#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:33:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179146 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/07/4310735.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_4310735
loop_
_publ_author_name
'Tilmann J. Geldbach'
'Frank Breher'
'Volker Gramlich'
'P. G. Anil Kumar'
'Paul S. Pregosin'
_publ_section_title
;
 X-ray Diffraction and NMR Studies on a Series of Binap-Based Ru(II)
 Hydroxyphosphine π-Arene Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1920
_journal_page_last               1928
_journal_paper_doi               10.1021/ic0352147
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C146 H114 B2 F48 O8 P4 Ru2'
_chemical_formula_weight         3256.01
_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                108.787(6)
_cell_angle_beta                 92.473(6)
_cell_angle_gamma                102.810(6)
_cell_formula_units_Z            1
_cell_length_a                   14.154(4)
_cell_length_b                   16.131(5)
_cell_length_c                   16.602(5)
_cell_measurement_temperature    233(2)
_cell_volume                     3472.2(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      233(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0486
_diffrn_reflns_av_sigmaI/netI    0.0747
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30974
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    0.386
_exptl_absorpt_correction_type   empirical(SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1644
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.859
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1091
_refine_ls_number_reflns         14185
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0494
_refine_ls_shift/su_max          2.432
_refine_ls_shift/su_mean         0.041
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0764P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
_refine_ls_wR_factor_ref         0.1368
_reflns_number_gt                9006
_reflns_number_total             14185
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0352147si20031216_102834.cif
_cod_data_source_block           am
_cod_database_code               4310735
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 0.99610(2) 0.636850(19) 0.58100(2) 0.03595(10) Uani 1 1 d . . .
P1 P 0.88659(7) 0.57078(6) 0.65506(7) 0.0396(2) Uani 1 1 d . . .
P2 P 1.09304(7) 0.54829(6) 0.59331(6) 0.0386(2) Uani 1 1 d . . .
O1 O 1.06083(17) 0.44737(15) 0.54511(16) 0.0416(6) Uani 1 1 d . . .
O3 O 1.1200(2) 0.56168(19) 0.69081(17) 0.0537(7) Uani 1 1 d . . .
H3 H 1.1614 0.5336 0.6950 0.080 Uiso 1 1 calc R . .
O2 O 1.19604(18) 0.58503(18) 0.5642(2) 0.0538(7) Uani 1 1 d . . .
H2 H 1.2362 0.5589 0.5760 0.081 Uiso 1 1 calc R . .
C100 C 1.3021(2) 0.8515(2) 1.1211(2) 0.0405(8) Uani 1 1 d . . .
C204 C 1.1194(3) 0.9339(2) 1.3348(3) 0.0450(9) Uani 1 1 d . D .
C10 C 0.8949(3) 0.7942(2) 0.5084(3) 0.0522(10) Uani 1 1 d . . .
H10A H 0.9060 0.7898 0.4519 0.063 Uiso 1 1 calc R . .
F11 F 1.0397(2) 0.6446(2) 1.0586(2) 0.0951(10) Uani 1 1 d . . .
C400 C 1.3880(2) 1.0250(2) 1.2224(2) 0.0364(8) Uani 1 1 d . . .
C3 C 0.9625(3) 0.7768(2) 0.5612(3) 0.0439(9) Uani 1 1 d . . .
C200 C 1.2797(2) 0.9240(2) 1.2896(2) 0.0364(8) Uani 1 1 d . . .
C6 C 1.1036(3) 0.7476(2) 0.6717(3) 0.0440(9) Uani 1 1 d . . .
H6A H 1.1519 0.7360 0.7090 0.053 Uiso 1 1 calc R . .
C401 C 1.3373(2) 1.0614(2) 1.1747(2) 0.0392(8) Uani 1 1 d . . .
H40A H 1.2851 1.0225 1.1333 0.047 Uiso 1 1 calc R . .
C20 C 0.7614(3) 0.5712(2) 0.6229(3) 0.0471(10) Uani 1 1 d . . .
C7 C 0.8567(3) 0.8039(2) 0.6736(3) 0.0465(9) Uani 1 1 d . . .
H7A H 0.8421 0.8063 0.7289 0.056 Uiso 1 1 calc R . .
C1' C 0.9781(2) 0.7334(2) 0.7742(2) 0.0403(8) Uani 1 1 d . . .
C302 C 1.6157(3) 0.8708(3) 1.2188(3) 0.0547(11) Uani 1 1 d . B .
C5 C 1.1251(3) 0.7532(2) 0.5902(3) 0.0463(9) Uani 1 1 d . . .
H5A H 1.1863 0.7401 0.5690 0.056 Uiso 1 1 calc R . .
C205 C 1.1814(3) 0.9205(2) 1.2717(2) 0.0405(8) Uani 1 1 d . . .
H20A H 1.1561 0.9087 1.2148 0.049 Uiso 1 1 calc R . .
C301 C 1.5375(3) 0.9081(3) 1.2084(3) 0.0480(10) Uani 1 1 d . . .
H30A H 1.5458 0.9528 1.1825 0.058 Uiso 1 1 calc R . .
C4 C 1.0530(3) 0.7566(2) 0.5343(3) 0.0465(9) Uani 1 1 d . . .
H4A H 1.0629 0.7440 0.4732 0.056 Uiso 1 1 calc R . .
C101 C 1.3342(3) 0.8646(3) 1.0468(2) 0.0453(9) Uani 1 1 d . . .
H10B H 1.3834 0.9167 1.0524 0.054 Uiso 1 1 calc R . .
C202 C 1.2512(3) 0.9578(2) 1.4388(3) 0.0478(10) Uani 1 1 d . E .
F10 F 1.0795(3) 0.5782(2) 0.9375(2) 0.1193(13) Uani 1 1 d . . .
C104 C 1.1922(3) 0.7116(3) 1.0261(3) 0.0556(11) Uani 1 1 d . . .
C305 C 1.4408(3) 0.8135(3) 1.2720(3) 0.0499(10) Uani 1 1 d . . .
H30B H 1.3813 0.7919 1.2903 0.060 Uiso 1 1 calc R . .
C8 C 0.7952(3) 0.8238(3) 0.6216(3) 0.0558(11) Uani 1 1 d . . .
H8A H 0.7396 0.8422 0.6420 0.067 Uiso 1 1 calc R . .
C304 C 1.5189(3) 0.7772(3) 1.2824(3) 0.0627(12) Uani 1 1 d . C .
C105 C 1.2310(3) 0.7716(2) 1.1076(3) 0.0471(9) Uani 1 1 d . . .
H10C H 1.2085 0.7579 1.1554 0.057 Uiso 1 1 calc R . .
C2 C 0.9423(3) 0.7798(2) 0.6451(2) 0.0403(9) Uani 1 1 d . . .
C300 C 1.4475(3) 0.8805(2) 1.2355(2) 0.0410(9) Uani 1 1 d . . .
C1 C 1.0080(3) 0.7509(2) 0.6954(2) 0.0387(8) Uani 1 1 d . . .
C2' C 1.0084(3) 0.8000(3) 0.8568(2) 0.0452(9) Uani 1 1 d . . .
C102 C 1.2970(3) 0.8048(3) 0.9652(3) 0.0526(10) Uani 1 1 d . F .
C8' C 1.1014(3) 0.9471(3) 0.9508(3) 0.0667(13) Uani 1 1 d . . .
H8'A H 1.1438 1.0037 0.9584 0.080 Uiso 1 1 calc R . .
C201 C 1.3120(3) 0.9441(2) 1.3756(2) 0.0425(9) Uani 1 1 d . . .
H20B H 1.3780 0.9485 1.3914 0.051 Uiso 1 1 calc R . .
C7' C 1.0724(3) 0.8859(3) 0.8701(3) 0.0548(11) Uani 1 1 d . . .
H7'A H 1.0949 0.9007 0.8228 0.066 Uiso 1 1 calc R . .
C6' C 0.9179(3) 0.6503(3) 0.7648(3) 0.0449(9) Uani 1 1 d . . .
B1 B 1.3543(3) 0.9190(3) 1.2169(3) 0.0401(10) Uani 1 1 d . . .
C9 C 0.8133(3) 0.8173(3) 0.5387(3) 0.0602(12) Uani 1 1 d . . .
H9A H 0.7685 0.8292 0.5030 0.072 Uiso 1 1 calc R . .
C303 C 1.6067(3) 0.8059(3) 1.2559(3) 0.0614(12) Uani 1 1 d . . .
H30C H 1.6595 0.7814 1.2631 0.074 Uiso 1 1 calc R . .
C3' C 0.9752(3) 0.7798(3) 0.9291(3) 0.0512(10) Uani 1 1 d . . .
F12 F 1.1496(3) 0.5742(2) 1.0525(3) 0.1302(15) Uani 1 1 d . . .
C5' C 0.8835(3) 0.6314(3) 0.8379(3) 0.0550(11) Uani 1 1 d . . .
H5'A H 0.8414 0.5751 0.8315 0.066 Uiso 1 1 calc R . .
C203 C 1.1545(3) 0.9519(3) 1.4187(3) 0.0521(10) Uani 1 1 d . . .
H20C H 1.1129 0.9601 1.4617 0.062 Uiso 1 1 calc R . .
C103 C 1.2232(3) 0.7269(3) 0.9545(3) 0.0620(12) Uani 1 1 d . . .
H10D H 1.1958 0.6865 0.8995 0.074 Uiso 1 1 calc R . .
C25 C 0.7402(3) 0.5945(3) 0.5527(3) 0.0533(11) Uani 1 1 d . . .
H25A H 0.7896 0.6078 0.5194 0.064 Uiso 1 1 calc R . .
C4' C 0.9117(3) 0.6948(3) 0.9166(3) 0.0633(12) Uani 1 1 d . . .
H4'A H 0.8882 0.6818 0.9644 0.076 Uiso 1 1 calc R . .
