(3) 0.0206(8) Uani 1 1 d . . .
C42 C 0.8439(3) 0.5455(3) 0.9223(3) 0.0199(8) Uani 1 1 d . . .
H42 H 0.7703 0.4992 0.9493 0.024 Uiso 1 1 calc R . .
C43 C 1.1740(4) 0.7550(4) 0.8057(3) 0.0317(10) Uani 1 1 d . . .
C44 C 0.9306(4) 0.6059(4) 1.0810(3) 0.0258(9) Uani 1 1 d . . .
B1 B 0.7292(4) 0.4922(4) 0.7605(3) 0.0205(10) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1B Ru1 C1B 180.0 2_676 .
C1B Ru1 C2B 142.75(19) 2_676 .
C1B Ru1 C2B 37.25(19) . .
C1B Ru1 C2B 37.2(8) 2_676 2_676
C1B Ru1 C2B 142.8(8) . 2_676
C2B Ru1 C2B 180.0(14) . 2_676
C1B Ru1 C5B 37.6(7) 2_676 2_676
C1B Ru1 C5B 142.4(7) . 2_676
C2B Ru1 C5B 116.4(8) . 2_676
C2B Ru1 C5B 63.6(3) 2_676 2_676
C1B Ru1 C5B 142.4(2) 2_676 .
C1B Ru1 C5B 37.6(2) . .
C2B Ru1 C5B 63.6(3) . .
C2B Ru1 C5B 116.4(8) 2_676 .
C5B Ru1 C5B 180.0(9) 2_676 .
C1B Ru1 C1A 171.2(3) 2_676 .
C1B Ru1 C1A 8.8(3) . .
C2B Ru1 C1A 28.5(3) . .
C2B Ru1 C1A 151.5(7) 2_676 .
C5B Ru1 C1A 136.5(6) 2_676 .
C5B Ru1 C1A 43.5(3) . .
C1B Ru1 C1A 8.8(3) 2_676 2_676
C1B Ru1 C1A 171.2(3) . 2_676
C2B Ru1 C1A 151.5(3) . 2_676
C2B Ru1 C1A 28.5(7) 2_676 2_676
C5B Ru1 C1A 43.5(6) 2_676 2_676
C5B Ru1 C1A 136.5(3) . 2_676
C1A Ru1 C1A 180.0 . 2_676
C1B Ru1 C2A 134.2(3) 2_676 .
C1B Ru1 C2A 45.8(3) . .
C2B Ru1 C2A 9.3(3) . .
C2B Ru1 C2A 170.7(7) 2_676 .
C5B Ru1 C2A 111.7(6) 2_676 .
C5B Ru1 C2A 68.3(3) . .
C1A Ru1 C2A 37.26(13) . .
C1A Ru1 C2A 142.74(13) 2_676 .
C1B Ru1 C2A 45.8(4) 2_676 2_676
C1B Ru1 C2A 134.2(5) . 2_676
C2B Ru1 C2A 170.7(5) . 2_676
C2B Ru1 C2A 9.3(10) 2_676 2_676
C5B Ru1 C2A 68.3(9) 2_676 2_676
C5B Ru1 C2A 111.7(4) . 2_676
C1A Ru1 C2A 142.7(5) . 2_676
C1A Ru1 C2A 37.3(5) 2_676 2_676
C2A Ru1 C2A 180.0(9) . 2_676
C1B Ru1 C6A 30.3(4) 2_676 2_676
C1B Ru1 C6A 149.7(4) . 2_676
C2B Ru1 C6A 119.5(4) . 2_676
C2B Ru1 C6A 60.5(9) 2_676 2_676
C5B Ru1 C6A 8.9(9) 2_676 2_676
C5B Ru1 C6A 171.1(5) . 2_676
C1A Ru1 C6A 142.8(5) . 2_676
C1A Ru1 C6A 37.2(5) 2_676 2_676
C2A Ru1 C6A 113.5(5) . 2_676
C2A Ru1 C6A 66.5(2) 2_676 2_676
C1B Ru1 C6A 149.7(3) 2_676 .
C1B Ru1 C6A 30.3(3) . .
C2B Ru1 C6A 60.5(3) . .
C2B Ru1 C6A 119.5(6) 2_676 .
C5B Ru1 C6A 171.1(7) 2_676 .
C5B Ru1 C6A 8.9(3) . .
C1A Ru1 C6A 37.24(13) . .
C1A Ru1 C6A 142.76(13) 2_676 .
C2A Ru1 C6A 66.5(2) . .
C2A Ru1 C6A 113.5(5) 2_676 .
C6A Ru1 C6A 180.0(5) 2_676 .
C2A C1A C6A 120.0 . .
C2A C1A Ru1 73.0(2) . .
C6A C1A Ru1 73.1(2) . .
C2A C1A H1A 120.0 . .
C6A C1A H1A 120.0 . .
Ru1 C1A H1A 125.6 . .
F1A C2A C1A 117.9(5) . .
F1A C2A C3A 122.1(5) . .
C1A C2A C3A 120.0 . .
F1A C2A Ru1 126.8(5) . .
C1A C2A Ru1 69.7(2) . .
C3A C2A Ru1 75.2(2) . .
C4A C3A C2A 120.0 . .
C4A C3A Ru1 74.08(19) . .
C2A C3A Ru1 68.6(2) . .
C4A C3A H3A 120.0 . .
C2A C3A H3A 120.0 . .
Ru1 C3A H3A 129.7 . .
C3A C4A C5A 120.0 . .
C3A C4A Ru1 70.8(2) . .
C5A C4A Ru1 70.9(2) . .
C3A C4A H4A 120.0 . .
C5A C4A H4A 120.0 . .
Ru1 C4A H4A 131.1 . .
C6A C5A C4A 120.0 . .
C6A C5A Ru1 68.7(2) . .
C4A C5A Ru1 74.0(2) . .
C6A C5A H5A 120.0 . .
C4A C5A H5A 120.0 . .
Ru1 C5A H5A 129.8 . .
C5A C6A C1A 120.0 . .
C5A C6A Ru1 75.3(2) . .
C1A C6A Ru1 69.6(2) . .
C5A C6A H6A 120.0 . .
C1A C6A H6A 120.0 . .
Ru1 C6A H6A 127.0 . .
C2B C1B C5B 108.0 . .
C2B C1B Ru1 69.9(3) . .
C5B C1B Ru1 68.0(3) . .
C2B C1B H1B 126.0 . .
C5B C1B H1B 126.0 . .
Ru1 C1B H1B 127.6 . .
C1B C2B C3B 108.0 . .
C1B C2B Ru1 72.8(4) . .
C3B C2B Ru1 66.6(3) . .
C1B C2B H2B 126.0 . .
C3B C2B H2B 126.0 . .
Ru1 C2B H2B 126.1 . .
C2B C3B C4B 108.0 . .
C2B C3B Ru1 74.9(3) . .
C4B C3B Ru1 69.0(3) . .
C2B C3B H3B 126.0 . .
C4B C3B H3B 126.0 . .
Ru1 C3B H3B 121.8 . .
C5B C4B C3B 108.0 . .
C5B C4B Ru1 73.9(4) . .
C3B C4B Ru1 71.1(4) . .
C5B C4B H4B 126.0 . .
C3B C4B H4B 126.0 . .
Ru1 C4B H4B 120.7 . .
C4B C5B C1B 108.0 . .
C4B C5B Ru1 66.9(3) . .
C1B C5B Ru1 74.4(3) . .
C4B C5B H5B 126.0 . .
C1B C5B H5B 126.0 . .
Ru1 C5B H5B 124.3 . .
C7A Ru2 C7A 180.0(13) . 2
C7A Ru2 C8A 37.4(2) . .
C7A Ru2 C8A 142.6(2) 2 .
C7A Ru2 C8A 142.6(8) . 2
C7A Ru2 C8A 37.4(8) 2 2
C8A Ru2 C8A 180.0(10) . 2
C7A Ru2 C11A 37.3(2) . .
C7A Ru2 C11A 142.7(2) 2 .
C8A Ru2 C11A 63.3(3) . .
C8A Ru2 C11A 116.7(9) 2 .
C7A Ru2 C11A 142.7(9) . 2
C7A Ru2 C11A 37.3(9) 2 2
C8A Ru2 C11A 116.7(10) . 2
C8A Ru2 C11A 63.3(3) 2 2
C11A Ru2 C11A 180.0(12) . 2
C7A Ru2 C7B 172.9(3) . 2
C7A Ru2 C7B 7.1(3) 2 2
C8A Ru2 C7B 148.4(4) . 2
C8A Ru2 C7B 31.6(7) 2 2
C11A Ru2 C7B 136.2(3) . 2
C11A Ru2 C7B 43.8(8) 2 2
C7A Ru2 C7B 7.1(3) . .
