#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/98/7009815.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_7009815
loop_
_publ_author_name
'Durran, Sean E.'
'Smith, Martin B.'
'Slawin, Alexandra M. Z.'
'Steed, Jonathan W.'
_publ_section_title
;
 The synthesis and co-ordination chemistry of new functionalised
 pyridylphosphines derived from Ph2PCH2OH †
;
_journal_issue                   16
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2771
_journal_paper_doi               10.1039/b003759l
_journal_year                    2000
_chemical_formula_sum            'C54.5 H66.5 Cl11.5 N2 O2 P2 Ru2'
_chemical_formula_weight         1453.35
_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                93.695(2)
_cell_angle_beta                 104.682(2)
_cell_angle_gamma                101.304(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2902(3)
_cell_length_b                   13.6623(4)
_cell_length_c                   21.4044(7)
_cell_measurement_temperature    100(2)
_cell_volume                     3109.12(17)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'XSeed (Barbour, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '2o phi + omega'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.1074
_diffrn_reflns_av_sigmaI/netI    0.1195
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            18624
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.072
_exptl_absorpt_correction_T_max  0.9003
_exptl_absorpt_correction_T_min  0.8141
_exptl_absorpt_correction_type   Scalepack
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1474
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.529
_refine_diff_density_min         -1.399
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     684
_refine_ls_number_reflns         10808
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0592P)²+18.8848P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1427
_refine_ls_wR_factor_ref         0.1515
_reflns_number_gt                8679
_reflns_number_total             10808
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b003759l.txt
_cod_data_source_block           rupyphos
_cod_original_cell_volume        3109.12(16)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C54.50 H66.50 Cl11.50 N2 O2 P2 Ru2'
_cod_database_code               7009815
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 0.55567(4) 0.41716(3) 0.11986(2) 0.01798(13) Uani 1 1 d . . .
Cl1 Cl 0.68242(14) 0.58615(10) 0.14489(7) 0.0252(3) Uani 1 1 d . . .
P1 P 0.68780(13) 0.36577(10) 0.20667(7) 0.0161(3) Uani 1 1 d . . .
O1 O 0.6399(3) 0.3663(3) 0.27309(18) 0.0178(8) Uani 1 1 d . . .
N1 N 0.4875(4) 0.5091(3) 0.3646(2) 0.0213(10) Uani 1 1 d . . .
C1 C 0.6164(5) 0.4513(4) 0.3031(3) 0.0177(11) Uani 1 1 d . . .
Ru2 Ru 0.33761(4) 0.07122(3) 0.40141(2) 0.01626(13) Uani 1 1 d . . .
Cl2 Cl 0.69478(13) 0.37420(11) 0.05790(7) 0.0247(3) Uani 1 1 d . . .
P2 P 0.25292(13) 0.19399(10) 0.34488(7) 0.0162(3) Uani 1 1 d . . .
N2 N 0.4446(4) 0.3379(3) 0.3270(2) 0.0180(10) Uani 1 1 d . . .
C2 C 0.6859(5) 0.5471(4) 0.3077(3) 0.0220(12) Uani 1 1 d . . .
H2 H 0.7535 0.5601 0.2883 0.026 Uiso 1 1 calc R . .
Cl3 Cl 0.41634(13) 0.20529(10) 0.48994(6) 0.0219(3) Uani 1 1 d . . .
C3 C 0.6553(6) 0.6248(4) 0.3412(3) 0.0249(13) Uani 1 1 d . . .
H3 H 0.7019 0.6920 0.3454 0.030 Uiso 1 1 calc R . .
Cl4 Cl 0.52826(12) 0.13351(10) 0.36965(7) 0.0219(3) Uani 1 1 d . . .
C4 C 0.5556(6) 0.6025(4) 0.3683(3) 0.0251(13) Uani 1 1 d . . .
H4 H 0.5344 0.6560 0.3908 0.030 Uiso 1 1 calc R . .
C5 C 0.5174(5) 0.4340(4) 0.3328(3) 0.0170(11) Uani 1 1 d . . .
C6 C 0.3448(5) 0.3242(4) 0.3604(3) 0.0186(11) Uani 1 1 d . . .
H6A H 0.2883 0.3700 0.3454 0.022 Uiso 1 1 calc R . .
H6B H 0.3828 0.3425 0.4078 0.022 Uiso 1 1 calc R . .
C7 C 0.8542(5) 0.4224(4) 0.2367(3) 0.0178(11) Uani 1 1 d . . .
C8 C 0.9238(6) 0.4734(4) 0.1986(3) 0.0258(13) Uani 1 1 d . . .
H8 H 0.8838 0.4808 0.1549 0.031 Uiso 1 1 calc R . .
C9 C 1.0522(6) 0.5136(5) 0.2246(3) 0.0293(14) Uani 1 1 d . . .
H9 H 1.0992 0.5476 0.1984 0.035 Uiso 1 1 calc R . .
C10 C 1.1116(6) 0.5041(4) 0.2885(3) 0.0282(14) Uani 1 1 d . . .
H10 H 1.1989 0.5314 0.3059 0.034 Uiso 1 1 calc R . .
C11 C 1.0424(5) 0.4544(4) 0.3265(3) 0.0247(13) Uani 1 1 d . . .
H11 H 1.0826 0.4488 0.3705 0.030 Uiso 1 1 calc R . .
C12 C 0.9160(5) 0.4129(4) 0.3014(3) 0.0204(12) Uani 1 1 d . . .
H12 H 0.8702 0.3778 0.3278 0.025 Uiso 1 1 calc R . .
C13 C 0.6849(5) 0.2325(4) 0.1973(3) 0.0187(11) Uani 1 1 d . . .
C14 C 0.7688(6) 0.1972(4) 0.1684(3) 0.0244(13) Uani 1 1 d . . .
H14 H 0.8304 0.2435 0.1557 0.029 Uiso 1 1 calc R . .
C15 C 0.7626(6) 0.0945(5) 0.1582(3) 0.0299(14) Uani 1 1 d . . .
H15 H 0.8207 0.0710 0.1391 0.036 Uiso 1 1 calc R . .
C16 C 0.6724(6) 0.0266(5) 0.1758(3) 0.0282(14) Uani 1 1 d . . .
H16 H 0.6680 -0.0435 0.1683 0.034 Uiso 1 1 calc R . .
C17 C 0.5886(6) 0.0607(4) 0.2042(3) 0.0283(14) Uani 1 1 d . . .
H17 H 0.5270 0.0136 0.2163 0.034 Uiso 1 1 calc R . .
C18 C 0.5932(5) 0.1625(4) 0.2151(3) 0.0219(12) Uani 1 1 d . . .
H18 H 0.5349 0.1851 0.2345 0.026 Uiso 1 1 calc R . .
C19 C 0.1103(5) 0.2065(4) 0.3667(3) 0.0183(11) Uani 1 1 d . . .