C10' C 1.0072(4) 0.8458(3) 1.0118(3) 0.0660(13) Uani 1 1 d . . .
H10E H 0.9853 0.8333 1.0604 0.079 Uiso 1 1 calc R . .
C9' C 1.0692(4) 0.9271(3) 1.0217(3) 0.0697(13) Uani 1 1 d . . .
H9'A H 1.0904 0.9699 1.0769 0.084 Uiso 1 1 calc R . .
C106 C 1.1161(4) 0.6274(3) 1.0177(4) 0.0811(16) Uani 1 1 d . . .
C21 C 0.6882(3) 0.5508(3) 0.6713(3) 0.0635(12) Uani 1 1 d . . .
H21 H 0.7020 0.5346 0.7193 0.076 Uiso 1 1 calc R . .
C306 C 1.7108(4) 0.9043(5) 1.1904(4) 0.0782(15) Uani 1 1 d . . .
C107 C 1.3352(5) 0.8213(5) 0.8891(3) 0.0771(15) Uani 1 1 d . . .
C307 C 1.5086(6) 0.7070(6) 1.3249(7) 0.107(2) Uani 1 1 d . . .
C402 C 1.3603(3) 1.1526(3) 1.1856(2) 0.0414(9) Uani 1 1 d . A .
F41 F 1.2101(3) 1.1444(3) 1.1144(4) 0.088(2) Uani 0.844(14) 1 d P A 1
F41' F 1.292(6) 1.143(2) 1.058(2) 0.19(4) Uani 0.156(14) 1 d P A 2
F40 F 1.3333(6) 1.1712(7) 1.0532(4) 0.116(4) Uani 0.844(14) 1 d P A 1
F40' F 1.361(3) 1.262(3) 1.124(4) 0.15(2) Uani 0.156(14) 1 d P A 2
C403 C 1.4365(3) 1.2119(2) 1.2453(2) 0.0452(9) Uani 1 1 d . . .
H40B H 1.4530 1.2738 1.2523 0.054 Uiso 1 1 calc R . .
C405 C 1.4636(2) 1.0873(2) 1.2826(2) 0.0418(9) Uani 1 1 d . . .
H40C H 1.5000 1.0663 1.3170 0.050 Uiso 1 1 calc R . .
C30 C 0.8716(3) 0.4593(2) 0.6650(3) 0.0473(10) Uani 1 1 d . . .
C35 C 0.7969(3) 0.3872(2) 0.6140(3) 0.0529(10) Uani 1 1 d . . .
H35A H 0.7542 0.3957 0.5740 0.064 Uiso 1 1 calc R . .
C406 C 1.3051(4) 1.1865(3) 1.1287(3) 0.0588(11) Uani 1 1 d . . .
C23 C 0.5742(4) 0.5786(4) 0.5791(4) 0.0842(19) Uani 1 1 d . . .
H23A H 0.5103 0.5815 0.5648 0.101 Uiso 1 1 calc R . .
C31 C 0.9324(3) 0.4458(3) 0.7241(3) 0.0622(12) Uani 1 1 d . . .
H31A H 0.9830 0.4939 0.7595 0.075 Uiso 1 1 calc R . .
C24 C 0.6449(3) 0.5984(3) 0.5307(4) 0.0713(14) Uani 1 1 d . . .
H24A H 0.6302 0.6147 0.4830 0.086 Uiso 1 1 calc R . .
F31 F 1.7050(11) 0.9116(19) 1.1164(8) 0.152(11) Uani 0.57(3) 1 d P B 1
F31' F 1.7380(19) 0.8287(10) 1.1314(18) 0.114(6) Uani 0.43(3) 1 d P B 2
F34 F 1.4378(9) 0.6988(11) 1.3665(9) 0.093(5) Uani 0.48(2) 1 d P C 1
F34' F 1.510(4) 0.7426(19) 1.4061(17) 0.306(19) Uani 0.52(2) 1 d P C 2
C22 C 0.5948(4) 0.5544(4) 0.6481(4) 0.0840(18) Uani 1 1 d . . .
H22A H 0.5447 0.5400 0.6803 0.101 Uiso 1 1 calc R . .
F20 F 0.9947(9) 0.9438(18) 1.2411(10) 0.108(6) Uani 0.60(3) 1 d P D 1
F20' F 1.0041(14) 0.9827(18) 1.276(3) 0.122(11) Uani 0.40(3) 1 d P D 2
C206 C 1.2905(4) 0.9803(4) 1.5306(3) 0.0686(13) Uani 1 1 d . . .
C207 C 1.0140(3) 0.9262(3) 1.3097(4) 0.0627(12) Uani 1 1 d . . .
F22 F 0.9617(6) 0.8480(9) 1.3020(19) 0.112(6) Uani 0.60(3) 1 d P D 1
F22' F 0.9705(11) 0.8471(16) 1.246(2) 0.108(8) Uani 0.40(3) 1 d P D 2
F25 F 1.3850(7) 1.0107(17) 1.5476(7) 0.111(8) Uani 0.56(3) 1 d P E 1
F25' F 1.340(3) 0.924(2) 1.5381(9) 0.151(13) Uani 0.44(3) 1 d P E 2
F21 F 0.9786(10) 0.9839(15) 1.3724(10) 0.119(5) Uani 0.60(3) 1 d P D 1
F21' F 0.9599(12) 0.928(3) 1.3680(14) 0.107(8) Uani 0.40(3) 1 d P D 2
F24 F 1.2570(15) 1.0475(13) 1.5827(5) 0.107(6) Uani 0.56(3) 1 d P E 1
F24' F 1.347(3) 1.0556(14) 1.5611(11) 0.159(17) Uani 0.44(3) 1 d P E 2
F32 F 1.7486(13) 0.9951(7) 1.2383(9) 0.103(4) Uani 0.57(3) 1 d P B 1
F32' F 1.7059(16) 0.945(2) 1.139(2) 0.138(12) Uani 0.43(3) 1 d P B 2
F23 F 1.268(2) 0.9148(11) 1.5581(10) 0.145(12) Uani 0.56(3) 1 d P E 1
F23' F 1.2281(11) 0.971(3) 1.5807(8) 0.148(13) Uani 0.44(3) 1 d P E 2
C407 C 1.5712(3) 1.2399(3) 1.3577(3) 0.0664(13) Uani 1 1 d . . .
F43 F 1.6498(2) 1.2066(2) 1.3529(3) 0.1220(15) Uani 1 1 d . . .
F44 F 1.5515(3) 1.2578(3) 1.4368(2) 0.1356(16) Uani 1 1 d . . .
C404 C 1.4878(3) 1.1782(2) 1.2941(2) 0.0433(9) Uani 1 1 d . . .
F45 F 1.60212(19) 1.32032(17) 1.3498(2) 0.0821(8) Uani 1 1 d . . .
F42 F 1.3079(6) 1.2722(3) 1.1614(4) 0.100(3) Uani 0.844(14) 1 d P A 1
F42' F 1.225(7) 1.198(8) 1.146(6) 0.54(8) Uani 0.156(14) 1 d P A 2
F13 F 1.4241(10) 0.8770(13) 0.9029(7) 0.107(7) Uani 0.53(3) 1 d P F 1
F13' F 1.4165(17) 0.802(3) 0.8834(14) 0.174(15) Uani 0.47(3) 1 d P F 2
F30 F 1.7775(9) 0.8691(19) 1.206(3) 0.158(14) Uani 0.57(3) 1 d P B 1
F30' F 1.7816(10) 0.936(4) 1.2428(9) 0.18(2) Uani 0.43(3) 1 d P B 2
F15 F 1.2826(10) 0.8585(17) 0.8500(13) 0.118(8) Uani 0.53(3) 1 d P F 1
F15' F 1.348(3) 0.9040(12) 0.8969(12) 0.164(14) Uani 0.47(3) 1 d P F 2
F33 F 1.501(3) 0.6245(10) 1.2635(12) 0.209(15) Uani 0.48(2) 1 d P C 1
F33' F 1.4213(13) 0.648(2) 1.300(3) 0.234(16) Uani 0.52(2) 1 d P C 2
F35 F 1.5899(11) 0.7279(17) 1.381(2) 0.180(13) Uani 0.48(2) 1 d P C 1
F35' F 1.5644(15) 0.6586(17) 1.314(2) 0.162(10) Uani 0.52(2) 1 d P C 2
F14 F 1.343(2) 0.7480(6) 0.8266(11) 0.148(11) Uani 0.53(3) 1 d P F 1
F14' F 1.2821(12) 0.775(2) 0.8198(9) 0.152(10) Uani 0.47(3) 1 d P F 2
C34 C 0.7854(4) 0.3032(3) 0.6221(3) 0.0660(13) Uani 1 1 d . . .
H34A H 0.7352 0.2545 0.5870 0.079 Uiso 1 1 calc R . .
C33 C 0.8452(4) 0.2899(3) 0.6795(4) 0.0717(15) Uani 1 1 d . . .
H33A H 0.8366 0.2322 0.6840 0.086 Uiso 1 1 calc R . .
C32 C 0.9184(4) 0.3601(4) 0.7312(4) 0.0749(14) Uani 1 1 d . . .
H32A H 0.9594 0.3507 0.7717 0.090 Uiso 1 1 calc R . .
O4 O 1.2476(4) 0.4682(4) 0.7063(4) 0.1482(19) Uiso 1 1 d . . .
C900 C 1.1991(6) 0.3814(5) 0.7098(5) 0.120(2) Uiso 1 1 d . . .
H90A H 1.1316 0.3644 0.6823 0.144 Uiso 1 1 calc R . .
H90B H 1.2320 0.3359 0.6776 0.144 Uiso 1 1 calc R . .
C901 C 1.3175(7) 0.5137(7) 0.7803(6) 0.163(3) Uiso 1 1 d . . .