C7A Ru2 C7B 172.9(3) 2 .
C8A Ru2 C7B 31.6(4) . .
C8A Ru2 C7B 148.4(7) 2 .
C11A Ru2 C7B 43.8(3) . .
C11A Ru2 C7B 136.2(8) 2 .
C7B Ru2 C7B 180.0(8) 2 .
C7A Ru2 C8B 136.9(5) . 2
C7A Ru2 C8B 43.1(5) 2 2
C8A Ru2 C8B 174.2(5) . 2
C8A Ru2 C8B 5.8(10) 2 2
C11A Ru2 C8B 111.5(4) . 2
C11A Ru2 C8B 68.5(11) 2 2
C7B Ru2 C8B 37.1(5) 2 2
C7B Ru2 C8B 142.9(5) . 2
C7A Ru2 C8B 43.1(4) . .
C7A Ru2 C8B 136.9(4) 2 .
C8A Ru2 C8B 5.8(4) . .
C8A Ru2 C8B 174.2(7) 2 .
C11A Ru2 C8B 68.5(3) . .
C11A Ru2 C8B 111.5(7) 2 .
C7B Ru2 C8B 142.88(13) 2 .
C7B Ru2 C8B 37.12(13) . .
C8B Ru2 C8B 180.0(6) 2 .
C7A Ru2 C12B 30.2(3) . .
C7A Ru2 C12B 149.8(3) 2 .
C8A Ru2 C12B 60.7(3) . .
C8A Ru2 C12B 119.3(7) 2 .
C11A Ru2 C12B 9.3(3) . .
C11A Ru2 C12B 170.7(8) 2 .
C7B Ru2 C12B 142.92(13) 2 .
C7B Ru2 C12B 37.08(13) . .
C8B Ru2 C12B 113.7(5) 2 .
C8B Ru2 C12B 66.3(2) . .
C7A Ru2 C12B 149.8(5) . 2
C7A Ru2 C12B 30.2(5) 2 2
C8A Ru2 C12B 119.3(4) . 2
C8A Ru2 C12B 60.7(11) 2 2
C11A Ru2 C12B 170.7(5) . 2
C11A Ru2 C12B 9.3(10) 2 2
C7B Ru2 C12B 37.1(5) 2 2
C7B Ru2 C12B 142.9(5) . 2
C8B Ru2 C12B 66.3(2) 2 2
C8B Ru2 C12B 113.7(6) . 2
C12B Ru2 C12B 180.0(7) . 2
C8A C7A C11A 108.0 . .
C8A C7A Ru2 69.3(4) . .
C11A C7A Ru2 69.5(4) . .
C8A C7A H7A 126.0 . .
C11A C7A H7A 126.0 . .
Ru2 C7A H7A 126.8 . .
C7A C8A C9A 108.0 . .
C7A C8A Ru2 73.4(4) . .
C9A C8A Ru2 67.5(4) . .
C7A C8A H8A 126.0 . .
C9A C8A H8A 126.0 . .
Ru2 C8A H8A 124.7 . .
C10A C9A C8A 108.0 . .
C10A C9A Ru2 70.4(4) . .
C8A C9A Ru2 73.9(4) . .
C10A C9A H9A 126.0 . .
C8A C9A H9A 126.0 . .
Ru2 C9A H9A 121.4 . .
C11A C10A C9A 108.0 . .
C11A C10A Ru2 74.0(4) . .
C9A C10A Ru2 70.2(4) . .
C11A C10A H10A 126.0 . .
C9A C10A H10A 126.0 . .
Ru2 C10A H10A 121.5 . .
C10A C11A C7A 108.0 . .
C10A C11A Ru2 67.5(4) . .
C7A C11A Ru2 73.2(4) . .
C10A C11A H11A 126.0 . .
C7A C11A H11A 126.0 . .
Ru2 C11A H11A 124.9 . .
C8B C7B C12B 120.0 . .
C8B C7B Ru2 72.7(2) . .
C12B C7B Ru2 72.9(2) . .
C8B C7B H7B 120.0 . .
C12B C7B H7B 120.0 . .
Ru2 C7B H7B 126.2 . .
F2B C8B C7B 117.7(5) . .
F2B C8B C9B 122.3(5) . .
C7B C8B C9B 120.0 . .
F2B C8B Ru2 128.8(6) . .
C7B C8B Ru2 70.1(2) . .
C9B C8B Ru2 74.6(2) . .
C8B C9B C10B 120.0 . .
C8B C9B Ru2 69.2(2) . .
C10B C9B Ru2 73.7(2) . .
C8B C9B H9B 120.0 . .
C10B C9B H9B 120.0 . .
Ru2 C9B H9B 129.5 . .
C11B C10B C9B 120.0 . .
C11B C10B Ru2 71.1(2) . .
C9B C10B Ru2 70.9(2) . .
C11B C10B H10B 120.0 . .
C9B C10B H10B 120.0 . .
Ru2 C10B H10B 130.6 . .
C10B C11B C12B 120.0 . .
C10B C11B Ru2 73.6(2) . .
C12B C11B Ru2 69.2(2) . .
C10B C11B H11B 120.0 . .
C12B C11B H11B 120.0 . .
Ru2 C11B H11B 129.6 . .
C11B C12B C7B 120.0 . .
C11B C12B Ru2 74.6(2) . .
C7B C12B Ru2 70.0(2) . .
C11B C12B H12B 120.0 . .
C7B C12B H12B 120.0 . .
Ru2 C12B H12B 127.4 . .
C35 F15 F17B 58.1(18) . .
C35 F15 F18B 52.1(7) . .
F17B F15 F18B 105.1(19) . .
C35 F16B F17B 38.0(10) . .
C35 F17B F15 81(2) . .
C35 F17B F16B 41.2(11) . .
F15 F17B F16B 114(2) . .
C35 F18B F15 49.5(7) . .
C18 C13 C14 115.8(4) . .
C18 C13 B1 123.0(4) . .
C14 C13 B1 120.7(4) . .
C13 C14 C15 122.0(4) . .
C13 C14 H14 119.0 . .
C15 C14 H14 119.0 . .
C16 C15 C14 121.0(4) . .
C16 C15 C19 119.6(4) . .
C14 C15 C19 119.2(4) . .
C15 C16 C17 118.2(4) . .
C15 C16 H16 120.9 . .
C17 C16 H16 120.9 . .
C18 C17 C16 120.4(4) . .
C18 C17 C20 119.5(4) . .
C16 C17 C20 120.1(4) . .
C17 C18 C13 122.6(4) . .
C17 C18 H18 118.7 . .
C13 C18 H18 118.7 . .
F4 C19 F5 106.5(4) . .
F4 C19 F3 106.1(4) . .
F5 C19 F3 105.8(4) . .
F4 C19 C15 112.9(4) . .
F5 C19 C15 113.2(4) . .
F3 C19 C15 111.8(4) . .
F7B C20 F8B 111(2) . .
F7B C20 F6 126.1(14) . .
F8B C20 F6 48.4(14) . .
F7B C20 F8 53.7(16) . .
F8B C20 F8 64.3(15) . .
F6 C20 F8 106.5(6) . .
F7B C20 F6B 104.2(18) . .
F8B C20 F6B 106.6(18) . .
F6 C20 F6B 58.6(10) . .
F8 C20 F6B 142.1(10) . .
F7B C20 F7 47.7(16) . .
F8B C20 F7 136.5(14) . .
F6 C20 F7 108.2(6) . .
F8 C20 F7 100.4(6) . .
F6B C20 F7 59.6(10) . .
F7B C20 C17 118.4(13) . .
F8B C20 C17 111.2(14) . .
F6 C20 C17 115.3(5) . .
F8 C20 C17 113.0(5) . .
F6B C20 C17 104.6(10) . .
F7 C20 C17 112.2(4) . .
C22 C21 C26 115.8(4) . .
C22 C21 B1 121.7(4) . .
C26 C21 B1 121.8(4) . .
C23 C22 C21 122.2(4) . .
C23 C22 H22 118.9 . .
C21 C22 H22 118.9 . .
C24 C23 C22 121.1(4) . .
C24 C23 C27 120.6(4) . .
C22 C23 C27 118.3(4) . .
C25 C24 C23 118.1(4) . .
C25 C24 H24 121.0 . .
C23 C24 H24 121.0 . .
C24 C25 C26 120.6(4) . .
C24 C25 C28 120.5(4) . .
C26 C25 C28 118.8(4) . .
C25 C26 C21 122.2(4) . .
C25 C26 H26 118.9 . .
C21 C26 H26 118.9 . .
F11 C27 F10 105.4(4) . .
F11 C27 F9 105.8(4) . .
F10 C27 F9 106.6(4) . .