C20 C 0.1190(5) 0.2613(4) 0.4260(3) 0.0210(12) Uani 1 1 d . . .
H20 H 0.1985 0.2973 0.4525 0.025 Uiso 1 1 calc R . .
C21 C 0.0118(6) 0.2631(4) 0.4458(3) 0.0263(13) Uani 1 1 d . . .
H21 H 0.0183 0.3009 0.4858 0.032 Uiso 1 1 calc R . .
C22 C -0.1056(5) 0.2101(4) 0.4077(3) 0.0256(13) Uani 1 1 d . . .
H22 H -0.1786 0.2107 0.4219 0.031 Uiso 1 1 calc R . .
C23 C -0.1145(5) 0.1565(4) 0.3488(3) 0.0233(13) Uani 1 1 d . . .
H23 H -0.1943 0.1209 0.3224 0.028 Uiso 1 1 calc R . .
C24 C -0.0082(5) 0.1544(4) 0.3282(3) 0.0203(12) Uani 1 1 d . . .
H24 H -0.0156 0.1175 0.2877 0.024 Uiso 1 1 calc R . .
C25 C 0.2050(5) 0.1723(4) 0.2559(3) 0.0200(12) Uani 1 1 d . . .
C26 C 0.1308(5) 0.2313(5) 0.2201(3) 0.0278(14) Uani 1 1 d . . .
H26 H 0.1061 0.2837 0.2416 0.033 Uiso 1 1 calc R . .
C27 C 0.0935(6) 0.2121(6) 0.1522(3) 0.0378(17) Uani 1 1 d . . .
H27 H 0.0439 0.2522 0.1274 0.045 Uiso 1 1 calc R . .
C28 C 0.1280(6) 0.1358(6) 0.1211(3) 0.0414(18) Uani 1 1 d . . .
H28 H 0.0987 0.1212 0.0751 0.050 Uiso 1 1 calc R . .
C29 C 0.2049(7) 0.0801(5) 0.1563(3) 0.0381(16) Uani 1 1 d . . .
H29 H 0.2310 0.0290 0.1343 0.046 Uiso 1 1 calc R . .
C30 C 0.2440(6) 0.0984(4) 0.2232(3) 0.0278(13) Uani 1 1 d . . .
H30 H 0.2979 0.0604 0.2472 0.033 Uiso 1 1 calc R . .
C31 C 0.3943(5) 0.4707(4) 0.1400(3) 0.0240(12) Uani 1 1 d . . .
C32 C 0.3945(5) 0.3746(5) 0.1595(3) 0.0245(13) Uani 1 1 d . . .
H32 H 0.3921 0.3642 0.2026 0.029 Uiso 1 1 calc R . .
C33 C 0.3983(5) 0.2923(4) 0.1163(3) 0.0238(13) Uani 1 1 d . . .
H33 H 0.4001 0.2284 0.1310 0.029 Uiso 1 1 calc R . .
C34 C 0.3991(5) 0.3057(4) 0.0514(3) 0.0247(13) Uani 1 1 d . . .
C35 C 0.3913(5) 0.4020(5) 0.0306(3) 0.0255(13) Uani 1 1 d . . .
H35 H 0.3867 0.4114 -0.0135 0.031 Uiso 1 1 calc R . .
C36 C 0.3903(5) 0.4823(5) 0.0735(3) 0.0245(13) Uani 1 1 d . . .
H36 H 0.3869 0.5460 0.0585 0.029 Uiso 1 1 calc R . .
C37 C 0.3947(6) 0.5594(5) 0.1855(3) 0.0325(15) Uani 1 1 d . . .
H37A H 0.3136 0.5788 0.1724 0.049 Uiso 1 1 calc R . .
H37B H 0.4619 0.6159 0.1839 0.049 Uiso 1 1 calc R . .
H37C H 0.4088 0.5412 0.2300 0.049 Uiso 1 1 calc R . .
C38 C 0.4016(6) 0.2200(5) 0.0025(3) 0.0320(14) Uani 1 1 d . . .
H38 H 0.4556 0.2491 -0.0252 0.038 Uiso 1 1 calc R . .
C39 C 0.4552(8) 0.1350(5) 0.0326(4) 0.0452(19) Uani 1 1 d . . .
H39A H 0.4031 0.1037 0.0594 0.068 Uiso 1 1 calc R . .
H39B H 0.5411 0.1618 0.0598 0.068 Uiso 1 1 calc R . .
H39C H 0.4560 0.0846 -0.0020 0.068 Uiso 1 1 calc R . .
C40 C 0.2675(7) 0.1827(6) -0.0419(3) 0.0430(18) Uani 1 1 d . . .
H40A H 0.2666 0.1296 -0.0752 0.065 Uiso 1 1 calc R . .
H40B H 0.2391 0.2388 -0.0630 0.065 Uiso 1 1 calc R . .
H40C H 0.2114 0.1560 -0.0159 0.065 Uiso 1 1 calc R . .
C41 C 0.2187(6) -0.0120(4) 0.4563(3) 0.0258(13) Uani 1 1 d . . .
C42 C 0.3331(5) -0.0460(4) 0.4710(3) 0.0246(13) Uani 1 1 d . . .
H42 H 0.3780 -0.0443 0.5152 0.029 Uiso 1 1 calc R . .
C43 C 0.3802(6) -0.0815(4) 0.4224(3) 0.0255(13) Uani 1 1 d . . .
H43 H 0.4566 -0.1038 0.4338 0.031 Uiso 1 1 calc R . .
C44 C 0.3149(5) -0.0851(4) 0.3549(3) 0.0239(13) Uani 1 1 d . . .
C45 C 0.1985(5) -0.0564(4) 0.3403(3) 0.0227(12) Uani 1 1 d . . .
H45 H 0.1515 -0.0610 0.2962 0.027 Uiso 1 1 calc R . .
C46 C 0.1504(5) -0.0208(4) 0.3904(3) 0.0225(12) Uani 1 1 d . . .
H46 H 0.0713 -0.0028 0.3794 0.027 Uiso 1 1 calc R . .
C47 C 0.1724(7) 0.0309(5) 0.5102(3) 0.0358(15) Uani 1 1 d . . .
H47A H 0.1266 -0.0241 0.5280 0.054 Uiso 1 1 calc R . .
H47B H 0.1164 0.0751 0.4929 0.054 Uiso 1 1 calc R . .
H47C H 0.2442 0.0696 0.5448 0.054 Uiso 1 1 calc R . .
C48 C 0.3619(6) -0.1310(4) 0.3020(3) 0.0303(14) Uani 1 1 d . . .
H48 H 0.3388 -0.0961 0.2625 0.036 Uiso 1 1 calc R . .
C49 C 0.5032(7) -0.1249(5) 0.3196(4) 0.0377(16) Uani 1 1 d . . .
H49A H 0.5481 -0.0544 0.3312 0.057 Uiso 1 1 calc R . .
H49B H 0.5254 -0.1541 0.2823 0.057 Uiso 1 1 calc R . .