H90B H 1.3159 0.5770 0.8069 0.195 Uiso 1 1 calc R . .
H90C H 1.3839 0.5104 0.7678 0.195 Uiso 1 1 calc R . .
C902 C 1.1987(8) 0.3816(8) 0.7917(7) 0.191(4) Uiso 1 1 d . . .
H90D H 1.2103 0.3257 0.7967 0.230 Uiso 1 1 calc R . .
H90E H 1.1374 0.3908 0.8140 0.230 Uiso 1 1 calc R . .
C903 C 1.2792(10) 0.4578(8) 0.8339(8) 0.220(5) Uiso 1 1 d . . .
H90E H 1.3325 0.4360 0.8528 0.264 Uiso 1 1 calc R . .
H90F H 1.2588 0.4967 0.8852 0.264 Uiso 1 1 calc R . .
C912 C 1.5673(7) 0.5653(5) 0.9216(6) 0.161(4) Uani 1 1 d D . .
H91A H 1.5197 0.5078 0.9127 0.193 Uiso 1 1 calc R . .
H91B H 1.5657 0.5812 0.8694 0.193 Uiso 1 1 calc R . .
C911 C 1.5539(13) 0.6505(7) 1.0106(10) 0.308(11) Uani 1 1 d D . .
H91C H 1.5635 0.6335 1.0614 0.369 Uiso 1 1 calc R . .
H91D H 1.6046 0.7054 1.0172 0.369 Uiso 1 1 calc R . .
C913 C 1.6597(12) 0.566(2) 0.9515(19) 0.74(4) Uani 1 1 d D . .
H91E H 1.6828 0.5195 0.9097 1.112 Uiso 1 1 calc R . .
H91F H 1.6580 0.5539 1.0051 1.112 Uiso 1 1 calc R . .
H91G H 1.7034 0.6245 0.9609 1.112 Uiso 1 1 calc R . .
C910 C 1.4568(10) 0.6702(7) 1.0060(11) 0.214(8) Uani 1 1 d D . .
H91H H 1.4593 0.7347 1.0315 0.257 Uiso 1 1 calc R . .
H91I H 1.4216 0.6453 0.9479 0.257 Uiso 1 1 calc R . .
C914 C 1.4193(11) 0.6169(13) 1.0622(9) 0.48(2) Uani 1 1 d D . .
H91J H 1.3523 0.6190 1.0700 0.715 Uiso 1 1 calc R . .
H91K H 1.4593 0.6425 1.1175 0.715 Uiso 1 1 calc R . .
H91L H 1.4221 0.5546 1.0353 0.715 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Ru1 C1 154.81(12) 2_766 . ?
O1 Ru1 C6 151.46(13) 2_766 . ?
C1 Ru1 C6 38.92(13) . . ?
O1 Ru1 P2 92.16(7) 2_766 . ?
C1 Ru1 P2 113.00(10) . . ?
C6 Ru1 P2 86.97(11) . . ?
O1 Ru1 C5 114.19(12) 2_766 . ?
C1 Ru1 C5 67.72(14) . . ?
C6 Ru1 C5 37.49(14) . . ?
P2 Ru1 C5 92.45(11) . . ?
O1 Ru1 C4 90.62(12) 2_766 . ?
C1 Ru1 C4 77.96(14) . . ?
C6 Ru1 C4 65.67(15) . . ?
P2 Ru1 C4 120.20(10) . . ?
C5 Ru1 C4 34.91(14) . . ?
O1 Ru1 P1 99.65(7) 2_766 . ?
C1 Ru1 P1 80.37(10) . . ?
C6 Ru1 P1 108.87(11) . . ?
P2 Ru1 P1 89.36(4) . . ?
C5 Ru1 P1 146.00(11) . . ?
C4 Ru1 P1 148.44(10) . . ?
O1 Ru1 C2 119.25(11) 2_766 . ?
C1 Ru1 C2 35.72(13) . . ?
C6 Ru1 C2 64.39(13) . . ?
P2 Ru1 C2 148.48(9) . . ?
C5 Ru1 C2 73.18(13) . . ?
C4 Ru1 C2 61.26(13) . . ?
P1 Ru1 C2 87.94(9) . . ?
O1 Ru1 C3 94.45(11) 2_766 . ?
C1 Ru1 C3 63.57(13) . . ?
C6 Ru1 C3 75.20(14) . . ?
P2 Ru1 C3 153.67(9) . . ?
C5 Ru1 C3 61.64(13) . . ?
C4 Ru1 C3 34.42(13) . . ?
P1 Ru1 C3 114.49(9) . . ?
C2 Ru1 C3 32.83(12) . . ?
C30 P1 C6' 105.01(18) . . ?
C30 P1 C20 102.69(18) . . ?
C6' P1 C20 105.27(17) . . ?
C30 P1 Ru1 127.62(13) . . ?
C6' P1 Ru1 102.98(13) . . ?
C20 P1 Ru1 111.33(15) . . ?
O1 P2 O3 107.30(15) . . ?
O1 P2 O2 107.14(15) . . ?
O3 P2 O2 103.39(16) . . ?
O1 P2 Ru1 119.67(10) . . ?
O3 P2 Ru1 110.41(11) . . ?
O2 P2 Ru1 107.71(11) . . ?
P2 O1 Ru1 136.47(15) . 2_766 ?
P2 O3 H3 109.5 . . ?
P2 O2 H2 109.5 . . ?
C101 C100 C105 115.0(4) . . ?
C101 C100 B1 121.9(3) . . ?
C105 C100 B1 122.7(3) . . ?
C203 C204 C205 120.0(4) . . ?
C203 C204 C207 120.9(4) . . ?
C205 C204 C207 119.1(4) . . ?
C9 C10 C3 120.1(4) . . ?
C9 C10 H10A 120.0 . . ?
C3 C10 H10A 120.0 . . ?
C401 C400 C405 115.0(3) . . ?
C401 C400 B1 122.9(3) . . ?
C405 C400 B1 121.8(3) . . ?
C10 C3 C2 119.1(4) . . ?
C10 C3 C4 122.7(4) . . ?
C2 C3 C4 118.2(4) . . ?
C10 C3 Ru1 135.4(3) . . ?
C2 C3 Ru1 73.1(2) . . ?
C4 C3 Ru1 64.5(2) . . ?
C201 C200 C205 115.1(3) . . ?
C201 C200 B1 122.3(3) . . ?
C205 C200 B1 122.0(3) . . ?
C5 C6 C1 118.9(4) . . ?
C5 C6 Ru1 75.7(2) . . ?
C1 C6 Ru1 70.23(19) . . ?
C5 C6 H6A 120.4 . . ?
C1 C6 H6A 120.4 . . ?
Ru1 C6 H6A 120.4 . . ?
C402 C401 C400 122.6(3) . . ?
C402 C401 H40A 118.7 . . ?
C400 C401 H40A 118.7 . . ?
C25 C20 C21 119.8(4) . . ?
C25 C20 P1 120.5(3) . . ?
C21 C20 P1 119.7(4) . . ?
C8 C7 C2 120.3(4) . . ?
C8 C7 H7A 119.9 . . ?
C2 C7 H7A 119.9 . . ?
C6' C1' C2' 120.5(4) . . ?
C6' C1' C1 117.7(3) . . ?
C2' C1' C1 121.8(3) . . ?
C303 C302 C301 121.1(4) . . ?
C303 C302 C306 119.6(4) . . ?
C301 C302 C306 119.3(5) . . ?
C4 C5 C6 119.8(4) . . ?
C4 C5 Ru1 73.9(2) . . ?
C6 C5 Ru1 66.8(2) . . ?
C4 C5 H5A 119.3 . . ?
C6 C5 H5A 119.3 . . ?
Ru1 C5 H5A 119.3 . . ?
C204 C205 C200 122.6(4) . . ?
C204 C205 H20A 118.7 . . ?
C200 C205 H20A 118.7 . . ?
C300 C301 C302 121.6(4) . . ?
C300 C301 H30A 119.2 . . ?
C302 C301 H30A 119.2 . . ?
C5 C4 C3 122.2(4) . . ?
C5 C4 Ru1 71.2(2) . . ?
C3 C4 Ru1 81.1(2) . . ?
C5 C4 H4A 118.9 . . ?
C3 C4 H4A 118.9 . . ?
Ru1 C4 H4A 118.9 . . ?
C102 C101 C100 123.2(4) . . ?
C102 C101 H10B 118.4 . . ?
C100 C101 H10B 118.4 . . ?
C203 C202 C201 120.6(4) . . ?
C203 C202 C206 119.2(4) . . ?
C201 C202 C206 120.3(4) . . ?
C103 C104 C105 121.6(4) . . ?
C103 C104 C106 119.8(4) . . ?
C105 C104 C106 118.6(4) . . ?
C304 C305 C300 122.4(4) . . ?
C304 C305 H30B 118.8 . . ?
C300 C305 H30B 118.8 . . ?
C7 C8 C9 120.8(4) . . ?
C7 C8 H8A 119.6 . . ?
C9 C8 H8A 119.6 . . ?
C303 C304 C305 120.8(4) . . ?
C303 C304 C307 119.0(5) . . ?
C305 C304 C307 120.1(5) . . ?
C104 C105 C100 122.3(4) . . ?
C104 C105 H10C 118.9 . . ?
C100 C105 H10C 118.9 . . ?
C7 C2 C3 118.7(3) . . ?
C7 C2 C1 123.1(4) . . ?
C3 C2 C1 118.1(3) . . ?
C7 C2 Ru1 137.3(2) . . ?
C3 C2 Ru1 74.1(2) . . ?
C1 C2 Ru1 58.49(18) . . ?
C305 C300 C301 115.6(4) . . ?
C305 C300 B1 122.9(3) . . ?
C301 C300 B1 121.2(3) . . ?
C6 C1 C2 119.2(3) . . ?
C6 C1 C1' 120.9(3) . . ?