F11 C27 C23 113.2(4) . .
F10 C27 C23 112.9(4) . .
F9 C27 C23 112.4(4) . .
F14 C28 F13 107.7(4) . .
F14 C28 F12 104.7(4) . .
F13 C28 F12 104.4(4) . .
F14 C28 C25 114.0(4) . .
F13 C28 C25 113.5(4) . .
F12 C28 C25 111.8(3) . .
C30 C29 C34 116.2(4) . .
C30 C29 B1 122.0(4) . .
C34 C29 B1 121.5(4) . .
C29 C30 C31 121.9(4) . .
C29 C30 H30 119.0 . .
C31 C30 H30 119.0 . .
C32 C31 C30 121.0(4) . .
C32 C31 C35 119.6(4) . .
C30 C31 C35 119.4(4) . .
C33 C32 C31 118.1(4) . .
C33 C32 H32 121.0 . .
C31 C32 H32 121.0 . .
C32 C33 C34 121.1(4) . .
C32 C33 C36 120.8(4) . .
C34 C33 C36 118.1(4) . .
C33 C34 C29 121.7(4) . .
C33 C34 H34 119.2 . .
C29 C34 H34 119.2 . .
F17B C35 F16B 100.8(17) . .
F17B C35 F16 124.9(13) . .
F16B C35 F16 60.4(9) . .
F17B C35 F15 41.1(14) . .
F16B C35 F15 131.1(9) . .
F16 C35 F15 110.7(6) . .
F17B C35 F17 57.5(15) . .
F16B C35 F17 49.9(9) . .
F16 C35 F17 106.0(6) . .
F15 C35 F17 98.0(5) . .
F17B C35 F18B 114.3(17) . .
F16B C35 F18B 104.7(13) . .
F16 C35 F18B 44.5(8) . .
F15 C35 F18B 78.4(9) . .
F17 C35 F18B 142.1(10) . .
F17B C35 C31 118.4(13) . .
F16B C35 C31 113.6(8) . .
F16 C35 C31 116.5(5) . .
F15 C35 C31 112.5(4) . .
F17 C35 C31 111.4(4) . .
F18B C35 C31 104.6(9) . .
F20 C36 F18 105.8(4) . .
F20 C36 F19 106.8(4) . .
F18 C36 F19 104.8(4) . .
F20 C36 C33 112.5(4) . .
F18 C36 C33 113.2(4) . .
F19 C36 C33 113.1(4) . .
C42 C37 C38 115.5(4) . .
C42 C37 B1 122.8(3) . .
C38 C37 B1 121.1(4) . .
C39 C38 C37 121.8(4) . .
C39 C38 H38 119.1 . .
C37 C38 H38 119.1 . .
C40 C39 C38 121.6(4) . .
C40 C39 C43 120.0(4) . .
C38 C39 C43 118.4(4) . .
C39 C40 C41 117.5(4) . .
C39 C40 H40 121.2 . .
C41 C40 H40 121.2 . .
C42 C41 C40 120.9(4) . .
C42 C41 C44 119.8(4) . .
C40 C41 C44 119.1(4) . .
C41 C42 C37 122.7(4) . .
C41 C42 H42 118.7 . .
C37 C42 H42 118.7 . .
F26B C43 F25B 109.2(12) . .
F26B C43 F25 126.3(9) . .
F25B C43 F25 52.7(8) . .
F26B C43 F24 37.9(9) . .
F25B C43 F24 133.1(8) . .
F25 C43 F24 112.2(5) . .
F26B C43 F26 62.1(10) . .
F25B C43 F26 55.4(8) . .
F25 C43 F26 104.2(5) . .
F24 C43 F26 99.2(4) . .
F26B C43 F24B 104.4(11) . .
F25B C43 F24B 105.0(10) . .
F25 C43 F24B 53.1(6) . .
F24 C43 F24B 70.0(6) . .
F26 C43 F24B 142.3(6) . .
F26B C43 C39 117.2(9) . .
F25B C43 C39 113.1(8) . .
F25 C43 C39 116.1(4) . .
F24 C43 C39 112.9(4) . .
F26 C43 C39 110.6(4) . .
F24B C43 C39 106.8(6) . .
F22 C44 F23 106.4(4) . .
F22 C44 F21 106.4(3) . .
F23 C44 F21 105.9(4) . .
F22 C44 C41 113.2(4) . .
F23 C44 C41 112.8(3) . .
F21 C44 C41 111.6(3) . .
C37 B1 C21 113.8(3) . .
C37 B1 C13 112.5(3) . .
C21 B1 C13 103.2(3) . .
C37 B1 C29 103.0(3) . .
C21 B1 C29 112.1(3) . .
C13 B1 C29 112.6(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1B 2.232(10) 2_676
Ru1 C1B 2.232(10) .
Ru1 C2B 2.194(10) .
Ru1 C2B 2.19(2) 2_676
Ru1 C5B 2.15(2) 2_676
Ru1 C5B 2.149(9) .
Ru1 C1A 2.148(7) .
Ru1 C1A 2.148(7) 2_676
Ru1 C2A 2.190(7) .
Ru1 C2A 2.190(12) 2_676
Ru1 C6A 2.193(12) 2_676
Ru1 C6A 2.193(7) .
C1A C2A 1.387(4) .
C1A C6A 1.387(4) .
C1A H1A 0.9500 .
C2A F1A 1.301(8) .
C2A C3A 1.387(4) .
C3A C4A 1.387(4) .
C3A H3A 0.9500 .
C4A C5A 1.387(4) .
C4A H4A 0.9500 .
C5A C6A 1.387(4) .
C5A H5A 0.9500 .
C6A H6A 0.9500 .
C1B C2B 1.414(7) .
C1B C5B 1.414(7) .
C1B H1B 0.9500 .
C2B C3B 1.414(7) .
C2B H2B 0.9500 .
C3B C4B 1.414(7) .
C3B H3B 0.9500 .
C4B C5B 1.414(7) .
C4B H4B 0.9500 .
C5B H5B 0.9500 .
Ru2 C7A 2.204(12) .
Ru2 C7A 2.204(12) 2
Ru2 C8A 2.151(12) .
Ru2 C8A 2.15(2) 2
Ru2 C11A 2.156(10) .
Ru2 C11A 2.16(2) 2
Ru2 C7B 2.182(8) 2
Ru2 C7B 2.182(8) .
Ru2 C8B 2.215(13) 2
Ru2 C8B 2.215(8) .
Ru2 C12B 2.219(7) .
Ru2 C12B 2.219(13) 2
C7A C8A 1.396(8) .
C7A C11A 1.396(8) .
C7A H7A 0.9500 .
C8A C9A 1.396(8) .
C8A H8A 0.9500 .
C9A C10A 1.396(8) .
C9A H9A 0.9500 .
C10A C11A 1.396(8) .
C10A H10A 0.9500 .
C11A H11A 0.9500 .
C7B C8B 1.400(4) .
C7B C12B 1.400(4) .
C7B H7B 0.9500 .
C8B F2B 1.258(9) .
C8B C9B 1.400(4) .
C9B C10B 1.400(4) .
C9B H9B 0.9500 .
C10B C11B 1.400(4) .
C10B H10B 0.9500 .
C11B C12B 1.400(4) .
C11B H11B 0.9500 .
C12B H12B 0.9500 .
F3 C19 1.338(5) .
F4 C19 1.332(6) .
F5 C19 1.331(5) .
F6 C20 1.281(7) .
F7 C20 1.335(7) .
F8 C20 1.332(7) .
F6B C20 1.40(2) .
F7B C20 1.07(2) .
F8B C20 1.23(3) .
F9 C27 1.327(5) .
F10 C27 1.336(5) .
F11 C27 1.329(5) .
F12 C28 1.343(5) .
F13 C28 1.324(5) .
F14 C28 1.321(5) .
F15 C35 1.321(6) .
F15 F17B 0.88(3) .
F15 F18B 1.70(2) .
F16 C35 1.238(6) .
F17 C35 1.356(7) .
F18 C36 1.329(6) .
F16B C35 1.213(17) .
F16B F17B 1.81(3) .
F17B C35 1.14(3) .
F18B C35 1.37(2) .
F19 C36 1.334(6) .
F20 C36 1.325(6) .
F21 C44 1.339(5) .
F22 C44 1.326(5) .
F23 C44 1.341(5) .
F24 C43 1.331(6) .
F25 C43 1.269(6) .
F26 C43 1.395(6) .
F24B C43 1.456(13) .
F25B C43 1.214(15) .
F26B C43 1.181(16) .
C13 C18 1.394(6) .
C13 C14 1.401(6) .
C13 B1 1.643(6) .
C14 C15 1.386(6) .
C14 H14 0.9500 .
C15 C16 1.384(7) .