H49C H 0.5268 -0.1624 0.3567 0.057 Uiso 1 1 calc R . .
C50 C 0.2924(8) -0.2424(5) 0.2852(4) 0.048(2) Uani 1 1 d . . .
H50A H 0.3085 -0.2766 0.3244 0.072 Uiso 1 1 calc R . .
H50B H 0.3226 -0.2747 0.2519 0.072 Uiso 1 1 calc R . .
H50C H 0.2021 -0.2467 0.2687 0.072 Uiso 1 1 calc R . .
Cl1S Cl -0.18792(16) 0.30487(11) 0.55237(8) 0.0320(3) Uani 1 1 d . . .
C1S C -0.2807(6) 0.3703(5) 0.4982(3) 0.0264(13) Uani 1 1 d . . .
H1S H -0.3474 0.3202 0.4653 0.032 Uiso 1 1 calc R . .
Cl2S Cl -0.35314(14) 0.44315(11) 0.54119(8) 0.0320(4) Uani 1 1 d . . .
C2S C 0.8673(7) 0.7845(6) 0.2558(4) 0.0459(19) Uani 1 1 d . . .
H2S H 0.7908 0.7328 0.2315 0.055 Uiso 1 1 calc R . .
Cl3S Cl -0.18785(17) 0.44667(13) 0.45756(8) 0.0391(4) Uani 1 1 d . . .
C3S C 0.7619(11) 0.2033(8) -0.0547(6) 0.022(2) Uiso 0.50 1 d P . .
H3S H 0.7532 0.2563 -0.0227 0.027 Uiso 0.50 1 calc PR A 1
Cl4S Cl 0.9417(3) 0.8363(3) 0.19919(11) 0.0996(12) Uani 1 1 d . . .
C4S C 0.9358(10) 0.6233(8) 0.0614(5) 0.017(2) Uiso 0.50 1 d P . .
Cl5S Cl 0.96409(15) 0.72561(12) 0.31069(10) 0.0442(4) Uani 1 1 d . . .
C5S C 0.9417(14) 0.6457(11) -0.0210(7) 0.042(3) Uiso 0.50 1 d P . .
Cl6S Cl 0.81883(19) 0.87846(14) 0.29746(12) 0.0587(6) Uani 1 1 d . . .
O1S O 0.9458(7) 0.5539(7) -0.0604(4) 0.0171(17) Uiso 0.50 1 d P . .
Cl7S Cl 0.6150(8) 0.1834(7) -0.1115(4) 0.045(2) Uiso 0.25 1 d P B 1
Cl8S Cl 0.8746(11) 0.2714(9) -0.0848(6) 0.080(3) Uiso 0.25 1 d P . 1
Cl9S Cl 0.7888(8) 0.1088(5) -0.0041(3) 0.0296(16) Uiso 0.25 1 d P B 1
O2S O 0.9202(8) 0.5077(9) -0.0551(4) 0.0246(19) Uiso 0.50 1 d P . .
C7S C 0.9411(17) 0.5244(13) 0.0107(9) 0.057(4) Uiso 0.50 1 d P . .
C6S C 0.9092(11) 0.4504(11) -0.0637(6) 0.024(3) Uiso 0.50 1 d P . .
H2N H 0.489(6) 0.288(5) 0.330(3) 0.019(15) Uiso 1 1 d . . .
Cl10 Cl 0.6239(7) 0.1465(6) -0.1071(4) 0.0353(17) Uiso 0.25 1 d P B 2
Cl11 Cl 0.8431(10) 0.2023(8) -0.1216(5) 0.070(2) Uiso 0.25 1 d P B 2
Cl12 Cl 0.8337(8) 0.1251(5) -0.0067(3) 0.0292(16) Uiso 0.25 1 d P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C33 Ru1 C32 37.9(2) . . ?
C33 Ru1 C31 68.1(2) . . ?
C32 Ru1 C31 37.1(2) . . ?
C33 Ru1 C34 37.4(2) . . ?
C32 Ru1 C34 67.7(2) . . ?
C31 Ru1 C34 80.5(2) . . ?
C33 Ru1 C36 78.6(2) . . ?
C32 Ru1 C36 66.1(2) . . ?
C31 Ru1 C36 37.3(2) . . ?
C34 Ru1 C36 66.5(2) . . ?
C33 Ru1 C35 66.3(2) . . ?
C32 Ru1 C35 77.8(2) . . ?
C31 Ru1 C35 66.4(2) . . ?
C34 Ru1 C35 37.1(2) . . ?
C36 Ru1 C35 35.7(2) . . ?
C33 Ru1 P1 93.13(15) . . ?
C32 Ru1 P1 91.88(16) . . ?
C31 Ru1 P1 116.28(16) . . ?
C34 Ru1 P1 120.24(16) . . ?
C36 Ru1 P1 153.52(16) . . ?
C35 Ru1 P1 157.27(16) . . ?
C33 Ru1 Cl1 157.98(17) . . ?
C32 Ru1 Cl1 120.38(17) . . ?
C31 Ru1 Cl1 90.70(15) . . ?
C34 Ru1 Cl1 148.30(15) . . ?
C36 Ru1 Cl1 88.13(16) . . ?
C35 Ru1 Cl1 111.70(16) . . ?
P1 Ru1 Cl1 91.00(5) . . ?
C33 Ru1 Cl2 113.07(17) . . ?
C32 Ru1 Cl2 150.76(17) . . ?
C31 Ru1 Cl2 158.33(16) . . ?
C34 Ru1 Cl2 88.59(16) . . ?
C36 Ru1 Cl2 121.03(16) . . ?
C35 Ru1 Cl2 93.79(16) . . ?
P1 Ru1 Cl2 85.39(5) . . ?
Cl1 Ru1 Cl2 88.81(5) . . ?
O1 P1 C13 96.2(2) . . ?
O1 P1 C7 103.1(2) . . ?
C13 P1 C7 103.0(2) . . ?
O1 P1 Ru1 113.81(14) . . ?
C13 P1 Ru1 113.71(18) . . ?
C7 P1 Ru1 123.18(18) . . ?
C1 O1 P1 123.5(3) . . ?
C5 N1 C4 118.2(5) . . ?
C2 C1 O1 124.4(5) . . ?
C2 C1 C5 119.5(5) . . ?
O1 C1 C5 116.0(5) . . ?
C46 Ru2 C45 37.8(2) . . ?
C46 Ru2 C41 37.5(2) . . ?
C45 Ru2 C41 68.0(2) . . ?
C46 Ru2 C44 67.7(2) . . ?
C45 Ru2 C44 37.1(2) . . ?
C41 Ru2 C44 80.5(2) . . ?
C46 Ru2 C42 66.3(2) . . ?
C45 Ru2 C42 78.1(2) . . ?
C41 Ru2 C42 37.2(2) . . ?
C44 Ru2 C42 66.2(2) . . ?
C46 Ru2 C43 78.0(2) . . ?