C2 C1 C1' 119.7(3) . . ?
C6 C1 Ru1 70.85(19) . . ?
C2 C1 Ru1 85.8(2) . . ?
C1' C1 Ru1 118.1(2) . . ?
C3' C2' C1' 119.0(4) . . ?
C3' C2' C7' 118.4(4) . . ?
C1' C2' C7' 122.6(4) . . ?
C101 C102 C103 119.9(4) . . ?
C101 C102 C107 120.8(4) . . ?
C103 C102 C107 119.3(4) . . ?
C7' C8' C9' 120.8(4) . . ?
C7' C8' H8'A 119.6 . . ?
C9' C8' H8'A 119.6 . . ?
C202 C201 C200 122.7(4) . . ?
C202 C201 H20B 118.6 . . ?
C200 C201 H20B 118.6 . . ?
C8' C7' C2' 120.7(4) . . ?
C8' C7' H7'A 119.7 . . ?
C2' C7' H7'A 119.7 . . ?
C1' C6' C5' 120.0(4) . . ?
C1' C6' P1 115.7(3) . . ?
C5' C6' P1 124.3(3) . . ?
C200 B1 C300 113.4(3) . . ?
C200 B1 C100 112.9(3) . . ?
C300 B1 C100 104.7(3) . . ?
C200 B1 C400 101.9(3) . . ?
C300 B1 C400 111.9(3) . . ?
C100 B1 C400 112.4(3) . . ?
C10 C9 C8 120.9(4) . . ?
C10 C9 H9A 119.5 . . ?
C8 C9 H9A 119.5 . . ?
C302 C303 C304 118.4(4) . . ?
C302 C303 H30C 120.8 . . ?
C304 C303 H30C 120.8 . . ?
C4' C3' C2' 118.9(4) . . ?
C4' C3' C10' 122.2(4) . . ?
C2' C3' C10' 118.9(4) . . ?
C4' C5' C6' 119.7(4) . . ?
C4' C5' H5'A 120.2 . . ?
C6' C5' H5'A 120.2 . . ?
C202 C203 C204 119.0(4) . . ?
C202 C203 H20C 120.5 . . ?
C204 C203 H20C 120.5 . . ?
C104 C103 C102 118.0(4) . . ?
C104 C103 H10D 121.0 . . ?
C102 C103 H10D 121.0 . . ?
C20 C25 C24 120.1(4) . . ?
C20 C25 H25A 120.0 . . ?
C24 C25 H25A 120.0 . . ?
C5' C4' C3' 121.9(4) . . ?
C5' C4' H4'A 119.0 . . ?
C3' C4' H4'A 119.0 . . ?
C9' C10' C3' 120.7(5) . . ?
C9' C10' H10E 119.6 . . ?
C3' C10' H10E 119.6 . . ?
C10' C9' C8' 120.5(4) . . ?
C10' C9' H9'A 119.8 . . ?
C8' C9' H9'A 119.8 . . ?
F10 C106 F12 107.5(5) . . ?
F10 C106 F11 105.7(4) . . ?
F12 C106 F11 104.5(5) . . ?
F10 C106 C104 113.6(5) . . ?
F12 C106 C104 112.3(4) . . ?
F11 C106 C104 112.7(4) . . ?
C22 C21 C20 119.1(5) . . ?
C22 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
F30' C306 F32' 115(2) . . ?
F32' C306 F30 128.7(13) . . ?
F30' C306 F31 125.5(16) . . ?
F32' C306 F31 24.7(15) . . ?
F30 C306 F31 115.2(14) . . ?
F30' C306 F32 53(3) . . ?
F30 C306 F32 102.4(11) . . ?
F31 C306 F32 98.3(11) . . ?
F30' C306 F31' 101.0(17) . . ?
F32' C306 F31' 95.6(12) . . ?
F30 C306 F31' 54.1(9) . . ?
F32 C306 F31' 141.2(7) . . ?
F30' C306 C302 118.0(10) . . ?
F32' C306 C302 114.7(10) . . ?
F30 C306 C302 114.2(9) . . ?
F31 C306 C302 115.2(8) . . ?
F32 C306 C302 109.3(7) . . ?
F31' C306 C302 108.7(8) . . ?
F14' C107 F13' 107.3(12) . . ?
F14' C107 F15' 107.9(13) . . ?
F13' C107 F15' 108.2(15) . . ?
F14' C107 F15 59.2(9) . . ?
F13' C107 F15 136.7(12) . . ?
F13' C107 F14 60.9(11) . . ?
F15' C107 F14 134.2(9) . . ?
F15 C107 F14 103.2(10) . . ?
F14' C107 F13 129.5(9) . . ?
F15' C107 F13 57.5(13) . . ?
F15 C107 F13 102.4(10) . . ?
F14 C107 F13 103.6(9) . . ?
F14' C107 C102 114.5(9) . . ?
F13' C107 C102 107.9(9) . . ?
F15' C107 C102 110.7(7) . . ?
F15 C107 C102 115.1(6) . . ?
F14 C107 C102 114.9(7) . . ?
F13 C107 C102 115.8(6) . . ?
F35' C307 F34 123.2(9) . . ?
F35' C307 F34' 106.3(17) . . ?
F35' C307 F33' 102.9(13) . . ?
F34 C307 F33' 51.2(16) . . ?
F34' C307 F33' 103.9(17) . . ?
F34 C307 F35 106.3(15) . . ?
F34' C307 F35 57.0(18) . . ?
F33' C307 F35 140.2(13) . . ?
F35' C307 F33 50.5(11) . . ?
F34 C307 F33 107.4(16) . . ?
F34' C307 F33 140.1(13) . . ?
F35 C307 F33 109.1(14) . . ?
F35' C307 C304 119.9(8) . . ?
F34 C307 C304 116.8(7) . . ?
F34' C307 C304 111.1(11) . . ?
F33' C307 C304 111.3(12) . . ?
F35 C307 C304 108.4(9) . . ?
F33 C307 C304 108.8(9) . . ?
C403 C402 C401 120.6(3) . . ?
C403 C402 C406 119.7(4) . . ?
C401 C402 C406 119.7(3) . . ?
C404 C403 C402 118.2(3) . . ?
C404 C403 H40B 120.9 . . ?
C402 C403 H40B 120.9 . . ?
C404 C405 C400 123.2(3) . . ?
C404 C405 H40C 118.4 . . ?
C400 C405 H40C 118.4 . . ?
C31 C30 C35 119.2(4) . . ?
C31 C30 P1 120.8(3) . . ?
C35 C30 P1 120.0(3) . . ?
C34 C35 C30 119.8(4) . . ?
C34 C35 H35A 120.1 . . ?
C30 C35 H35A 120.1 . . ?
F41' C406 F42' 104(6) . . ?
F41' C406 F40 32(4) . . ?
F42' C406 F40 125(4) . . ?
F41' C406 F42 126.9(18) . . ?
F40 C406 F42 108.4(6) . . ?
F41' C406 F40' 100(3) . . ?
F42' C406 F40' 110(4) . . ?
F42 C406 F40' 45(3) . . ?
F42' C406 F41 37(7) . . ?
F40 C406 F41 104.9(6) . . ?
F42 C406 F41 104.8(5) . . ?
F40' C406 F41 138.0(15) . . ?
F41' C406 C402 115(2) . . ?
F42' C406 C402 118(2) . . ?
F40 C406 C402 113.2(5) . . ?
F42 C406 C402 113.8(4) . . ?
F40' C406 C402 108.8(15) . . ?
F41 C406 C402 110.9(4) . . ?
C24 C23 C22 120.7(5) . . ?
C24 C23 H23A 119.7 . . ?
C22 C23 H23A 119.6 . . ?
C30 C31 C32 119.6(5) . . ?
C30 C31 H31A 120.2 . . ?
C32 C31 H31A 120.2 . . ?
C23 C24 C25 119.3(5) . . ?
C23 C24 H24A 120.3 . . ?
C25 C24 H24A 120.3 . . ?
C23 C22 C21 121.0(5) . . ?
C23 C22 H22A 119.5 . . ?
C21 C22 H22A 119.5 . . ?
F24' C206 F23' 109.1(12) . . ?
F24' C206 F23 132.5(10) . . ?
F24' C206 F25' 105.8(14) . . ?
F23' C206 F25' 101.0(12) . . ?
F23 C206 F25' 49.7(10) . . ?
F24' C206 F25 45.3(14) . . ?
F23' C206 F25 129.2(9) . . ?
F23 C206 F25 106.3(10) . . ?
F23' C206 F24 54.6(12) . . ?
F23 C206 F24 106.4(10) . . ?
F25' C206 F24 137.6(8) . . ?
F25 C206 F24 103.4(8) . . ?
F24' C206 C202 113.1(8) . . ?
F23' C206 C202 116.0(8) . . ?
F23 C206 C202 113.9(7) . . ?
F25' C206 C202 110.8(8) . . ?
F25 C206 C202 114.8(6) . . ?
F24 C206 C202 111.2(6) . . ?
F20' C207 F21' 110.3(14) . . ?
F20' C207 F22 132.7(10) . . ?
F21' C207 F22 67.2(11) . . ?
F21' C207 F20 125.4(10) . . ?
F22 C207 F20 108.7(8) . . ?
F20' C207 F21 78.6(14) . . ?
F22 C207 F21 104.5(8) . . ?
F20 C207 F21 105.4(9) . . ?
F20' C207 F22' 102.1(12) . . ?
F21' C207 F22' 103.4(11) . . ?
F20 C207 F22' 71.7(12) . . ?
F21 C207 F22' 132.5(8) . . ?
F20' C207 C204 111.8(10) . . ?
F21' C207 C204 115.6(9) . . ?
F22 C207 C204 110.8(6) . . ?
F20 C207 C204 116.0(6) . . ?
F21 C207 C204 110.7(6) . . ?