C15 C19 1.501(6) .
C16 C17 1.385(7) .
C16 H16 0.9500 .
C17 C18 1.389(6) .
C17 C20 1.494(7) .
C18 H18 0.9500 .
C21 C22 1.402(6) .
C21 C26 1.401(6) .
C21 B1 1.630(6) .
C22 C23 1.383(6) .
C22 H22 0.9500 .
C23 C24 1.386(6) .
C23 C27 1.496(6) .
C24 C25 1.389(6) .
C24 H24 0.9500 .
C25 C26 1.395(6) .
C25 C28 1.481(6) .
C26 H26 0.9500 .
C29 C30 1.394(6) .
C29 C34 1.402(6) .
C29 B1 1.644(6) .
C30 C31 1.392(6) .
C30 H30 0.9500 .
C31 C32 1.384(6) .
C31 C35 1.498(6) .
C32 C33 1.379(6) .
C32 H32 0.9500 .
C33 C34 1.395(6) .
C33 C36 1.494(6) .
C34 H34 0.9500 .
C37 C42 1.398(6) .
C37 C38 1.408(6) .
C37 B1 1.636(6) .
C38 C39 1.388(6) .
C38 H38 0.9500 .
C39 C40 1.383(6) .
C39 C43 1.495(6) .
C40 C41 1.394(6) .
C40 H40 0.9500 .
C41 C42 1.384(6) .
C41 C44 1.500(6) .
C42 H42 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
C1B Ru1 C1A C2A 16(2) 2_676
C1B Ru1 C1A C2A -164(2) .
C2B Ru1 C1A C2A 6.0(8) .
C2B Ru1 C1A C2A -174.0(13) 2_676
C5B Ru1 C1A C2A 60.2(9) 2_676
C5B Ru1 C1A C2A -119.8(4) .
C1A Ru1 C1A C2A 179(100) 2_676
C2A Ru1 C1A C2A 180.0(7) 2_676
C6A Ru1 C1A C2A 50.3(8) 2_676
C6A Ru1 C1A C2A -129.72(11) .
C1B Ru1 C1A C6A 145(2) 2_676
C1B Ru1 C1A C6A -35(2) .
C2B Ru1 C1A C6A 135.8(7) .
C2B Ru1 C1A C6A -44.2(13) 2_676
C5B Ru1 C1A C6A -170.1(10) 2_676
C5B Ru1 C1A C6A 9.9(4) .
C1A Ru1 C1A C6A -52(100) 2_676
C2A Ru1 C1A C6A 129.72(11) .
C2A Ru1 C1A C6A -50.3(8) 2_676
C6A Ru1 C1A C6A 180.0(8) 2_676
C6A C1A C2A F1A 180.0(6) .
Ru1 C1A C2A F1A -121.8(6) .
C6A C1A C2A C3A 0.0 .
Ru1 C1A C2A C3A 58.2(2) .
C6A C1A C2A Ru1 -58.2(2) .
C1B Ru1 C2A F1A -66.5(8) 2_676
C1B Ru1 C2A F1A 113.5(8) .
C2B Ru1 C2A F1A 92(2) .
C2B Ru1 C2A F1A -88(4) 2_676
C5B Ru1 C2A F1A -29.8(10) 2_676
C5B Ru1 C2A F1A 150.2(7) .
C1A Ru1 C2A F1A 110.2(7) .
C1A Ru1 C2A F1A -69.8(7) 2_676
C2A Ru1 C2A F1A 179(100) 2_676
C6A Ru1 C2A F1A -39.3(6) 2_676
C6A Ru1 C2A F1A 140.7(7) .
C1B Ru1 C2A C1A -176.7(5) 2_676
C1B Ru1 C2A C1A 3.3(5) .
C2B Ru1 C2A C1A -18(2) .
C2B Ru1 C2A C1A 162(4) 2_676
C5B Ru1 C2A C1A -140.0(7) 2_676
C5B Ru1 C2A C1A 40.0(3) .
C1A Ru1 C2A C1A 180.0 2_676
C2A Ru1 C2A C1A 69(100) 2_676
C6A Ru1 C2A C1A -149.5(5) 2_676
C6A Ru1 C2A C1A 30.51(9) .
C1B Ru1 C2A C3A 52.9(5) 2_676
C1B Ru1 C2A C3A -127.1(5) .
C2B Ru1 C2A C3A -148(2) .
C2B Ru1 C2A C3A 32(4) 2_676
C5B Ru1 C2A C3A 89.5(7) 2_676
C5B Ru1 C2A C3A -90.5(3) .
C1A Ru1 C2A C3A -130.43(11) .
C1A Ru1 C2A C3A 49.57(11) 2_676
C2A Ru1 C2A C3A -62(100) 2_676
C6A Ru1 C2A C3A 80.1(6) 2_676
C6A Ru1 C2A C3A -99.92(15) .
F1A C2A C3A C4A -180.0(7) .
C1A C2A C3A C4A 0.0 .
Ru1 C2A C3A C4A 55.5(2) .
F1A C2A C3A Ru1 124.5(6) .
C1A C2A C3A Ru1 -55.5(2) .
C1B Ru1 C3A C4A 84.9(3) 2_676
C1B Ru1 C3A C4A -95.1(3) .
C2B Ru1 C3A C4A -125.1(5) .
C2B Ru1 C3A C4A 54.9(9) 2_676
C5B Ru1 C3A C4A 124.4(6) 2_676
C5B Ru1 C3A C4A -55.6(3) .
C1A Ru1 C3A C4A -101.69(16) .
C1A Ru1 C3A C4A 78.31(16) 2_676
C2A Ru1 C3A C4A -132.06(12) .
C2A Ru1 C3A C4A 47.9(8) 2_676
C6A Ru1 C3A C4A 116.0(5) 2_676
C6A Ru1 C3A C4A -63.96(15) .
C1B Ru1 C3A C2A -143.1(3) 2_676
C1B Ru1 C3A C2A 36.9(3) .
C2B Ru1 C3A C2A 7.0(5) .
C2B Ru1 C3A C2A -173.0(9) 2_676
C5B Ru1 C3A C2A -103.6(6) 2_676
C5B Ru1 C3A C2A 76.4(3) .
C1A Ru1 C3A C2A 30.37(8) .
C1A Ru1 C3A C2A -149.63(8) 2_676
C2A Ru1 C3A C2A 180.0(8) 2_676
C6A Ru1 C3A C2A -111.9(5) 2_676
C6A Ru1 C3A C2A 68.10(16) .
C2A C3A C4A C5A 0.0 .
Ru1 C3A C4A C5A 53.0(2) .
C2A C3A C4A Ru1 -53.0(2) .
C1B Ru1 C4A C3A -104.6(3) 2_676
C1B Ru1 C4A C3A 75.4(3) .
C2B Ru1 C4A C3A 37.7(3) .
C2B Ru1 C4A C3A -142.3(7) 2_676
C5B Ru1 C4A C3A -71.0(7) 2_676
C5B Ru1 C4A C3A 109.0(4) .
C1A Ru1 C4A C3A 66.52(16) .
C1A Ru1 C4A C3A -113.48(16) 2_676
C2A Ru1 C4A C3A 29.05(9) .
C2A Ru1 C4A C3A -150.9(6) 2_676
C6A Ru1 C4A C3A -76.0(6) 2_676
C6A Ru1 C4A C3A 103.95(16) .
C1B Ru1 C4A C5A 122.5(3) 2_676
C1B Ru1 C4A C5A -57.5(3) .
C2B Ru1 C4A C5A -95.3(3) .
C2B Ru1 C4A C5A 84.7(6) 2_676
C5B Ru1 C4A C5A 156.0(7) 2_676
C5B Ru1 C4A C5A -24.0(4) .
C1A Ru1 C4A C5A -66.44(17) .
C1A Ru1 C4A C5A 113.56(17) 2_676
C2A Ru1 C4A C5A -103.91(17) .
C2A Ru1 C4A C5A 76.1(6) 2_676
C6A Ru1 C4A C5A 151.0(6) 2_676
C6A Ru1 C4A C5A -29.01(9) .
C3A C4A C5A C6A 0.0 .
Ru1 C4A C5A C6A 52.9(2) .
C3A C4A C5A Ru1 -52.9(2) .
C1B Ru1 C5A C6A 158.7(4) 2_676
C1B Ru1 C5A C6A -21.3(4) .
C2B Ru1 C5A C6A -58.5(3) .
C2B Ru1 C5A C6A 121.5(6) 2_676
C5B Ru1 C5A C6A 179.9(14) 2_676
C5B Ru1 C5A C6A -0.1(7) .
C1A Ru1 C5A C6A -30.34(9) .
C1A Ru1 C5A C6A 149.66(9) 2_676
C2A Ru1 C5A C6A -68.09(16) .