C45 Ru2 C43 66.0(2) . . ?
C41 Ru2 C43 66.3(2) . . ?
C44 Ru2 C43 37.2(2) . . ?
C42 Ru2 C43 35.5(2) . . ?
C46 Ru2 P2 91.37(15) . . ?
C45 Ru2 P2 94.97(15) . . ?
C41 Ru2 P2 114.71(16) . . ?
C44 Ru2 P2 122.64(16) . . ?
C42 Ru2 P2 151.74(16) . . ?
C43 Ru2 P2 159.65(16) . . ?
C46 Ru2 Cl3 117.19(17) . . ?
C45 Ru2 Cl3 154.98(16) . . ?
C41 Ru2 Cl3 89.89(17) . . ?
C44 Ru2 Cl3 153.95(16) . . ?
C42 Ru2 Cl3 91.58(16) . . ?
C43 Ru2 Cl3 116.89(16) . . ?
P2 Ru2 Cl3 83.38(5) . . ?
C46 Ru2 Cl4 155.97(17) . . ?
C45 Ru2 Cl4 118.43(16) . . ?
C41 Ru2 Cl4 157.24(16) . . ?
C44 Ru2 Cl4 93.04(15) . . ?
C42 Ru2 Cl4 120.34(16) . . ?
C43 Ru2 Cl4 95.44(16) . . ?
P2 Ru2 Cl4 87.20(5) . . ?
Cl3 Ru2 Cl4 86.49(5) . . ?
C19 P2 C25 104.4(3) . . ?
C19 P2 C6 102.6(2) . . ?
C25 P2 C6 102.0(2) . . ?
C19 P2 Ru2 109.22(17) . . ?
C25 P2 Ru2 117.83(19) . . ?
C6 P2 Ru2 118.93(18) . . ?
C5 N2 C6 117.4(4) . . ?
C1 C2 C3 118.6(5) . . ?
C4 C3 C2 118.7(5) . . ?
N1 C4 C3 123.2(5) . . ?
N1 C5 N2 118.2(5) . . ?
N1 C5 C1 121.8(5) . . ?
N2 C5 C1 119.9(5) . . ?
N2 C6 P2 111.8(4) . . ?
C8 C7 C12 118.8(5) . . ?
C8 C7 P1 123.1(4) . . ?
C12 C7 P1 118.1(4) . . ?
C9 C8 C7 120.0(6) . . ?
C10 C9 C8 120.6(6) . . ?
C11 C10 C9 119.4(6) . . ?
C12 C11 C10 120.8(6) . . ?
C11 C12 C7 120.4(5) . . ?
C14 C13 C18 119.1(5) . . ?
C14 C13 P1 120.1(4) . . ?
C18 C13 P1 120.7(4) . . ?
C15 C14 C13 120.2(5) . . ?
C16 C15 C14 120.3(6) . . ?
C15 C16 C17 120.0(6) . . ?
C16 C17 C18 120.8(6) . . ?
C17 C18 C13 119.6(6) . . ?
C20 C19 C24 118.9(5) . . ?
C20 C19 P2 119.7(4) . . ?
C24 C19 P2 121.2(4) . . ?
C21 C20 C19 120.0(5) . . ?
C20 C21 C22 120.8(6) . . ?
C23 C22 C21 119.3(5) . . ?
C24 C23 C22 120.6(5) . . ?
C23 C24 C19 120.4(5) . . ?
C30 C25 C26 119.5(5) . . ?
C30 C25 P2 120.4(4) . . ?
C26 C25 P2 120.1(5) . . ?
C27 C26 C25 119.0(6) . . ?
C28 C27 C26 120.5(6) . . ?
C27 C28 C29 120.4(6) . . ?
C30 C29 C28 120.1(7) . . ?
C29 C30 C25 120.4(6) . . ?
C32 C31 C36 117.7(5) . . ?
C32 C31 C37 122.5(5) . . ?
C36 C31 C37 119.8(5) . . ?
C32 C31 Ru1 70.4(3) . . ?
C36 C31 Ru1 72.8(3) . . ?
C37 C31 Ru1 129.0(4) . . ?
C31 C32 C33 121.7(5) . . ?
C31 C32 Ru1 72.5(3) . . ?
C33 C32 Ru1 71.1(3) . . ?
C34 C33 C32 120.1(5) . . ?
C34 C33 Ru1 72.5(3) . . ?
C32 C33 Ru1 71.0(3) . . ?
C33 C34 C35 118.0(5) . . ?
C33 C34 C38 122.5(5) . . ?
C35 C34 C38 119.4(5) . . ?
C33 C34 Ru1 70.1(3) . . ?
C35 C34 Ru1 73.2(3) . . ?
C38 C34 Ru1 130.4(4) . . ?
C36 C35 C34 121.4(5) . . ?
C36 C35 Ru1 71.7(3) . . ?
C34 C35 Ru1 69.8(3) . . ?
C35 C36 C31 121.0(5) . . ?
C35 C36 Ru1 72.5(3) . . ?
C31 C36 Ru1 69.9(3) . . ?
C39 C38 C34 114.8(5) . . ?
C39 C38 C40 112.1(6) . . ?
C34 C38 C40 107.4(5) . . ?
C46 C41 C42 117.9(6) . . ?
C46 C41 C47 121.7(6) . . ?
C42 C41 C47 120.4(6) . . ?
C46 C41 Ru2 70.6(3) . . ?
C42 C41 Ru2 73.6(3) . . ?
C47 C41 Ru2 127.3(4) . . ?
C43 C42 C41 121.5(5) . . ?
C43 C42 Ru2 73.0(3) . . ?
C41 C42 Ru2 69.2(3) . . ?
C42 C43 C44 120.9(6) . . ?
C42 C43 Ru2 71.5(3) . . ?
C44 C43 Ru2 69.8(3) . . ?
C45 C44 C43 117.6(5) . . ?
C45 C44 C48 121.3(5) . . ?
C43 C44 C48 120.6(5) . . ?
C45 C44 Ru2 69.8(3) . . ?
C43 C44 Ru2 73.0(3) . . ?
C48 C44 Ru2 134.7(4) . . ?
C44 C45 C46 121.1(5) . . ?
C44 C45 Ru2 73.1(3) . . ?
C46 C45 Ru2 70.8(3) . . ?
C41 C46 C45 120.8(5) . . ?
C41 C46 Ru2 71.9(3) . . ?
C45 C46 Ru2 71.4(3) . . ?
C44 C48 C49 115.1(6) . . ?
C44 C48 C50 107.6(5) . . ?
C49 C48 C50 109.0(5) . . ?
Cl2S C1S Cl3S 110.6(3) . . ?
Cl2S C1S Cl1S 109.9(3) . . ?
Cl3S C1S Cl1S 110.3(3) . . ?
Cl5S C2S Cl4S 111.6(5) . . ?
Cl5S C2S Cl6S 110.5(4) . . ?