F22' C207 C204 112.7(7) . . ?
F44 C407 F45 104.4(4) . . ?
F44 C407 F43 106.8(5) . . ?
F45 C407 F43 104.7(4) . . ?
F44 C407 C404 113.1(4) . . ?
F45 C407 C404 114.7(4) . . ?
F43 C407 C404 112.3(4) . . ?
C403 C404 C405 120.3(3) . . ?
C403 C404 C407 119.6(4) . . ?
C405 C404 C407 120.0(4) . . ?
C33 C34 C35 120.9(5) . . ?
C33 C34 H34A 119.5 . . ?
C35 C34 H34A 119.5 . . ?
C34 C33 C32 120.3(4) . . ?
C34 C33 H33A 119.9 . . ?
C32 C33 H33A 119.9 . . ?
C33 C32 C31 120.2(5) . . ?
C33 C32 H32A 119.9 . . ?
C31 C32 H32A 119.9 . . ?
C901 O4 C900 108.4(7) . . ?
C902 C900 O4 111.9(8) . . ?
C902 C900 H90A 109.2 . . ?
O4 C900 H90A 109.2 . . ?
C902 C900 H90B 109.2 . . ?
O4 C900 H90B 109.2 . . ?
H90A C900 H90B 107.9 . . ?
O4 C901 C903 98.6(9) . . ?
O4 C901 H90B 112.0 . . ?
C903 C901 H90B 112.1 . . ?
O4 C901 H90C 112.1 . . ?
C903 C901 H90C 112.0 . . ?
H90B C901 H90C 109.7 . . ?
C900 C902 C903 100.2(10) . . ?
C900 C902 H90D 111.7 . . ?
C903 C902 H90D 111.7 . . ?
C900 C902 H90E 111.7 . . ?
C903 C902 H90E 111.8 . . ?
H90D C902 H90E 109.5 . . ?
C902 C903 C901 114.9(11) . . ?
C902 C903 H90E 108.6 . . ?
C901 C903 H90E 108.6 . . ?
C902 C903 H90F 108.5 . . ?
C901 C903 H90F 108.5 . . ?
H90E C903 H90F 107.5 . . ?
C913 C912 C911 94.9(13) . . ?
C913 C912 H91A 113.9 . . ?
C911 C912 H91A 112.3 . . ?
C913 C912 H91B 113.1 . . ?
C911 C912 H91B 111.9 . . ?
H91A C912 H91B 110.1 . . ?
C910 C911 C912 112.9(13) . . ?
C910 C911 H91C 107.4 . . ?
C912 C911 H91C 108.9 . . ?
C910 C911 H91D 110.1 . . ?
C912 C911 H91D 109.3 . . ?
H91C C911 H91D 108.2 . . ?
C912 C913 H91E 107.6 . . ?
C912 C913 H91F 110.0 . . ?
H91E C913 H91F 109.5 . . ?
C912 C913 H91G 110.8 . . ?
H91E C913 H91G 109.5 . . ?
H91F C913 H91G 109.5 . . ?
C914 C910 C911 92.5(9) . . ?
C914 C910 H91H 115.7 . . ?
C911 C910 H91H 113.5 . . ?
C914 C910 H91I 112.2 . . ?
C911 C910 H91I 111.2 . . ?
H91H C910 H91I 110.6 . . ?
C910 C914 H91J 107.8 . . ?
C910 C914 H91K 108.6 . . ?
H91J C914 H91K 109.5 . . ?
C910 C914 H91L 111.9 . . ?
H91J C914 H91L 109.5 . . ?
H91K C914 H91L 109.5 . . ?
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
Ru1 O1 2.101(2) 2_766 ?
Ru1 C1 2.146(3) . ?
Ru1 C6 2.154(4) . ?
Ru1 P2 2.2358(11) . ?
Ru1 C5 2.270(4) . ?
Ru1 C4 2.305(4) . ?
Ru1 P1 2.3079(11) . ?
Ru1 C2 2.510(3) . ?
Ru1 C3 2.524(4) . ?
P1 C30 1.825(4) . ?
P1 C6' 1.825(4) . ?
P1 C20 1.831(4) . ?
P2 O1 1.516(2) . ?
P2 O3 1.580(3) . ?
P2 O2 1.604(3) . ?
O1 Ru1 2.101(2) 2_766 ?
O3 H3 0.8300 . ?
O2 H2 0.8301 . ?
C100 C101 1.395(5) . ?
C100 C105 1.394(5) . ?
C100 B1 1.639(6) . ?
C204 C203 1.374(6) . ?
C204 C205 1.390(5) . ?
C204 C207 1.498(6) . ?
C10 C9 1.360(6) . ?
C10 C3 1.403(6) . ?
C10 H10A 0.9400 . ?
F11 C106 1.335(7) . ?
C400 C401 1.387(5) . ?
C400 C405 1.392(5) . ?
C400 B1 1.641(5) . ?
C3 C2 1.423(5) . ?
C3 C4 1.444(5) . ?
C200 C201 1.391(5) . ?
C200 C205 1.395(5) . ?
C200 B1 1.632(6) . ?
C6 C5 1.426(6) . ?
C6 C1 1.432(5) . ?
C6 H6A 0.9900 . ?
C401 C402 1.384(5) . ?
C401 H40A 0.9400 . ?
C20 C25 1.375(6) . ?
C20 C21 1.385(6) . ?
C7 C8 1.358(6) . ?
C7 C2 1.407(5) . ?
C7 H7A 0.9400 . ?
C1' C6' 1.376(5) . ?
C1' C2' 1.419(5) . ?
C1' C1 1.484(5) . ?
C302 C303 1.362(6) . ?
C302 C301 1.399(6) . ?
C302 C306 1.491(7) . ?
C5 C4 1.372(6) . ?
C5 H5A 0.9900 . ?
C205 H20A 0.9400 . ?
C301 C300 1.397(5) . ?
C301 H30A 0.9400 . ?
C4 H4A 0.9900 . ?
C101 C102 1.383(5) . ?
C101 H10B 0.9400 . ?
C202 C203 1.369(6) . ?
C202 C201 1.380(5) . ?
C202 C206 1.498(6) . ?
F10 C106 1.322(6) . ?
C104 C103 1.361(6) . ?
C104 C105 1.388(5) . ?
C104 C106 1.498(7) . ?
C305 C304 1.389(6) . ?
C305 C300 1.387(5) . ?
C305 H30B 0.9400 . ?
C8 C9 1.385(6) . ?
C8 H8A 0.9400 . ?
C304 C303 1.370(6) . ?
C304 C307 1.500(7) . ?
C105 H10C 0.9400 . ?
C2 C1 1.469(5) . ?
C300 B1 1.636(5) . ?
C2' C3' 1.414(6) . ?
C2' C7' 1.421(5) . ?
C102 C103 1.399(6) . ?
C102 C107 1.474(7) . ?
C8' C7' 1.364(6) . ?
C8' C9' 1.388(7) . ?
C8' H8'A 0.9400 . ?
C201 H20B 0.9400 . ?
C7' H7'A 0.9400 . ?
C6' C5' 1.425(6) . ?
C9 H9A 0.9400 . ?
C303 H30C 0.9400 . ?
C3' C4' 1.410(6) . ?
C3' C10' 1.420(6) . ?
F12 C106 1.331(6) . ?
C5' C4' 1.351(6) . ?
C5' H5'A 0.9400 . ?
C203 H20C 0.9400 . ?
C103 H10D 0.9400 . ?
C25 C24 1.402(6) . ?
C25 H25A 0.9400 . ?
C4' H4'A 0.9400 . ?
C10' C9' 1.361(7) . ?
C10' H10E 0.9400 . ?
C9' H9'A 0.9400 . ?
C21 C22 1.380(7) . ?
C21 H21 0.9400 . ?
C306 F30' 1.196(12) . ?
C306 F32' 1.241(19) . ?
C306 F30 1.262(11) . ?
C306 F31 1.273(15) . ?
C306 F32 1.388(12) . ?
C306 F31' 1.438(13) . ?
C107 F14' 1.252(14) . ?
C107 F13' 1.259(13) . ?
C107 F15' 1.267(14) . ?
C107 F15 1.320(12) . ?
C107 F14 1.326(11) . ?
C107 F13 1.336(12) . ?
C307 F35' 1.209(11) . ?
C307 F34 1.249(13) . ?
C307 F34' 1.28(2) . ?
C307 F33' 1.34(3) . ?
C307 F35 1.356(16) . ?
C307 F33 1.371(17) . ?
C402 C403 1.378(5) . ?
C402 C406 1.504(6) . ?
F41 C406 1.338(6) . ?
F41' C406 1.14(3) . ?
F40 C406 1.295(7) . ?
F40' C406 1.33(3) . ?
C403 C404 1.374(5) . ?
C403 H40B 0.9400 . ?
C405 C404 1.376(5) . ?
C405 H40C 0.9400 . ?
C30 C31 1.379(6) . ?
C30 C35 1.390(5) . ?
C35 C34 1.381(6) . ?
C35 H35A 0.9400 . ?
C406 F42' 1.22(5) . ?
C406 F42 1.303(6) . ?
C23 C24 1.357(8) . ?
C23 C22 1.363(8) . ?
C23 H23A 0.9400 . ?
C31 C32 1.395(6) . ?
C31 H31A 0.9400 . ?
C24 H24A 0.9400 . ?
C22 H22A 0.9400 . ?
F20 C207 1.291(13) . ?
F20' C207 1.24(2) . ?
C206 F24' 1.227(14) . ?
C206 F23' 1.257(13) . ?
C206 F23 1.265(11) . ?
C206 F25' 1.286(15) . ?
C206 F25 1.302(11) . ?
C206 F24 1.344(9) . ?
C207 F21' 1.257(14) . ?
C207 F22 1.277(10) . ?
C207 F21 1.352(11) . ?