C2A Ru1 C5A C6A 111.9(6) 2_676
C6A Ru1 C5A C6A 180.0(8) 2_676
C1B Ru1 C5A C4A -69.2(4) 2_676
C1B Ru1 C5A C4A 110.8(4) .
C2B Ru1 C5A C4A 73.6(3) .
C2B Ru1 C5A C4A -106.4(6) 2_676
C5B Ru1 C5A C4A -47.9(14) 2_676
C5B Ru1 C5A C4A 132.1(7) .
C1A Ru1 C5A C4A 101.76(17) .
C1A Ru1 C5A C4A -78.24(17) 2_676
C2A Ru1 C5A C4A 64.02(16) .
C2A Ru1 C5A C4A -116.0(6) 2_676
C6A Ru1 C5A C4A -47.9(9) 2_676
C6A Ru1 C5A C4A 132.11(12) .
C4A C5A C6A C1A 0.0 .
Ru1 C5A C6A C1A 55.4(2) .
C4A C5A C6A Ru1 -55.4(2) .
C2A C1A C6A C5A 0.0 .
Ru1 C1A C6A C5A -58.2(2) .
C2A C1A C6A Ru1 58.2(2) .
C1B Ru1 C6A C5A -39.5(7) 2_676
C1B Ru1 C6A C5A 140.5(7) .
C2B Ru1 C6A C5A 108.0(4) .
C2B Ru1 C6A C5A -72.0(7) 2_676
C5B Ru1 C6A C5A -180(4) 2_676
C5B Ru1 C6A C5A 0(2) .
C1A Ru1 C6A C5A 130.48(12) .
C1A Ru1 C6A C5A -49.52(12) 2_676
C2A Ru1 C6A C5A 99.94(16) .
C2A Ru1 C6A C5A -80.1(6) 2_676
C6A Ru1 C6A C5A -18(100) 2_676
C1B Ru1 C6A C1A -170.0(7) 2_676
C1B Ru1 C6A C1A 10.0(7) .
C2B Ru1 C6A C1A -22.5(4) .
C2B Ru1 C6A C1A 157.5(7) 2_676
C5B Ru1 C6A C1A 50(4) 2_676
C5B Ru1 C6A C1A -130(2) .
C1A Ru1 C6A C1A 180.0 2_676
C2A Ru1 C6A C1A -30.53(8) .
C2A Ru1 C6A C1A 149.5(5) 2_676
C6A Ru1 C6A C1A -149(100) 2_676
C1B Ru1 C1B C2B 171(100) 2_676
C2B Ru1 C1B C2B 180.0(11) 2_676
C5B Ru1 C1B C2B 59.9(14) 2_676
C5B Ru1 C1B C2B -120.1(2) .
C1A Ru1 C1B C2B 7(2) .
C1A Ru1 C1B C2B -173(2) 2_676
C2A Ru1 C1B C2B -5.6(5) .
C2A Ru1 C1B C2B 174.4(6) 2_676
C6A Ru1 C1B C2B 50.5(8) 2_676
C6A Ru1 C1B C2B -129.5(7) .
C1B Ru1 C1B C5B -69(100) 2_676
C2B Ru1 C1B C5B 120.1(2) .
C2B Ru1 C1B C5B -59.9(12) 2_676
C5B Ru1 C1B C5B 180.0(13) 2_676
C1A Ru1 C1B C5B 128(2) .
C1A Ru1 C1B C5B -52(2) 2_676
C2A Ru1 C1B C5B 114.5(5) .
C2A Ru1 C1B C5B -65.5(5) 2_676
C6A Ru1 C1B C5B 170.7(9) 2_676
C6A Ru1 C1B C5B -9.3(7) .
C5B C1B C2B C3B 0.0 .
Ru1 C1B C2B C3B 57.5(3) .
C5B C1B C2B Ru1 -57.5(3) .
C1B Ru1 C2B C1B 180.0 2_676
C2B Ru1 C2B C1B 61(100) 2_676
C5B Ru1 C2B C1B -143.9(9) 2_676
C5B Ru1 C2B C1B 36.10(15) .
C1A Ru1 C2B C1B -2.4(8) .
C1A Ru1 C2B C1B 177.6(8) 2_676
C2A Ru1 C2B C1B 154(2) .
C2A Ru1 C2B C1B -26(2) 2_676
C6A Ru1 C2B C1B -153.4(5) 2_676
C6A Ru1 C2B C1B 26.6(4) .
C1B Ru1 C2B C3B 60.9(2) 2_676
C1B Ru1 C2B C3B -119.1(2) .
C2B Ru1 C2B C3B -58(100) 2_676
C5B Ru1 C2B C3B 97.0(9) 2_676
C5B Ru1 C2B C3B -83.0(2) .
C1A Ru1 C2B C3B -121.5(7) .
C1A Ru1 C2B C3B 58.5(7) 2_676
C2A Ru1 C2B C3B 35(2) .
C2A Ru1 C2B C3B -145(3) 2_676
C6A Ru1 C2B C3B 87.5(5) 2_676
C6A Ru1 C2B C3B -92.5(3) .
C1B C2B C3B C4B 0.0 .
Ru1 C2B C3B C4B 61.4(4) .
C1B C2B C3B Ru1 -61.4(4) .
C1B Ru1 C3B C2B -143.91(13) 2_676
C1B Ru1 C3B C2B 36.09(13) .
C2B Ru1 C3B C2B 180.0(12) 2_676
C5B Ru1 C3B C2B -102.2(9) 2_676
C5B Ru1 C3B C2B 77.8(2) .
C1A Ru1 C3B C2B 28.8(4) .
C1A Ru1 C3B C2B -151.2(4) 2_676
C2A Ru1 C3B C2B -10.4(6) .
C2A Ru1 C3B C2B 169.6(8) 2_676
C6A Ru1 C3B C2B -111.1(4) 2_676
C6A Ru1 C3B C2B 68.9(3) .
C1B Ru1 C3B C4B 99.6(2) 2_676
C1B Ru1 C3B C4B -80.4(2) .
C2B Ru1 C3B C4B -116.5(2) .
C2B Ru1 C3B C4B 63.5(13) 2_676
C5B Ru1 C3B C4B 141.3(8) 2_676
C5B Ru1 C3B C4B -38.69(13) .
C1A Ru1 C3B C4B -87.8(4) .
C1A Ru1 C3B C4B 92.2(4) 2_676
C2A Ru1 C3B C4B -127.0(6) .
C2A Ru1 C3B C4B 53.0(7) 2_676
C6A Ru1 C3B C4B 132.4(5) 2_676
C6A Ru1 C3B C4B -47.6(3) .
C2B C3B C4B C5B 0.0 .
Ru1 C3B C4B C5B 65.3(4) .
C2B C3B C4B Ru1 -65.3(4) .
C1B Ru1 C4B C5B 143.28(14) 2_676
C1B Ru1 C4B C5B -36.72(14) .
C2B Ru1 C4B C5B -78.1(2) .
C2B Ru1 C4B C5B 101.9(9) 2_676
C5B Ru1 C4B C5B 180.0(11) 2_676
C1A Ru1 C4B C5B -46.5(3) .
C1A Ru1 C4B C5B 133.5(3) 2_676
C2A Ru1 C4B C5B -88.2(3) .
C2A Ru1 C4B C5B 91.8(4) 2_676
C6A Ru1 C4B C5B 173.9(6) 2_676
C6A Ru1 C4B C5B -6.1(4) .
C1B Ru1 C4B C3B -100.7(2) 2_676
C1B Ru1 C4B C3B 79.3(2) .
C2B Ru1 C4B C3B 37.89(14) .
C2B Ru1 C4B C3B -142.1(9) 2_676
C5B Ru1 C4B C3B -64.0(12) 2_676
C5B Ru1 C4B C3B 115.98(18) .
C1A Ru1 C4B C3B 69.5(3) .
C1A Ru1 C4B C3B -110.5(3) 2_676
C2A Ru1 C4B C3B 27.8(3) .
C2A Ru1 C4B C3B -152.2(5) 2_676
C6A Ru1 C4B C3B -70.1(5) 2_676
C6A Ru1 C4B C3B 109.9(4) .
C3B C4B C5B C1B 0.0 .
Ru1 C4B C5B C1B 63.4(4) .
C3B C4B C5B Ru1 -63.4(4) .
C2B C1B C5B C4B 0.0 .
Ru1 C1B C5B C4B -58.7(4) .
C2B C1B C5B Ru1 58.7(4) .
C1B Ru1 C5B C4B -62.1(2) 2_676
C1B Ru1 C5B C4B 117.9(2) .
C2B Ru1 C5B C4B 82.2(2) .