Cl4S C2S Cl6S 110.2(4) . . ?
Cl10 C3S Cl12 114.3(7) . . ?
Cl10 C3S Cl8S 118.3(8) . . ?
Cl12 C3S Cl8S 106.2(8) . . ?
Cl10 C3S Cl7S 18.1(3) . . ?
Cl12 C3S Cl7S 131.8(8) . . ?
Cl8S C3S Cl7S 110.0(8) . . ?
Cl10 C3S Cl9S 100.9(7) . . ?
Cl12 C3S Cl9S 17.5(3) . . ?
Cl8S C3S Cl9S 123.6(8) . . ?
Cl7S C3S Cl9S 117.2(7) . . ?
Cl10 C3S Cl11 91.0(7) . . ?
Cl12 C3S Cl11 100.1(7) . . ?
Cl8S C3S Cl11 36.0(5) . . ?
Cl7S C3S Cl11 91.3(7) . . ?
Cl9S C3S Cl11 112.7(7) . . ?
C7S C4S C5S 62.5(9) . . ?
C7S C4S Cl8S 106.5(9) . 2_765 ?
C5S C4S Cl8S 80.9(7) . 2_765 ?
O1S C5S C4S 112.4(10) . . ?
O1S C5S C7S 57.1(8) . . ?
C4S C5S C7S 55.4(8) . . ?
O1S C5S O2S 17.2(4) . . ?
C4S C5S O2S 97.2(8) . . ?
C7S C5S O2S 42.5(7) . . ?
O2S O1S C6S 17.1(10) . . ?
O2S O1S C5S 122.1(14) . . ?
C6S O1S C5S 139.2(10) . . ?
O2S O1S C7S 56.7(12) . . ?
C6S O1S C7S 70.8(9) . . ?
C5S O1S C7S 72.4(9) . . ?
C3S Cl8S C4S 146.4(8) . 2_765 ?
O1S O2S C6S 148.0(19) . . ?
O1S O2S C7S 99.0(15) . . ?
C6S O2S C7S 106.3(15) . . ?
O1S O2S C7S 98.2(12) . 2_765 ?
C6S O2S C7S 75.1(13) . 2_765 ?
C7S O2S C7S 66.3(12) . 2_765 ?
O1S O2S C5S 40.7(11) . . ?
C6S O2S C5S 170.9(14) . . ?
C7S O2S C5S 65.0(10) . . ?
C7S O2S C5S 102.8(9) 2_765 . ?
O2S C7S O1S 24.3(5) . . ?
O2S C7S C4S 133.1(14) . . ?
O1S C7S C4S 112.6(11) . . ?
O2S C7S C6S 122.2(13) . 2_765 ?
O1S C7S C6S 110.8(11) . 2_765 ?
C4S C7S C6S 78.7(10) . 2_765 ?
O2S C7S C6S 25.0(6) . . ?
O1S C7S C6S 48.6(7) . . ?
C4S C7S C6S 155.9(13) . . ?
C6S C7S C6S 119.8(11) 2_765 . ?
O2S C7S C7S 67.9(12) . 2_765 ?
O1S C7S C7S 72.0(12) . 2_765 ?
C4S C7S C7S 135.8(17) . 2_765 ?
C6S C7S C7S 60.2(11) 2_765 2_765 ?
C6S C7S C7S 59.6(11) . 2_765 ?
O2S C7S O2S 113.7(12) . 2_765 ?
O1S C7S O2S 113.5(11) . 2_765 ?
C4S C7S O2S 100.4(11) . 2_765 ?
C6S C7S O2S 25.4(5) 2_765 2_765 ?
C6S C7S O2S 101.6(10) . 2_765 ?
C7S C7S O2S 45.8(9) 2_765 2_765 ?
O2S C7S C5S 72.4(10) . . ?
O1S C7S C5S 50.5(8) . . ?
C4S C7S C5S 62.1(8) . . ?
C6S C7S C5S 100.1(11) 2_765 . ?
C6S C7S C5S 97.4(11) . . ?
C7S C7S C5S 107.7(15) 2_765 . ?
O2S C7S C5S 122.2(11) 2_765 . ?
O2S C6S O1S 14.9(9) . . ?
O2S C6S C7S 79.5(13) . 2_765 ?
O1S C6S C7S 77.7(9) . 2_765 ?
O2S C6S C7S 48.6(12) . . ?
O1S C6S C7S 60.7(9) . . ?
C7S C6S C7S 60.2(11) 2_765 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C33 2.191(6) . ?
Ru1 C32 2.190(6) . ?
Ru1 C31 2.218(6) . ?
Ru1 C34 2.222(6) . ?
Ru1 C36 2.256(6) . ?
Ru1 C35 2.266(6) . ?
Ru1 P1 2.3119(14) . ?
Ru1 Cl1 2.4130(14) . ?
Ru1 Cl2 2.4263(15) . ?
P1 O1 1.644(4) . ?
P1 C13 1.812(6) . ?
P1 C7 1.815(5) . ?
O1 C1 1.393(6) . ?
N1 C5 1.339(7) . ?
N1 C4 1.340(7) . ?
C1 C2 1.372(8) . ?
C1 C5 1.409(8) . ?
Ru2 C46 2.184(5) . ?
Ru2 C45 2.193(5) . ?
Ru2 C41 2.201(6) . ?
Ru2 C44 2.235(6) . ?
Ru2 C42 2.259(5) . ?
Ru2 C43 2.278(6) . ?
Ru2 P2 2.3443(14) . ?
Ru2 Cl3 2.4076(14) . ?
Ru2 Cl4 2.4327(14) . ?
P2 C19 1.821(6) . ?
P2 C25 1.831(6) . ?
P2 C6 1.838(5) . ?
N2 C5 1.385(7) . ?
N2 C6 1.468(7) . ?
C2 C3 1.390(8) . ?
C3 C4 1.386(8) . ?
C7 C8 1.398(8) . ?
C7 C12 1.410(8) . ?
C8 C9 1.397(9) . ?
C9 C10 1.388(9) . ?
C10 C11 1.385(9) . ?
C11 C12 1.380(8) . ?
C13 C14 1.395(8) . ?
C13 C18 1.411(8) . ?
C14 C15 1.392(9) . ?
C15 C16 1.381(9) . ?
C16 C17 1.382(9) . ?
C17 C18 1.384(8) . ?
C19 C20 1.403(8) . ?
C19 C24 1.403(8) . ?
C20 C21 1.384(8) . ?
C21 C22 1.395(9) . ?
C22 C23 1.386(9) . ?
C23 C24 1.385(8) . ?
C25 C30 1.394(9) . ?
C25 C26 1.399(8) . ?
C26 C27 1.398(9) . ?
C27 C28 1.373(11) . ?
C28 C29 1.378(11) . ?
C29 C30 1.378(9) . ?
C31 C32 1.404(8) . ?
C31 C36 1.432(8) . ?
C31 C37 1.504(9) . ?