C207 F22' 1.359(15) . ?
C407 F44 1.307(6) . ?
C407 F45 1.326(5) . ?
C407 F43 1.333(5) . ?
C407 C404 1.481(6) . ?
C34 C33 1.345(7) . ?
C34 H34A 0.9400 . ?
C33 C32 1.368(7) . ?
C33 H33A 0.9400 . ?
C32 H32A 0.9400 . ?
O4 C901 1.421(9) . ?
O4 C900 1.438(8) . ?
C900 C902 1.360(11) . ?
C900 H90A 0.9800 . ?
C900 H90B 0.9800 . ?
C901 C903 1.497(13) . ?
C901 H90B 0.9800 . ?
C901 H90C 0.9800 . ?
C902 C903 1.433(13) . ?
C902 H90D 0.9800 . ?
C902 H90E 0.9800 . ?
C903 H90E 0.9800 . ?
C903 H90F 0.9800 . ?
C912 C913 1.376(14) . ?
C912 C911 1.715(12) . ?
C912 H91A 0.9800 . ?
C912 H91B 0.9800 . ?
C911 C910 1.482(15) . ?
C911 H91C 0.9800 . ?
C911 H91D 0.9800 . ?
C913 H91E 0.9700 . ?
C913 H91F 0.9700 . ?
C913 H91G 0.9700 . ?
C910 C914 1.499(16) . ?
C910 H91H 0.9800 . ?
C910 H91I 0.9800 . ?
C914 H91J 0.9700 . ?
C914 H91K 0.9700 . ?
C914 H91L 0.9700 . ?
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
O1 Ru1 P1 C30 68.00(19) 2_766 . . . ?
C1 Ru1 P1 C30 -137.6(2) . . . . ?
C6 Ru1 P1 C30 -110.7(2) . . . . ?
P2 Ru1 P1 C30 -24.08(18) . . . . ?
C5 Ru1 P1 C30 -117.5(3) . . . . ?
C4 Ru1 P1 C30 175.3(3) . . . . ?
C2 Ru1 P1 C30 -172.7(2) . . . . ?
C3 Ru1 P1 C30 167.4(2) . . . . ?
O1 Ru1 P1 C6' -171.13(14) 2_766 . . . ?
C1 Ru1 P1 C6' -16.68(16) . . . . ?
C6 Ru1 P1 C6' 10.20(17) . . . . ?
P2 Ru1 P1 C6' 96.79(13) . . . . ?
C5 Ru1 P1 C6' 3.3(2) . . . . ?
C4 Ru1 P1 C6' -63.8(2) . . . . ?
C2 Ru1 P1 C6' -51.80(15) . . . . ?
C3 Ru1 P1 C6' -71.70(16) . . . . ?
O1 Ru1 P1 C20 -58.78(14) 2_766 . . . ?
C1 Ru1 P1 C20 95.66(16) . . . . ?
C6 Ru1 P1 C20 122.54(16) . . . . ?
P2 Ru1 P1 C20 -150.87(13) . . . . ?
C5 Ru1 P1 C20 115.7(2) . . . . ?
C4 Ru1 P1 C20 48.5(2) . . . . ?
C2 Ru1 P1 C20 60.54(15) . . . . ?
C3 Ru1 P1 C20 40.65(16) . . . . ?
O1 Ru1 P2 O1 -31.08(18) 2_766 . . . ?
C1 Ru1 P2 O1 147.81(16) . . . . ?
C6 Ru1 P2 O1 177.49(17) . . . . ?
C5 Ru1 P2 O1 -145.41(16) . . . . ?
C4 Ru1 P2 O1 -123.05(17) . . . . ?
P1 Ru1 P2 O1 68.55(13) . . . . ?
C2 Ru1 P2 O1 153.6(2) . . . . ?
C3 Ru1 P2 O1 -135.6(2) . . . . ?
O1 Ru1 P2 O3 -156.31(14) 2_766 . . . ?
C1 Ru1 P2 O3 22.57(16) . . . . ?
C6 Ru1 P2 O3 52.25(17) . . . . ?
C5 Ru1 P2 O3 89.35(16) . . . . ?
C4 Ru1 P2 O3 111.71(17) . . . . ?
P1 Ru1 P2 O3 -56.69(13) . . . . ?
C2 Ru1 P2 O3 28.3(2) . . . . ?
C3 Ru1 P2 O3 99.1(2) . . . . ?
O1 Ru1 P2 O2 91.47(14) 2_766 . . . ?
C1 Ru1 P2 O2 -89.65(16) . . . . ?
C6 Ru1 P2 O2 -59.97(16) . . . . ?
C5 Ru1 P2 O2 -22.86(16) . . . . ?
C4 Ru1 P2 O2 -0.51(17) . . . . ?
P1 Ru1 P2 O2 -168.90(12) . . . . ?
C2 Ru1 P2 O2 -83.9(2) . . . . ?
C3 Ru1 P2 O2 -13.1(3) . . . . ?
O3 P2 O1 Ru1 175.20(19) . . . 2_766 ?
O2 P2 O1 Ru1 -74.3(2) . . . 2_766 ?
Ru1 P2 O1 Ru1 48.5(2) . . . 2_766 ?
C9 C10 C3 C2 2.8(6) . . . . ?
C9 C10 C3 C4 -176.6(4) . . . . ?
C9 C10 C3 Ru1 97.9(5) . . . . ?
O1 Ru1 C3 C10 27.0(4) 2_766 . . . ?
C1 Ru1 C3 C10 -140.1(5) . . . . ?
C6 Ru1 C3 C10 180.0(5) . . . . ?
P2 Ru1 C3 C10 131.1(4) . . . . ?
C5 Ru1 C3 C10 142.2(5) . . . . ?
C4 Ru1 C3 C10 111.6(5) . . . . ?
P1 Ru1 C3 C10 -75.7(4) . . . . ?
C2 Ru1 C3 C10 -114.5(5) . . . . ?
O1 Ru1 C3 C2 141.6(2) 2_766 . . . ?
C1 Ru1 C3 C2 -25.6(2) . . . . ?
C6 Ru1 C3 C2 -65.5(2) . . . . ?
P2 Ru1 C3 C2 -114.4(2) . . . . ?
C5 Ru1 C3 C2 -103.3(2) . . . . ?
C4 Ru1 C3 C2 -133.8(3) . . . . ?
P1 Ru1 C3 C2 38.8(2) . . . . ?
O1 Ru1 C3 C4 -84.6(2) 2_766 . . . ?
C1 Ru1 C3 C4 108.3(3) . . . . ?
C6 Ru1 C3 C4 68.4(2) . . . . ?
P2 Ru1 C3 C4 19.5(4) . . . . ?
C5 Ru1 C3 C4 30.6(2) . . . . ?
P1 Ru1 C3 C4 172.7(2) . . . . ?
C2 Ru1 C3 C4 133.8(3) . . . . ?
O1 Ru1 C6 C5 9.0(4) 2_766 . . . ?
C1 Ru1 C6 C5 -128.5(3) . . . . ?
P2 Ru1 C6 C5 98.0(2) . . . . ?
C4 Ru1 C6 C5 -27.2(2) . . . . ?
P1 Ru1 C6 C5 -173.71(19) . . . . ?
C2 Ru1 C6 C5 -95.6(2) . . . . ?
C3 Ru1 C6 C5 -62.4(2) . . . . ?
O1 Ru1 C6 C1 137.5(2) 2_766 . . . ?
P2 Ru1 C6 C1 -133.5(2) . . . . ?
C5 Ru1 C6 C1 128.5(3) . . . . ?
C4 Ru1 C6 C1 101.3(2) . . . . ?
P1 Ru1 C6 C1 -45.2(2) . . . . ?
C2 Ru1 C6 C1 32.9(2) . . . . ?
C3 Ru1 C6 C1 66.1(2) . . . . ?
C405 C400 C401 C402 0.4(5) . . . . ?
B1 C400 C401 C402 173.6(3) . . . . ?
C30 P1 C20 C25 -129.1(3) . . . . ?
C6' P1 C20 C25 121.3(3) . . . . ?
Ru1 P1 C20 C25 10.4(3) . . . . ?
C30 P1 C20 C21 53.0(3) . . . . ?
C6' P1 C20 C21 -56.7(3) . . . . ?
Ru1 P1 C20 C21 -167.6(3) . . . . ?
C1 C6 C5 C4 -3.6(5) . . . . ?
Ru1 C6 C5 C4 53.7(3) . . . . ?
C1 C6 C5 Ru1 -57.3(3) . . . . ?
O1 Ru1 C5 C4 51.5(3) 2_766 . . . ?
C1 Ru1 C5 C4 -101.2(3) . . . . ?
C6 Ru1 C5 C4 -133.3(3) . . . . ?
P2 Ru1 C5 C4 144.9(2) . . . . ?
P1 Ru1 C5 C4 -122.6(2) . . . . ?
C2 Ru1 C5 C4 -63.6(2) . . . . ?
C3 Ru1 C5 C4 -30.1(2) . . . . ?
O1 Ru1 C5 C6 -175.3(2) 2_766 . . . ?
C1 Ru1 C5 C6 32.1(2) . . . . ?
P2 Ru1 C5 C6 -81.8(2) . . . . ?
C4 Ru1 C5 C6 133.3(3) . . . . ?
P1 Ru1 C5 C6 10.7(3) . . . . ?
C2 Ru1 C5 C6 69.6(2) . . . . ?
C3 Ru1 C5 C6 103.1(2) . . . . ?
C203 C204 C205 C200 0.4(6) . . . . ?
C207 C204 C205 C200 -178.2(4) . . . . ?
C201 C200 C205 C204 -1.5(5) . . . . ?
B1 C200 C205 C204 -173.3(3) . . . . ?
C303 C302 C301 C300 0.1(6) . . . . ?
C306 C302 C301 C300 -178.6(4) . . . . ?