C2B Ru1 C5B C4B -97.8(9) 2_676
C5B Ru1 C5B C4B -76(100) 2_676
C1A Ru1 C5B C4B 107.8(5) .
C1A Ru1 C5B C4B -72.2(5) 2_676
C2A Ru1 C5B C4B 73.3(3) .
C2A Ru1 C5B C4B -106.7(4) 2_676
C6A Ru1 C5B C4B -30(3) 2_676
C6A Ru1 C5B C4B 150(2) .
C1B Ru1 C5B C1B 180.0 2_676
C2B Ru1 C5B C1B -35.78(14) .
C2B Ru1 C5B C1B 144.2(9) 2_676
C5B Ru1 C5B C1B 166(100) 2_676
C1A Ru1 C5B C1B -10.2(5) .
C1A Ru1 C5B C1B 169.8(5) 2_676
C2A Ru1 C5B C1B -44.6(4) .
C2A Ru1 C5B C1B 135.4(4) 2_676
C6A Ru1 C5B C1B -148(3) 2_676
C6A Ru1 C5B C1B 32(2) .
C7A Ru2 C7A C8A 92(100) 2
C8A Ru2 C7A C8A 180.0(14) 2
C11A Ru2 C7A C8A 119.6(2) .
C11A Ru2 C7A C8A -60.4(15) 2
C7B Ru2 C7A C8A 147(4) 2
C7B Ru2 C7A C8A -33(4) .
C8B Ru2 C7A C8A 178.4(7) 2
C8B Ru2 C7A C8A -1.6(6) .
C12B Ru2 C7A C8A 130.3(7) .
C12B Ru2 C7A C8A -49.7(8) 2
C7A Ru2 C7A C11A -28(100) 2
C8A Ru2 C7A C11A -119.6(2) .
C8A Ru2 C7A C11A 60.4(15) 2
C11A Ru2 C7A C11A 180.0(14) 2
C7B Ru2 C7A C11A 27(4) 2
C7B Ru2 C7A C11A -153(4) .
C8B Ru2 C7A C11A 58.8(6) 2
C8B Ru2 C7A C11A -121.2(6) .
C12B Ru2 C7A C11A 10.7(7) .
C12B Ru2 C7A C11A -169.3(9) 2
C11A C7A C8A C9A 0.0 .
Ru2 C7A C8A C9A -58.9(4) .
C11A C7A C8A Ru2 58.9(4) .
C7A Ru2 C8A C7A 180.0 2
C8A Ru2 C8A C7A -145(100) 2
C11A Ru2 C8A C7A -36.17(16) .
C11A Ru2 C8A C7A 143.8(10) 2
C7B Ru2 C8A C7A -172.6(8) 2
C7B Ru2 C8A C7A 7.4(8) .
C8B Ru2 C8A C7A -11(5) 2
C8B Ru2 C8A C7A 169(4) .
C12B Ru2 C8A C7A -26.1(4) .
C12B Ru2 C8A C7A 153.9(5) 2
C7A Ru2 C8A C9A 118.2(2) .
C7A Ru2 C8A C9A -61.8(2) 2
C8A Ru2 C8A C9A -26(100) 2
C11A Ru2 C8A C9A 82.1(3) .
C11A Ru2 C8A C9A -97.9(11) 2
C7B Ru2 C8A C9A -54.4(8) 2
C7B Ru2 C8A C9A 125.6(8) .
C8B Ru2 C8A C9A 107(5) 2
C8B Ru2 C8A C9A -73(4) .
C12B Ru2 C8A C9A 92.1(4) .
C12B Ru2 C8A C9A -87.9(5) 2
C7A C8A C9A C10A 0.0 .
Ru2 C8A C9A C10A -62.6(4) .
C7A C8A C9A Ru2 62.6(4) .
C7A Ru2 C9A C10A 79.7(2) .
C7A Ru2 C9A C10A -100.3(2) 2
C8A Ru2 C9A C10A 116.3(2) .
C8A Ru2 C9A C10A -63.7(15) 2
C11A Ru2 C9A C10A 38.10(16) .
C11A Ru2 C9A C10A -141.9(10) 2
C7B Ru2 C9A C10A -92.6(4) 2
C7B Ru2 C9A C10A 87.4(4) .
C8B Ru2 C9A C10A -54.5(7) 2
C8B Ru2 C9A C10A 125.5(6) .
C12B Ru2 C9A C10A 47.1(3) .
C12B Ru2 C9A C10A -132.9(5) 2
C7A Ru2 C9A C8A -36.61(15) .
C7A Ru2 C9A C8A 143.39(15) 2
C8A Ru2 C9A C8A 180.0(14) 2
C11A Ru2 C9A C8A -78.2(2) .
C11A Ru2 C9A C8A 101.8(11) 2
C7B Ru2 C9A C8A 151.0(4) 2
C7B Ru2 C9A C8A -29.0(4) .
C8B Ru2 C9A C8A -170.9(7) 2
C8B Ru2 C9A C8A 9.1(7) .
C12B Ru2 C9A C8A -69.2(4) .
C12B Ru2 C9A C8A 110.8(5) 2
C8A C9A C10A C11A 0.0 .
Ru2 C9A C10A C11A -64.9(4) .
C8A C9A C10A Ru2 64.9(4) .
C7A Ru2 C10A C11A 36.53(15) .
C7A Ru2 C10A C11A -143.47(15) 2
C8A Ru2 C10A C11A 78.2(2) .
C8A Ru2 C10A C11A -101.8(10) 2
C11A Ru2 C10A C11A 180.0(14) 2
C7B Ru2 C10A C11A -136.4(4) 2
C7B Ru2 C10A C11A 43.6(4) .
C8B Ru2 C10A C11A -95.9(5) 2
C8B Ru2 C10A C11A 84.1(4) .
C12B Ru2 C10A C11A 5.6(5) .
C12B Ru2 C10A C11A -174.4(7) 2
C7A Ru2 C10A C9A -79.9(2) .
C7A Ru2 C10A C9A 100.1(2) 2
C8A Ru2 C10A C9A -38.20(16) .
C8A Ru2 C10A C9A 141.8(10) 2
C11A Ru2 C10A C9A -116.4(2) .
C11A Ru2 C10A C9A 63.6(15) 2
C7B Ru2 C10A C9A 107.1(4) 2
C7B Ru2 C10A C9A -72.9(4) .
C8B Ru2 C10A C9A 147.6(5) 2
C8B Ru2 C10A C9A -32.4(4) .
C12B Ru2 C10A C9A -110.8(5) .
C12B Ru2 C10A C9A 69.2(6) 2
C9A C10A C11A C7A 0.0 .
Ru2 C10A C11A C7A -62.3(4) .
C9A C10A C11A Ru2 62.3(4) .
C8A C7A C11A C10A 0.0 .
Ru2 C7A C11A C10A 58.7(4) .
C8A C7A C11A Ru2 -58.7(4) .
C7A Ru2 C11A C10A -118.4(2) .
C7A Ru2 C11A C10A 61.6(2) 2
C8A Ru2 C11A C10A -82.1(3) .
C8A Ru2 C11A C10A 97.9(10) 2
C11A Ru2 C11A C10A -26(100) 2
C7B Ru2 C11A C10A 66.4(6) 2
C7B Ru2 C11A C10A -113.6(6) .
C8B Ru2 C11A C10A 100.5(5) 2
C8B Ru2 C11A C10A -79.5(4) .
C12B Ru2 C11A C10A -154(2) .
C12B Ru2 C11A C10A 26(3) 2
C7A Ru2 C11A C7A 180.0 2
C8A Ru2 C11A C7A 36.21(16) .
C8A Ru2 C11A C7A -143.8(10) 2
C11A Ru2 C11A C7A 93(100) 2
C7B Ru2 C11A C7A -175.3(6) 2
C7B Ru2 C11A C7A 4.7(6) .
C8B Ru2 C11A C7A -141.1(5) 2
C8B Ru2 C11A C7A 38.9(5) .
C12B Ru2 C11A C7A -35(2) .
C12B Ru2 C11A C7A 145(3) 2
C7A Ru2 C7B C8B 144(3) .
C7A Ru2 C7B C8B -36(3) 2
C8A Ru2 C7B C8B 3.0(8) .
C8A Ru2 C7B C8B -177.0(14) 2
C11A Ru2 C7B C8B 120.1(5) .
C11A Ru2 C7B C8B -59.9(10) 2
C7B Ru2 C7B C8B 7(48) 2
C8B Ru2 C7B C8B 180.0(8) 2
C12B Ru2 C7B C8B 130.05(11) .
C12B Ru2 C7B C8B -50.0(8) 2
C7A Ru2 C7B C12B 14(4) .
C7A Ru2 C7B C12B -166(4) 2
C8A Ru2 C7B C12B -127.0(8) .