C32 C33 1.423(9) . ?
C33 C34 1.415(8) . ?
C34 C35 1.428(8) . ?
C34 C38 1.529(9) . ?
C35 C36 1.388(9) . ?
C38 C39 1.518(9) . ?
C38 C40 1.536(9) . ?
C41 C46 1.410(8) . ?
C41 C42 1.425(9) . ?
C41 C47 1.513(9) . ?
C42 C43 1.384(9) . ?
C43 C44 1.439(9) . ?
C44 C45 1.409(8) . ?
C44 C48 1.516(9) . ?
C45 C46 1.417(9) . ?
C48 C49 1.528(10) . ?
C48 C50 1.542(9) . ?
Cl1S C1S 1.768(6) . ?
C1S Cl2S 1.757(6) . ?
C1S Cl3S 1.760(6) . ?
C2S Cl5S 1.743(8) . ?
C2S Cl4S 1.752(8) . ?
C2S Cl6S 1.765(9) . ?
C3S Cl10 1.678(13) . ?
C3S Cl12 1.706(13) . ?
C3S Cl8S 1.712(16) . ?
C3S Cl7S 1.750(14) . ?
C3S Cl9S 1.759(13) . ?
C3S Cl11 1.888(16) . ?
C4S C7S 1.70(2) . ?
C4S C5S 1.823(18) . ?
C4S Cl8S 2.249(16) 2_765 ?
C5S O1S 1.481(17) . ?
C5S C7S 1.83(2) . ?
C5S O2S 1.924(19) . ?
O1S O2S 0.671(9) . ?
O1S C6S 1.386(14) . ?
O1S C7S 1.612(19) . ?
Cl8S C4S 2.249(16) 2_765 ?
O2S C6S 0.770(12) . ?
O2S C7S 1.36(2) . ?
O2S C7S 1.76(2) 2_765 ?
C7S C6S 1.74(2) 2_765 ?
C7S C6S 1.74(2) . ?
C7S C7S 1.74(4) 2_765 ?
C7S O2S 1.76(2) 2_765 ?
C6S C7S 1.74(2) 2_765 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2N Cl4 0.92(7) 2.41(6) 3.233(5) 150(5) .
C2S H2S Cl1 1.00 2.52 3.432(7) 151.1 .
C32 H32 N2 0.95 2.64 3.570(7) 166.0 .
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
C33 Ru1 P1 O1 -62.4(2) . . . . ?
C32 Ru1 P1 O1 -24.5(2) . . . . ?
C31 Ru1 P1 O1 4.7(2) . . . . ?
C34 Ru1 P1 O1 -89.6(2) . . . . ?
C36 Ru1 P1 O1 8.2(4) . . . . ?
C35 Ru1 P1 O1 -86.5(4) . . . . ?
Cl1 Ru1 P1 O1 95.98(15) . . . . ?
Cl2 Ru1 P1 O1 -175.29(16) . . . . ?
C33 Ru1 P1 C13 46.5(3) . . . . ?
C32 Ru1 P1 C13 84.4(3) . . . . ?
C31 Ru1 P1 C13 113.6(3) . . . . ?
C34 Ru1 P1 C13 19.2(3) . . . . ?
C36 Ru1 P1 C13 117.0(4) . . . . ?
C35 Ru1 P1 C13 22.3(5) . . . . ?
Cl1 Ru1 P1 C13 -155.2(2) . . . . ?
Cl2 Ru1 P1 C13 -66.4(2) . . . . ?
C33 Ru1 P1 C7 171.9(3) . . . . ?
C32 Ru1 P1 C7 -150.2(3) . . . . ?
C31 Ru1 P1 C7 -121.0(3) . . . . ?
C34 Ru1 P1 C7 144.7(3) . . . . ?
C36 Ru1 P1 C7 -117.6(4) . . . . ?
C35 Ru1 P1 C7 147.8(5) . . . . ?
Cl1 Ru1 P1 C7 -29.7(2) . . . . ?
Cl2 Ru1 P1 C7 59.0(2) . . . . ?
C13 P1 O1 C1 -176.3(4) . . . . ?
C7 P1 O1 C1 78.8(4) . . . . ?
Ru1 P1 O1 C1 -56.9(4) . . . . ?
P1 O1 C1 C2 -37.4(7) . . . . ?
P1 O1 C1 C5 145.6(4) . . . . ?
C46 Ru2 P2 C19 37.6(3) . . . . ?
C45 Ru2 P2 C19 75.3(3) . . . . ?
C41 Ru2 P2 C19 7.2(3) . . . . ?
C44 Ru2 P2 C19 101.8(3) . . . . ?
C42 Ru2 P2 C19 1.3(4) . . . . ?
C43 Ru2 P2 C19 95.5(5) . . . . ?
Cl3 Ru2 P2 C19 -79.6(2) . . . . ?
Cl4 Ru2 P2 C19 -166.4(2) . . . . ?
C46 Ru2 P2 C25 -81.2(3) . . . . ?
C45 Ru2 P2 C25 -43.5(3) . . . . ?
C41 Ru2 P2 C25 -111.6(3) . . . . ?
C44 Ru2 P2 C25 -17.0(3) . . . . ?
C42 Ru2 P2 C25 -117.5(4) . . . . ?
C43 Ru2 P2 C25 -23.3(5) . . . . ?
Cl3 Ru2 P2 C25 161.6(2) . . . . ?
Cl4 Ru2 P2 C25 74.8(2) . . . . ?
C46 Ru2 P2 C6 154.7(3) . . . . ?
C45 Ru2 P2 C6 -167.6(3) . . . . ?
C41 Ru2 P2 C6 124.3(3) . . . . ?
C44 Ru2 P2 C6 -141.1(3) . . . . ?
C42 Ru2 P2 C6 118.5(4) . . . . ?
C43 Ru2 P2 C6 -147.4(5) . . . . ?
Cl3 Ru2 P2 C6 37.5(2) . . . . ?
Cl4 Ru2 P2 C6 -49.3(2) . . . . ?
O1 C1 C2 C3 -177.5(5) . . . . ?
C5 C1 C2 C3 -0.6(8) . . . . ?
C1 C2 C3 C4 -0.3(9) . . . . ?
C5 N1 C4 C3 -0.2(9) . . . . ?
C2 C3 C4 N1 0.7(9) . . . . ?
C4 N1 C5 N2 -178.0(5) . . . . ?
C4 N1 C5 C1 -0.7(8) . . . . ?
C6 N2 C5 N1 -4.2(7) . . . . ?
C6 N2 C5 C1 178.5(5) . . . . ?
C2 C1 C5 N1 1.2(8) . . . . ?
O1 C1 C5 N1 178.3(5) . . . . ?
C2 C1 C5 N2 178.3(5) . . . . ?
O1 C1 C5 N2 -4.5(7) . . . . ?
C5 N2 C6 P2 177.4(4) . . . . ?
C19 P2 C6 N2 -161.6(4) . . . . ?