C6 C5 C4 C3 15.5(5) . . . . ?
Ru1 C5 C4 C3 66.0(3) . . . . ?
C6 C5 C4 Ru1 -50.5(3) . . . . ?
C10 C3 C4 C5 169.9(4) . . . . ?
C2 C3 C4 C5 -9.5(5) . . . . ?
Ru1 C3 C4 C5 -61.0(3) . . . . ?
C10 C3 C4 Ru1 -129.1(3) . . . . ?
C2 C3 C4 Ru1 51.5(3) . . . . ?
O1 Ru1 C4 C5 -134.5(2) 2_766 . . . ?
C1 Ru1 C4 C5 68.2(2) . . . . ?
C6 Ru1 C4 C5 29.1(2) . . . . ?
P2 Ru1 C4 C5 -41.6(3) . . . . ?
P1 Ru1 C4 C5 115.8(2) . . . . ?
C2 Ru1 C4 C5 102.1(3) . . . . ?
C3 Ru1 C4 C5 128.6(4) . . . . ?
O1 Ru1 C4 C3 97.0(2) 2_766 . . . ?
C1 Ru1 C4 C3 -60.4(2) . . . . ?
C6 Ru1 C4 C3 -99.4(2) . . . . ?
P2 Ru1 C4 C3 -170.16(18) . . . . ?
C5 Ru1 C4 C3 -128.6(4) . . . . ?
P1 Ru1 C4 C3 -12.8(3) . . . . ?
C2 Ru1 C4 C3 -26.5(2) . . . . ?
C105 C100 C101 C102 1.7(5) . . . . ?
B1 C100 C101 C102 174.6(4) . . . . ?
C2 C7 C8 C9 2.5(6) . . . . ?
C300 C305 C304 C303 -0.7(7) . . . . ?
C300 C305 C304 C307 178.0(6) . . . . ?
C103 C104 C105 C100 1.2(6) . . . . ?
C106 C104 C105 C100 180.0(4) . . . . ?
C101 C100 C105 C104 -2.5(5) . . . . ?
B1 C100 C105 C104 -175.3(4) . . . . ?
C8 C7 C2 C3 0.0(5) . . . . ?
C8 C7 C2 C1 -175.2(3) . . . . ?
C8 C7 C2 Ru1 -97.6(5) . . . . ?
C10 C3 C2 C7 -2.6(5) . . . . ?
C4 C3 C2 C7 176.8(3) . . . . ?
Ru1 C3 C2 C7 -135.6(3) . . . . ?
C10 C3 C2 C1 172.8(3) . . . . ?
C4 C3 C2 C1 -7.8(5) . . . . ?
Ru1 C3 C2 C1 39.8(3) . . . . ?
C10 C3 C2 Ru1 133.0(3) . . . . ?
C4 C3 C2 Ru1 -47.6(3) . . . . ?
O1 Ru1 C2 C7 70.0(4) 2_766 . . . ?
C1 Ru1 C2 C7 -106.2(5) . . . . ?
C6 Ru1 C2 C7 -142.0(5) . . . . ?
P2 Ru1 C2 C7 -115.3(4) . . . . ?
C5 Ru1 C2 C7 178.7(4) . . . . ?
C4 Ru1 C2 C7 143.0(5) . . . . ?
P1 Ru1 C2 C7 -29.9(4) . . . . ?
C3 Ru1 C2 C7 115.3(5) . . . . ?
O1 Ru1 C2 C3 -45.3(2) 2_766 . . . ?
C1 Ru1 C2 C3 138.5(3) . . . . ?
C6 Ru1 C2 C3 102.7(2) . . . . ?
P2 Ru1 C2 C3 129.4(2) . . . . ?
C5 Ru1 C2 C3 63.5(2) . . . . ?
C4 Ru1 C2 C3 27.7(2) . . . . ?
P1 Ru1 C2 C3 -145.2(2) . . . . ?
O1 Ru1 C2 C1 176.21(19) 2_766 . . . ?
C6 Ru1 C2 C1 -35.8(2) . . . . ?
P2 Ru1 C2 C1 -9.1(3) . . . . ?
C5 Ru1 C2 C1 -75.0(2) . . . . ?
C4 Ru1 C2 C1 -110.8(2) . . . . ?
P1 Ru1 C2 C1 76.3(2) . . . . ?
C3 Ru1 C2 C1 -138.5(3) . . . . ?
C304 C305 C300 C301 1.1(6) . . . . ?
C304 C305 C300 B1 175.7(4) . . . . ?
C302 C301 C300 C305 -0.8(6) . . . . ?
C302 C301 C300 B1 -175.5(4) . . . . ?
C5 C6 C1 C2 -13.5(5) . . . . ?
Ru1 C6 C1 C2 -73.6(3) . . . . ?
C5 C6 C1 C1' 172.0(3) . . . . ?
Ru1 C6 C1 C1' 112.0(3) . . . . ?
C5 C6 C1 Ru1 60.0(3) . . . . ?
C7 C2 C1 C6 -165.7(3) . . . . ?
C3 C2 C1 C6 19.1(5) . . . . ?
Ru1 C2 C1 C6 65.3(3) . . . . ?
C7 C2 C1 C1' 8.8(5) . . . . ?
C3 C2 C1 C1' -166.4(3) . . . . ?
Ru1 C2 C1 C1' -120.1(3) . . . . ?
C7 C2 C1 Ru1 129.0(3) . . . . ?
C3 C2 C1 Ru1 -46.2(3) . . . . ?
C6' C1' C1 C6 -103.0(4) . . . . ?
C2' C1' C1 C6 78.3(4) . . . . ?
C6' C1' C1 C2 82.6(4) . . . . ?
C2' C1' C1 C2 -96.2(4) . . . . ?
C6' C1' C1 Ru1 -19.5(4) . . . . ?
C2' C1' C1 Ru1 161.7(3) . . . . ?
O1 Ru1 C1 C6 -130.7(3) 2_766 . . . ?
P2 Ru1 C1 C6 51.9(2) . . . . ?
C5 Ru1 C1 C6 -31.0(2) . . . . ?
C4 Ru1 C1 C6 -66.0(2) . . . . ?
P1 Ru1 C1 C6 137.1(2) . . . . ?
C2 Ru1 C1 C6 -122.9(3) . . . . ?
C3 Ru1 C1 C6 -99.3(2) . . . . ?
O1 Ru1 C1 C2 -7.8(4) 2_766 . . . ?
C6 Ru1 C1 C2 122.9(3) . . . . ?
P2 Ru1 C1 C2 174.85(17) . . . . ?
C5 Ru1 C1 C2 92.0(2) . . . . ?
C4 Ru1 C1 C2 56.9(2) . . . . ?
P1 Ru1 C1 C2 -100.0(2) . . . . ?
C3 Ru1 C1 C2 23.64(19) . . . . ?
O1 Ru1 C1 C1' 113.8(3) 2_766 . . . ?
C6 Ru1 C1 C1' -115.5(4) . . . . ?
P2 Ru1 C1 C1' -63.6(3) . . . . ?
C5 Ru1 C1 C1' -146.5(3) . . . . ?
C4 Ru1 C1 C1' 178.5(3) . . . . ?
P1 Ru1 C1 C1' 21.6(2) . . . . ?
C2 Ru1 C1 C1' 121.6(4) . . . . ?
C3 Ru1 C1 C1' 145.2(3) . . . . ?
C6' C1' C2' C3' -0.4(5) . . . . ?
C1 C1' C2' C3' 178.4(3) . . . . ?
C6' C1' C2' C7' 178.4(4) . . . . ?
C1 C1' C2' C7' -2.9(5) . . . . ?
C100 C101 C102 C103 0.5(6) . . . . ?
C100 C101 C102 C107 -178.7(4) . . . . ?
C203 C202 C201 C200 0.0(6) . . . . ?
C206 C202 C201 C200 -179.3(4) . . . . ?
C205 C200 C201 C202 1.3(5) . . . . ?
B1 C200 C201 C202 173.0(3) . . . . ?
C9' C8' C7' C2' -0.1(7) . . . . ?
C3' C2' C7' C8' 0.4(6) . . . . ?
C1' C2' C7' C8' -178.4(4) . . . . ?
C2' C1' C6' C5' 1.6(6) . . . . ?
C1 C1' C6' C5' -177.2(3) . . . . ?
C2' C1' C6' P1 -179.1(3) . . . . ?
C1 C1' C6' P1 2.2(4) . . . . ?
C30 P1 C6' C1' 148.6(3) . . . . ?
C20 P1 C6' C1' -103.4(3) . . . . ?
Ru1 P1 C6' C1' 13.3(3) . . . . ?
C30 P1 C6' C5' -32.1(4) . . . . ?
C20 P1 C6' C5' 75.9(4) . . . . ?
Ru1 P1 C6' C5' -167.3(3) . . . . ?
C201 C200 B1 C300 34.1(5) . . . . ?
C205 C200 B1 C300 -154.8(3) . . . . ?
C201 C200 B1 C100 152.9(3) . . . . ?
C205 C200 B1 C100 -35.9(5) . . . . ?
C201 C200 B1 C400 -86.4(4) . . . . ?
C205 C200 B1 C400 84.8(4) . . . . ?
C305 C300 B1 C200 35.6(5) . . . . ?
C301 C300 B1 C200 -150.1(3) . . . . ?
C305 C300 B1 C100 -87.8(4) . . . . ?
C301 C300 B1 C100 86.5(4) . . . . ?
C305 C300 B1 C400 150.2(4) . . . . ?
C301 C300 B1 C400 -35.5(5) . . . . ?
C101 C100 B1 C200 151.9(3) . . . . ?
C105 C100 B1 C200 -35.7(5) . . . . ?
C101 C100 B1 C300 -84.3(4) . . . . ?
C105 C100 B1 C300 88.0(4) . . . . ?