C8A Ru2 C7B C12B 53.0(13) 2
C11A Ru2 C7B C12B -9.9(5) .
C11A Ru2 C7B C12B 170.1(10) 2
C7B Ru2 C7B C12B -123(48) 2
C8B Ru2 C7B C12B 50.0(9) 2
C8B Ru2 C7B C12B -130.05(11) .
C12B Ru2 C7B C12B 180.0(8) 2
C12B C7B C8B F2B -178.1(8) .
Ru2 C7B C8B F2B 124.2(7) .
C12B C7B C8B C9B 0.0 .
Ru2 C7B C8B C9B -57.7(2) .
C12B C7B C8B Ru2 57.7(2) .
C7A Ru2 C8B F2B -116.3(9) .
C7A Ru2 C8B F2B 63.7(9) 2
C8A Ru2 C8B F2B -126(5) .
C8A Ru2 C8B F2B 54(8) 2
C11A Ru2 C8B F2B -150.1(8) .
C11A Ru2 C8B F2B 29.9(11) 2
C7B Ru2 C8B F2B 69.9(7) 2
C7B Ru2 C8B F2B -110.1(7) .
C8B Ru2 C8B F2B 81(100) 2
C12B Ru2 C8B F2B -140.4(7) .
C12B Ru2 C8B F2B 39.6(7) 2
C7A Ru2 C8B C7B -6.1(6) .
C7A Ru2 C8B C7B 173.9(6) 2
C8A Ru2 C8B C7B -16(4) .
C8A Ru2 C8B C7B 164(7) 2
C11A Ru2 C8B C7B -40.0(3) .
C11A Ru2 C8B C7B 140.0(8) 2
C7B Ru2 C8B C7B 180.0 2
C8B Ru2 C8B C7B -169(100) 2
C12B Ru2 C8B C7B -30.27(8) .
C12B Ru2 C8B C7B 149.7(6) 2
C7A Ru2 C8B C9B 124.5(6) .
C7A Ru2 C8B C9B -55.5(6) 2
C8A Ru2 C8B C9B 115(4) .
C8A Ru2 C8B C9B -65(7) 2
C11A Ru2 C8B C9B 90.6(3) .
C11A Ru2 C8B C9B -89.4(7) 2
C7B Ru2 C8B C9B -49.38(12) 2
C7B Ru2 C8B C9B 130.62(12) .
C8B Ru2 C8B C9B -39(100) 2
C12B Ru2 C8B C9B 100.35(15) .
C12B Ru2 C8B C9B -79.6(6) 2
F2B C8B C9B C10B 178.0(8) .
C7B C8B C9B C10B 0.0 .
Ru2 C8B C9B C10B -55.5(2) .
F2B C8B C9B Ru2 -126.4(7) .
C7B C8B C9B Ru2 55.5(2) .
C7A Ru2 C9B C8B -37.1(4) .
C7A Ru2 C9B C8B 142.9(4) 2
C8A Ru2 C9B C8B -8.4(6) .
C8A Ru2 C9B C8B 171.6(11) 2
C11A Ru2 C9B C8B -76.4(3) .
C11A Ru2 C9B C8B 103.6(7) 2
C7B Ru2 C9B C8B 149.84(9) 2
C7B Ru2 C9B C8B -30.16(9) .
C8B Ru2 C9B C8B 180.0(8) 2
C12B Ru2 C9B C8B -67.66(17) .
C12B Ru2 C9B C8B 112.3(6) 2
C7A Ru2 C9B C10B 94.8(4) .
C7A Ru2 C9B C10B -85.2(4) 2
C8A Ru2 C9B C10B 123.6(6) .
C8A Ru2 C9B C10B -56.4(11) 2
C11A Ru2 C9B C10B 55.5(3) .
C11A Ru2 C9B C10B -124.5(7) 2
C7B Ru2 C9B C10B -78.22(17) 2
C7B Ru2 C9B C10B 101.78(17) .
C8B Ru2 C9B C10B -48.1(9) 2
C8B Ru2 C9B C10B 131.94(12) .
C12B Ru2 C9B C10B 64.28(16) .
C12B Ru2 C9B C10B -115.7(6) 2
C8B C9B C10B C11B 0.0 .
Ru2 C9B C10B C11B -53.4(2) .
C8B C9B C10B Ru2 53.4(2) .
C7A Ru2 C10B C11B 59.1(4) .
C7A Ru2 C10B C11B -120.9(4) 2
C8A Ru2 C10B C11B 97.2(4) .
C8A Ru2 C10B C11B -82.8(7) 2
C11A Ru2 C10B C11B 23.5(4) .
C11A Ru2 C10B C11B -156.5(9) 2
C7B Ru2 C10B C11B -113.72(17) 2
C7B Ru2 C10B C11B 66.28(17) .
C8B Ru2 C10B C11B -76.4(6) 2
C8B Ru2 C10B C11B 103.57(17) .
C12B Ru2 C10B C11B 29.04(9) .
C12B Ru2 C10B C11B -151.0(6) 2
C7A Ru2 C10B C9B -73.6(4) .
C7A Ru2 C10B C9B 106.4(4) 2
C8A Ru2 C10B C9B -35.5(4) .
C8A Ru2 C10B C9B 144.5(8) 2
C11A Ru2 C10B C9B -109.2(4) .
C11A Ru2 C10B C9B 70.8(8) 2
C7B Ru2 C10B C9B 113.60(17) 2
C7B Ru2 C10B C9B -66.40(17) .
C8B Ru2 C10B C9B 150.9(6) 2
C8B Ru2 C10B C9B -29.11(9) .
C12B Ru2 C10B C9B -103.64(18) .
C12B Ru2 C10B C9B 76.4(7) 2
C9B C10B C11B C12B 0.0 .
Ru2 C10B C11B C12B -53.3(2) .
C9B C10B C11B Ru2 53.3(2) .
C7A Ru2 C11B C10B -107.5(4) .
C7A Ru2 C11B C10B 72.5(4) 2
C8A Ru2 C11B C10B -69.1(4) .
C8A Ru2 C11B C10B 110.9(7) 2
C11A Ru2 C11B C10B -132.6(8) .
C11A Ru2 C11B C10B 47.4(16) 2
C7B Ru2 C11B C10B 78.11(17) 2
C7B Ru2 C11B C10B -101.89(17) .
C8B Ru2 C11B C10B 115.6(6) 2
C8B Ru2 C11B C10B -64.38(16) .
C12B Ru2 C11B C10B -132.02(13) .
C12B Ru2 C11B C10B 48.0(9) 2
C7A Ru2 C11B C12B 24.5(5) .
C7A Ru2 C11B C12B -155.5(5) 2
C8A Ru2 C11B C12B 63.0(4) .
C8A Ru2 C11B C12B -117.0(7) 2
C11A Ru2 C11B C12B -0.6(8) .
C11A Ru2 C11B C12B 179.4(17) 2
C7B Ru2 C11B C12B -149.88(9) 2
C7B Ru2 C11B C12B 30.12(9) .
C8B Ru2 C11B C12B -112.4(6) 2
C8B Ru2 C11B C12B 67.64(17) .
C12B Ru2 C11B C12B 180.0(8) 2
C10B C11B C12B C7B 0.0 .
Ru2 C11B C12B C7B -55.4(2) .
C10B C11B C12B Ru2 55.4(2) .
C8B C7B C12B C11B 0.0 .
Ru2 C7B C12B C11B 57.6(2) .
C8B C7B C12B Ru2 -57.6(2) .
C7A Ru2 C12B C11B -134.1(8) .
C7A Ru2 C12B C11B 45.9(8) 2
C8A Ru2 C12B C11B -102.0(4) .
C8A Ru2 C12B C11B 78.0(8) 2
C11A Ru2 C12B C11B 2(2) .
C11A Ru2 C12B C11B -178(5) 2
C7B Ru2 C12B C11B 49.31(12) 2
C7B Ru2 C12B C11B -130.69(12) .
C8B Ru2 C12B C11B 79.6(6) 2
C8B Ru2 C12B C11B -100.39(15) .
C12B Ru2 C12B C11B -60(100) 2
C7A Ru2 C12B C7B -3.4(9) .
C7A Ru2 C12B C7B 176.6(9) 2
C8A Ru2 C12B C7B 28.7(5) .
C8A Ru2 C12B C7B -151.3(8) 2
C11A Ru2 C12B C7B 132(2) .
C11A Ru2 C12B C7B -48(5) 2
C7B Ru2 C12B C7B 180.0 2
C8B Ru2 C12B C7B -149.7(6) 2
C8B Ru2 C12B C7B 30.30(9) .
C12B Ru2 C12B C7B 70(100) 2
F18B F15 F17B C35 -23.4(16) .