C25 P2 C6 N2 -53.7(4) . . . . ?
Ru2 P2 C6 N2 77.8(4) . . . . ?
O1 P1 C7 C8 -153.8(5) . . . . ?
C13 P1 C7 C8 106.6(5) . . . . ?
Ru1 P1 C7 C8 -23.4(6) . . . . ?
O1 P1 C7 C12 27.1(5) . . . . ?
C13 P1 C7 C12 -72.5(5) . . . . ?
Ru1 P1 C7 C12 157.4(3) . . . . ?
C12 C7 C8 C9 0.3(9) . . . . ?
P1 C7 C8 C9 -178.8(5) . . . . ?
C7 C8 C9 C10 -0.6(9) . . . . ?
C8 C9 C10 C11 -0.1(9) . . . . ?
C9 C10 C11 C12 1.1(9) . . . . ?
C10 C11 C12 C7 -1.4(9) . . . . ?
C8 C7 C12 C11 0.7(8) . . . . ?
P1 C7 C12 C11 179.8(4) . . . . ?
O1 P1 C13 C14 -149.6(5) . . . . ?
C7 P1 C13 C14 -44.6(5) . . . . ?
Ru1 P1 C13 C14 90.9(5) . . . . ?
O1 P1 C13 C18 34.4(5) . . . . ?
C7 P1 C13 C18 139.4(5) . . . . ?
Ru1 P1 C13 C18 -85.0(5) . . . . ?
C18 C13 C14 C15 -0.7(9) . . . . ?
P1 C13 C14 C15 -176.8(5) . . . . ?
C13 C14 C15 C16 0.8(9) . . . . ?
C14 C15 C16 C17 -0.7(9) . . . . ?
C15 C16 C17 C18 0.4(9) . . . . ?
C16 C17 C18 C13 -0.2(9) . . . . ?
C14 C13 C18 C17 0.4(8) . . . . ?
P1 C13 C18 C17 176.5(5) . . . . ?
C25 P2 C19 C20 -154.7(4) . . . . ?
C6 P2 C19 C20 -48.6(5) . . . . ?
Ru2 P2 C19 C20 78.4(4) . . . . ?
C25 P2 C19 C24 31.4(5) . . . . ?
C6 P2 C19 C24 137.5(4) . . . . ?
Ru2 P2 C19 C24 -95.5(4) . . . . ?
C24 C19 C20 C21 0.3(8) . . . . ?
P2 C19 C20 C21 -173.7(4) . . . . ?
C19 C20 C21 C22 0.5(8) . . . . ?
C20 C21 C22 C23 -1.1(9) . . . . ?
C21 C22 C23 C24 0.8(8) . . . . ?
C22 C23 C24 C19 0.1(8) . . . . ?
C20 C19 C24 C23 -0.6(8) . . . . ?
P2 C19 C24 C23 173.3(4) . . . . ?
C19 P2 C25 C30 -135.8(5) . . . . ?
C6 P2 C25 C30 117.6(5) . . . . ?
Ru2 P2 C25 C30 -14.5(5) . . . . ?
C19 P2 C25 C26 45.4(5) . . . . ?
C6 P2 C25 C26 -61.2(5) . . . . ?
Ru2 P2 C25 C26 166.7(4) . . . . ?
C30 C25 C26 C27 2.4(8) . . . . ?
P2 C25 C26 C27 -178.8(5) . . . . ?
C25 C26 C27 C28 0.7(9) . . . . ?
C26 C27 C28 C29 -3.1(10) . . . . ?
C27 C28 C29 C30 2.4(10) . . . . ?
C28 C29 C30 C25 0.8(10) . . . . ?
C26 C25 C30 C29 -3.1(9) . . . . ?
P2 C25 C30 C29 178.1(5) . . . . ?
C33 Ru1 C31 C32 28.6(3) . . . . ?
C34 Ru1 C31 C32 65.4(4) . . . . ?
C36 Ru1 C31 C32 128.8(5) . . . . ?
C35 Ru1 C31 C32 101.3(4) . . . . ?
P1 Ru1 C31 C32 -53.8(4) . . . . ?
Cl1 Ru1 C31 C32 -145.2(3) . . . . ?
Cl2 Ru1 C31 C32 126.2(4) . . . . ?
C33 Ru1 C31 C36 -100.2(4) . . . . ?
C32 Ru1 C31 C36 -128.8(5) . . . . ?
C34 Ru1 C31 C36 -63.4(3) . . . . ?
C35 Ru1 C31 C36 -27.5(3) . . . . ?
P1 Ru1 C31 C36 177.4(3) . . . . ?
Cl1 Ru1 C31 C36 86.0(3) . . . . ?
Cl2 Ru1 C31 C36 -2.6(6) . . . . ?
C33 Ru1 C31 C37 145.0(6) . . . . ?
C32 Ru1 C31 C37 116.4(7) . . . . ?
C34 Ru1 C31 C37 -178.2(6) . . . . ?
C36 Ru1 C31 C37 -114.8(7) . . . . ?
C35 Ru1 C31 C37 -142.3(6) . . . . ?
P1 Ru1 C31 C37 62.6(6) . . . . ?
Cl1 Ru1 C31 C37 -28.8(5) . . . . ?
Cl2 Ru1 C31 C37 -117.4(5) . . . . ?
C36 C31 C32 C33 3.7(8) . . . . ?
C37 C31 C32 C33 -177.9(5) . . . . ?
Ru1 C31 C32 C33 -53.5(5) . . . . ?
C36 C31 C32 Ru1 57.2(5) . . . . ?
C37 C31 C32 Ru1 -124.4(5) . . . . ?
C33 Ru1 C32 C31 -133.7(5) . . . . ?
C34 Ru1 C32 C31 -104.3(4) . . . . ?
C36 Ru1 C32 C31 -31.1(3) . . . . ?
C35 Ru1 C32 C31 -66.8(3) . . . . ?
P1 Ru1 C32 C31 133.7(3) . . . . ?
Cl1 Ru1 C32 C31 41.4(4) . . . . ?
Cl2 Ru1 C32 C31 -142.4(3) . . . . ?
C31 Ru1 C32 C33 133.7(5) . . . . ?
C34 Ru1 C32 C33 29.4(3) . . . . ?
C36 Ru1 C32 C33 102.6(4) . . . . ?
C35 Ru1 C32 C33 66.9(4) . . . . ?
P1 Ru1 C32 C33 -92.7(3) . . . . ?
Cl1 Ru1 C32 C33 175.1(3) . . . . ?
Cl2 Ru1 C32 C33 -8.8(5) . . . . ?
C31 C32 C33 C34 -1.4(9) . . . . ?
Ru1 C32 C33 C34 -55.5(5) . . . . ?
C31 C32 C33 Ru1 54.2(5) . . . . ?
C32 Ru1 C33 C34 131.6(5) . . . . ?
C31 Ru1 C33 C34 103.5(4) . . . . ?