C101 C100 B1 C400 37.4(5) . . . . ?
C105 C100 B1 C400 -150.3(3) . . . . ?
C401 C400 B1 C200 -88.6(4) . . . . ?
C405 C400 B1 C200 84.1(4) . . . . ?
C401 C400 B1 C300 149.9(3) . . . . ?
C405 C400 B1 C300 -37.3(5) . . . . ?
C401 C400 B1 C100 32.5(5) . . . . ?
C405 C400 B1 C100 -154.8(3) . . . . ?
C3 C10 C9 C8 -0.3(6) . . . . ?
C7 C8 C9 C10 -2.4(6) . . . . ?
C301 C302 C303 C304 0.5(7) . . . . ?
C306 C302 C303 C304 179.1(5) . . . . ?
C305 C304 C303 C302 -0.2(7) . . . . ?
C307 C304 C303 C302 -178.8(6) . . . . ?
C1' C2' C3' C4' -1.2(6) . . . . ?
C7' C2' C3' C4' 180.0(4) . . . . ?
C1' C2' C3' C10' 178.7(4) . . . . ?
C7' C2' C3' C10' -0.1(6) . . . . ?
C1' C6' C5' C4' -1.2(6) . . . . ?
P1 C6' C5' C4' 179.5(3) . . . . ?
C201 C202 C203 C204 -1.2(6) . . . . ?
C206 C202 C203 C204 178.1(4) . . . . ?
C205 C204 C203 C202 1.0(6) . . . . ?
C207 C204 C203 C202 179.6(4) . . . . ?
C105 C104 C103 C102 1.1(6) . . . . ?
C106 C104 C103 C102 -177.7(4) . . . . ?
C101 C102 C103 C104 -1.9(6) . . . . ?
C107 C102 C103 C104 177.3(4) . . . . ?
C21 C20 C25 C24 0.7(6) . . . . ?
P1 C20 C25 C24 -177.3(3) . . . . ?
C6' C5' C4' C3' -0.4(7) . . . . ?
C2' C3' C4' C5' 1.6(6) . . . . ?
C10' C3' C4' C5' -178.3(4) . . . . ?
C4' C3' C10' C9' 179.5(4) . . . . ?
C2' C3' C10' C9' -0.4(6) . . . . ?
C3' C10' C9' C8' 0.7(7) . . . . ?
C7' C8' C9' C10' -0.5(7) . . . . ?
C103 C104 C106 F10 -5.5(7) . . . . ?
C105 C104 C106 F10 175.7(4) . . . . ?
C103 C104 C106 F12 116.7(6) . . . . ?
C105 C104 C106 F12 -62.1(6) . . . . ?
C103 C104 C106 F11 -125.7(5) . . . . ?
C105 C104 C106 F11 55.5(6) . . . . ?
C25 C20 C21 C22 -0.2(6) . . . . ?
P1 C20 C21 C22 177.8(3) . . . . ?
C303 C302 C306 F30' -57(4) . . . . ?
C301 C302 C306 F30' 121(4) . . . . ?
C303 C302 C306 F32' 162(2) . . . . ?
C301 C302 C306 F32' -19(2) . . . . ?
C303 C302 C306 F30 -2(2) . . . . ?
C301 C302 C306 F30 177(2) . . . . ?
C303 C302 C306 F31 134.9(16) . . . . ?
C301 C302 C306 F31 -46.4(17) . . . . ?
C303 C302 C306 F32 -115.6(11) . . . . ?
C301 C302 C306 F32 63.1(11) . . . . ?
C303 C302 C306 F31' 56.7(16) . . . . ?
C301 C302 C306 F31' -124.7(16) . . . . ?
C101 C102 C107 F14' -164.3(18) . . . . ?
C103 C102 C107 F14' 16.5(19) . . . . ?
C101 C102 C107 F13' 76(2) . . . . ?
C103 C102 C107 F13' -103(2) . . . . ?
C101 C102 C107 F15' -42(2) . . . . ?
C103 C102 C107 F15' 139(2) . . . . ?
C101 C102 C107 F15 -98.4(15) . . . . ?
C103 C102 C107 F15 82.4(16) . . . . ?
C101 C102 C107 F14 141.8(17) . . . . ?
C103 C102 C107 F14 -37.4(18) . . . . ?
C101 C102 C107 F13 21.0(15) . . . . ?
C103 C102 C107 F13 -158.2(13) . . . . ?
C303 C304 C307 F35' -21(2) . . . . ?
C305 C304 C307 F35' 160(2) . . . . ?
C303 C304 C307 F34 162.8(12) . . . . ?
C305 C304 C307 F34 -15.9(16) . . . . ?
C303 C304 C307 F34' 104(3) . . . . ?
C305 C304 C307 F34' -75(3) . . . . ?
C303 C304 C307 F33' -141(2) . . . . ?
C305 C304 C307 F33' 40(2) . . . . ?
C303 C304 C307 F35 42.9(19) . . . . ?
C305 C304 C307 F35 -135.8(17) . . . . ?
C303 C304 C307 F33 -76(2) . . . . ?
C305 C304 C307 F33 106(2) . . . . ?
C400 C401 C402 C403 0.3(6) . . . . ?
C400 C401 C402 C406 177.1(4) . . . . ?
C401 C402 C403 C404 -0.8(5) . . . . ?
C406 C402 C403 C404 -177.6(4) . . . . ?
C401 C400 C405 C404 -0.6(5) . . . . ?
B1 C400 C405 C404 -173.8(3) . . . . ?
C6' P1 C30 C31 -38.4(4) . . . . ?
C20 P1 C30 C31 -148.3(4) . . . . ?
Ru1 P1 C30 C31 81.6(4) . . . . ?
C6' P1 C30 C35 140.1(3) . . . . ?
C20 P1 C30 C35 30.3(4) . . . . ?
Ru1 P1 C30 C35 -99.8(3) . . . . ?
C31 C30 C35 C34 -1.0(6) . . . . ?
P1 C30 C35 C34 -179.6(3) . . . . ?
C403 C402 C406 F41' 133(5) . . . . ?
C401 C402 C406 F41' -43(5) . . . . ?
C403 C402 C406 F42' -103(8) . . . . ?
C401 C402 C406 F42' 80(8) . . . . ?
C403 C402 C406 F40 98.9(7) . . . . ?
C401 C402 C406 F40 -78.0(7) . . . . ?
C403 C402 C406 F42 -25.5(7) . . . . ?
C401 C402 C406 F42 157.7(6) . . . . ?
C403 C402 C406 F40' 22(4) . . . . ?
C401 C402 C406 F40' -154(4) . . . . ?
C403 C402 C406 F41 -143.5(5) . . . . ?
C401 C402 C406 F41 39.7(6) . . . . ?
C35 C30 C31 C32 0.5(7) . . . . ?
P1 C30 C31 C32 179.1(3) . . . . ?
C22 C23 C24 C25 -0.4(7) . . . . ?
C20 C25 C24 C23 -0.4(6) . . . . ?
C24 C23 C22 C21 0.9(8) . . . . ?
C20 C21 C22 C23 -0.6(7) . . . . ?
C203 C202 C206 F24' -111(3) . . . . ?
C201 C202 C206 F24' 69(3) . . . . ?
C203 C202 C206 F23' 16(2) . . . . ?
C201 C202 C206 F23' -164(2) . . . . ?
C203 C202 C206 F23 76.8(19) . . . . ?
C201 C202 C206 F23 -103.9(18) . . . . ?
C203 C202 C206 F25' 131(2) . . . . ?
C201 C202 C206 F25' -50(2) . . . . ?
C203 C202 C206 F25 -160.4(13) . . . . ?
C201 C202 C206 F25 19.0(14) . . . . ?
C203 C202 C206 F24 -43.4(14) . . . . ?
C201 C202 C206 F24 135.9(13) . . . . ?
C203 C204 C207 F20' 120(2) . . . . ?
C205 C204 C207 F20' -61(2) . . . . ?
C203 C204 C207 F21' -7(2) . . . . ?
C205 C204 C207 F21' 171(2) . . . . ?
C203 C204 C207 F22 -81.0(16) . . . . ?
C205 C204 C207 F22 97.6(16) . . . . ?
C203 C204 C207 F20 154.4(13) . . . . ?
C205 C204 C207 F20 -27.0(14) . . . . ?
C203 C204 C207 F21 34.4(15) . . . . ?
C205 C204 C207 F21 -147.0(14) . . . . ?
C203 C204 C207 F22' -126(2) . . . . ?
C205 C204 C207 F22' 53(2) . . . . ?
C402 C403 C404 C405 0.6(6) . . . . ?
C402 C403 C404 C407 178.9(4) . . . . ?
C400 C405 C404 C403 0.1(6) . . . . ?
C400 C405 C404 C407 -178.2(4) . . . . ?
F44 C407 C404 C403 106.2(5) . . . . ?
F45 C407 C404 C403 -13.4(6) . . . . ?
F43 C407 C404 C403 -132.8(4) . . . . ?
F44 C407 C404 C405 -75.5(5) . . . . ?
F45 C407 C404 C405 164.9(4) . . . . ?
F43 C407 C404 C405 45.5(6) . . . . ?
C30 C35 C34 C33 0.6(7) . . . . ?
C35 C34 C33 C32 0.3(7) . . . . ?
C34 C33 C32 C31 -0.8(8) . . . . ?
C30 C31 C32 C33 0.4(7) . . . . ?
C901 O4 C900 C902 27.0(10) . . . . ?
C900 O4 C901 C903 -17.2(10) . . . . ?
O4 C900 C902 C903 -21.6(12) . . . . ?
C900 C902 C903 C901 10.2(14) . . . . ?
O4 C901 C903 C902 4.7(13) . . . . ?
C913 C912 C911 C910 -177.8(13) . . . . ?
C912 C911 C910 C914 100.1(13) . . . . ?