C35 F15 F17B F16B 25.6(10) .
F18B F15 F17B F16B 2(2) .
C35 F16B F17B F15 -40.3(18) .
F17B F15 F18B C35 25.3(19) .
C18 C13 C14 C15 1.5(6) .
B1 C13 C14 C15 173.5(4) .
C13 C14 C15 C16 -1.0(6) .
C13 C14 C15 C19 -176.2(4) .
C14 C15 C16 C17 -0.3(6) .
C19 C15 C16 C17 174.9(4) .
C15 C16 C17 C18 1.0(7) .
C15 C16 C17 C20 -179.1(4) .
C16 C17 C18 C13 -0.4(7) .
C20 C17 C18 C13 179.7(4) .
C14 C13 C18 C17 -0.8(6) .
B1 C13 C18 C17 -172.6(4) .
C16 C15 C19 F4 146.7(4) .
C14 C15 C19 F4 -38.0(6) .
C16 C15 C19 F5 25.6(6) .
C14 C15 C19 F5 -159.1(4) .
C16 C15 C19 F3 -93.8(5) .
C14 C15 C19 F3 81.5(5) .
C18 C17 C20 F7B -9(2) .
C16 C17 C20 F7B 171(2) .
C18 C17 C20 F8B 120.5(18) .
C16 C17 C20 F8B -59.4(18) .
C18 C17 C20 F6 173.3(6) .
C16 C17 C20 F6 -6.6(8) .
C18 C17 C20 F8 50.5(7) .
C16 C17 C20 F8 -129.4(6) .
C18 C17 C20 F6B -124.8(11) .
C16 C17 C20 F6B 55.3(12) .
C18 C17 C20 F7 -62.1(7) .
C16 C17 C20 F7 118.0(6) .
C26 C21 C22 C23 1.4(6) .
B1 C21 C22 C23 172.3(4) .
C21 C22 C23 C24 -1.3(6) .
C21 C22 C23 C27 178.6(4) .
C22 C23 C24 C25 0.0(6) .
C27 C23 C24 C25 -179.9(4) .
C23 C24 C25 C26 1.0(6) .
C23 C24 C25 C28 -177.5(4) .
C24 C25 C26 C21 -0.9(6) .
C28 C25 C26 C21 177.7(4) .
C22 C21 C26 C25 -0.4(6) .
B1 C21 C26 C25 -171.2(4) .
C24 C23 C27 F11 -134.5(4) .
C22 C23 C27 F11 45.5(5) .
C24 C23 C27 F10 -14.9(6) .
C22 C23 C27 F10 165.1(4) .
C24 C23 C27 F9 105.7(5) .
C22 C23 C27 F9 -74.3(5) .
C24 C25 C28 F14 8.1(6) .
C26 C25 C28 F14 -170.5(4) .
C24 C25 C28 F13 -115.8(4) .
C26 C25 C28 F13 65.6(5) .
C24 C25 C28 F12 126.5(4) .
C26 C25 C28 F12 -52.1(5) .
C34 C29 C30 C31 1.5(6) .
B1 C29 C30 C31 174.6(4) .
C29 C30 C31 C32 -0.9(6) .
C29 C30 C31 C35 -178.8(4) .
C30 C31 C32 C33 -0.3(6) .
C35 C31 C32 C33 177.6(4) .
C31 C32 C33 C34 0.8(6) .
C31 C32 C33 C36 179.4(4) .
C32 C33 C34 C29 -0.2(6) .
C36 C33 C34 C29 -178.8(4) .
C30 C29 C34 C33 -0.9(6) .
B1 C29 C34 C33 -174.1(4) .
F15 F17B C35 F16B 143.1(16) .
F15 F17B C35 F16 82(2) .
F16B F17B C35 F16 -61.3(14) .
F16B F17B C35 F15 -143.1(16) .
F15 F17B C35 F17 169(2) .
F16B F17B C35 F17 26.0(13) .
F15 F17B C35 F18B 31(2) .
F16B F17B C35 F18B -111.6(15) .
F15 F17B C35 C31 -92.4(17) .
F16B F17B C35 C31 124.5(14) .
F17B F16B C35 F16 124.2(15) .
F17B F16B C35 F15 31.6(15) .
F17B F16B C35 F17 -28.9(16) .
F17B F16B C35 F18B 118.8(17) .
F17B F16B C35 C31 -127.7(15) .
F18B F15 C35 F17B 151(2) .
F17B F15 C35 F16B -52(2) .
F18B F15 C35 F16B 99.4(16) .
F17B F15 C35 F16 -120(2) .
F18B F15 C35 F16 31.2(9) .
F17B F15 C35 F17 -9(2) .
F18B F15 C35 F17 141.7(10) .
F17B F15 C35 F18B -151(2) .
F17B F15 C35 C31 108(2) .
F18B F15 C35 C31 -101.2(10) .
F15 F18B C35 F17B -20.5(16) .
F15 F18B C35 F16B -129.8(9) .
F15 F18B C35 F16 -136.4(12) .
F15 F18B C35 F17 -88.1(14) .
F15 F18B C35 C31 110.5(5) .
C32 C31 C35 F17B 179.6(18) .
C30 C31 C35 F17B -2.5(19) .
C32 C31 C35 F16B -62.5(12) .
C30 C31 C35 F16B 115.4(11) .
C32 C31 C35 F16 4.9(9) .
C30 C31 C35 F16 -177.2(8) .
C32 C31 C35 F15 134.3(5) .
C30 C31 C35 F15 -47.8(7) .
C32 C31 C35 F17 -116.8(6) .
C30 C31 C35 F17 61.1(6) .
C32 C31 C35 F18B 51.1(10) .
C30 C31 C35 F18B -131.0(10) .
C32 C33 C36 F20 -101.4(5) .
C34 C33 C36 F20 77.2(6) .
C32 C33 C36 F18 138.8(4) .
C34 C33 C36 F18 -42.6(6) .
C32 C33 C36 F19 19.8(6) .
C34 C33 C36 F19 -161.6(4) .
C42 C37 C38 C39 0.5(6) .
B1 C37 C38 C39 172.3(4) .
C37 C38 C39 C40 -0.2(6) .
C37 C38 C39 C43 -179.3(4) .
C38 C39 C40 C41 -0.4(6) .
C43 C39 C40 C41 178.6(4) .
C39 C40 C41 C42 0.7(6) .
C39 C40 C41 C44 -174.3(4) .
C40 C41 C42 C37 -0.4(6) .
C44 C41 C42 C37 174.6(4) .
C38 C37 C42 C41 -0.3(6) .
B1 C37 C42 C41 -171.8(4) .
C40 C39 C43 F26B 160.2(12) .
C38 C39 C43 F26B -20.8(13) .
C40 C39 C43 F25B -71.4(11) .
C38 C39 C43 F25B 107.6(10) .
C40 C39 C43 F25 -13.0(8) .
C38 C39 C43 F25 166.0(6) .
C40 C39 C43 F24 118.5(5) .
C38 C39 C43 F24 -62.5(6) .
C40 C39 C43 F26 -131.4(5) .
C38 C39 C43 F26 47.6(6) .
C40 C39 C43 F24B 43.6(7) .
C38 C39 C43 F24B -137.4(7) .
C42 C41 C44 F22 39.4(5) .
C40 C41 C44 F22 -145.5(4) .
C42 C41 C44 F23 160.3(4) .
C40 C41 C44 F23 -24.6(5) .
C42 C41 C44 F21 -80.6(5) .
C40 C41 C44 F21 94.4(4) .
C42 C37 B1 C21 -40.6(5) .
C38 C37 B1 C21 148.3(4) .
C42 C37 B1 C13 -157.5(4) .
C38 C37 B1 C13 31.3(5) .
C42 C37 B1 C29 81.0(4) .
C38 C37 B1 C29 -90.1(4) .
C22 C21 B1 C37 155.0(4) .
C26 C21 B1 C37 -34.7(5) .
C22 C21 B1 C13 -82.7(4) .
C26 C21 B1 C13 87.6(4) .
C22 C21 B1 C29 38.7(5) .
C26 C21 B1 C29 -151.0(4) .
C18 C13 B1 C37 -146.3(4) .
C14 C13 B1 C37 42.4(5) .
C18 C13 B1 C21 90.6(4) .
C14 C13 B1 C21 -80.8(4) .
C18 C13 B1 C29 -30.4(5) .
C14 C13 B1 C29 158.2(4) .
C30 C29 B1 C37 -90.1(4) .
C34 C29 B1 C37 82.7(4) .
C30 C29 B1 C21 32.6(5) .
C34 C29 B1 C21 -154.6(4) .
C30 C29 B1 C13 148.5(4) .
C34 C29 B1 C13 -38.8(5) .