C36 Ru1 C33 C34 66.0(4) . . . . ?
C35 Ru1 C33 C34 30.7(4) . . . . ?
P1 Ru1 C33 C34 -139.4(3) . . . . ?
Cl1 Ru1 C33 C34 120.2(4) . . . . ?
Cl2 Ru1 C33 C34 -53.1(4) . . . . ?
C31 Ru1 C33 C32 -28.1(3) . . . . ?
C34 Ru1 C33 C32 -131.6(5) . . . . ?
C36 Ru1 C33 C32 -65.6(3) . . . . ?
C35 Ru1 C33 C32 -100.9(4) . . . . ?
P1 Ru1 C33 C32 89.0(3) . . . . ?
Cl1 Ru1 C33 C32 -11.4(6) . . . . ?
Cl2 Ru1 C33 C32 175.4(3) . . . . ?
C32 C33 C34 C35 -2.4(8) . . . . ?
Ru1 C33 C34 C35 -57.2(5) . . . . ?
C32 C33 C34 C38 -179.3(5) . . . . ?
Ru1 C33 C34 C38 125.9(6) . . . . ?
C32 C33 C34 Ru1 54.8(5) . . . . ?
C32 Ru1 C34 C33 -29.8(3) . . . . ?
C31 Ru1 C34 C33 -66.2(4) . . . . ?
C36 Ru1 C34 C33 -102.4(4) . . . . ?
C35 Ru1 C34 C33 -129.2(5) . . . . ?
P1 Ru1 C34 C33 48.8(4) . . . . ?
Cl1 Ru1 C34 C33 -141.9(3) . . . . ?
Cl2 Ru1 C34 C33 132.6(3) . . . . ?
C33 Ru1 C34 C35 129.2(5) . . . . ?
C32 Ru1 C34 C35 99.4(4) . . . . ?
C31 Ru1 C34 C35 63.0(4) . . . . ?
C36 Ru1 C34 C35 26.8(3) . . . . ?
P1 Ru1 C34 C35 178.0(3) . . . . ?
Cl1 Ru1 C34 C35 -12.7(5) . . . . ?
Cl2 Ru1 C34 C35 -98.2(3) . . . . ?
C33 Ru1 C34 C38 -116.2(7) . . . . ?
C32 Ru1 C34 C38 -146.0(6) . . . . ?
C31 Ru1 C34 C38 177.6(6) . . . . ?
C36 Ru1 C34 C38 141.4(6) . . . . ?
C35 Ru1 C34 C38 114.6(7) . . . . ?
P1 Ru1 C34 C38 -67.4(6) . . . . ?
Cl1 Ru1 C34 C38 101.9(6) . . . . ?
Cl2 Ru1 C34 C38 16.4(5) . . . . ?
C33 C34 C35 C36 3.7(8) . . . . ?
C38 C34 C35 C36 -179.2(5) . . . . ?
Ru1 C34 C35 C36 -51.9(5) . . . . ?
C33 C34 C35 Ru1 55.7(5) . . . . ?
C38 C34 C35 Ru1 -127.3(5) . . . . ?
C33 Ru1 C35 C36 104.0(4) . . . . ?
C32 Ru1 C35 C36 65.9(4) . . . . ?
C31 Ru1 C35 C36 28.6(3) . . . . ?
C34 Ru1 C35 C36 135.0(5) . . . . ?
P1 Ru1 C35 C36 130.5(4) . . . . ?
Cl1 Ru1 C35 C36 -52.2(4) . . . . ?
Cl2 Ru1 C35 C36 -142.4(3) . . . . ?
C33 Ru1 C35 C34 -30.9(4) . . . . ?
C32 Ru1 C35 C34 -69.1(4) . . . . ?
C31 Ru1 C35 C34 -106.3(4) . . . . ?
C36 Ru1 C35 C34 -135.0(5) . . . . ?
P1 Ru1 C35 C34 -4.5(7) . . . . ?
Cl1 Ru1 C35 C34 172.9(3) . . . . ?
Cl2 Ru1 C35 C34 82.6(3) . . . . ?
C34 C35 C36 C31 -1.4(9) . . . . ?
Ru1 C35 C36 C31 -52.5(5) . . . . ?
C34 C35 C36 Ru1 51.1(5) . . . . ?
C32 C31 C36 C35 -2.3(8) . . . . ?
C37 C31 C36 C35 179.3(5) . . . . ?
Ru1 C31 C36 C35 53.6(5) . . . . ?
C32 C31 C36 Ru1 -56.0(5) . . . . ?
C37 C31 C36 Ru1 125.6(5) . . . . ?
C33 Ru1 C36 C35 -65.0(4) . . . . ?
C32 Ru1 C36 C35 -102.7(4) . . . . ?
C31 Ru1 C36 C35 -133.6(5) . . . . ?
C34 Ru1 C36 C35 -27.7(3) . . . . ?
P1 Ru1 C36 C35 -138.8(3) . . . . ?
Cl1 Ru1 C36 C35 132.7(3) . . . . ?
Cl2 Ru1 C36 C35 45.3(4) . . . . ?
C33 Ru1 C36 C31 68.7(4) . . . . ?
C32 Ru1 C36 C31 31.0(3) . . . . ?
C34 Ru1 C36 C31 105.9(4) . . . . ?
C35 Ru1 C36 C31 133.6(5) . . . . ?
P1 Ru1 C36 C31 -5.1(6) . . . . ?
Cl1 Ru1 C36 C31 -93.6(3) . . . . ?
Cl2 Ru1 C36 C31 178.9(3) . . . . ?
C33 C34 C38 C39 -23.8(9) . . . . ?
C35 C34 C38 C39 159.3(6) . . . . ?
Ru1 C34 C38 C39 66.9(8) . . . . ?
C33 C34 C38 C40 101.6(7) . . . . ?
C35 C34 C38 C40 -75.3(7) . . . . ?
Ru1 C34 C38 C40 -167.7(5) . . . . ?
C45 Ru2 C41 C46 -29.1(3) . . . . ?
C44 Ru2 C41 C46 -65.5(4) . . . . ?
C42 Ru2 C41 C46 -128.4(5) . . . . ?
C43 Ru2 C41 C46 -101.5(4) . . . . ?
P2 Ru2 C41 C46 56.2(4) . . . . ?
Cl3 Ru2 C41 C46 138.9(3) . . . . ?
Cl4 Ru2 C41 C46 -140.5(4) . . . . ?
C46 Ru2 C41 C42 128.4(5) . . . . ?
C45 Ru2 C41 C42 99.3(4) . . . . ?
C44 Ru2 C41 C42 62.9(4) . . . . ?
C43 Ru2 C41 C42 26.9(3) . . . . ?
P2 Ru2 C41 C42 -175.4(3) . . . . ?
Cl3 Ru2 C41 C42 -92.8(3) . . . . ?
Cl4 Ru2 C41 C42 -12.1(7) . . . . ?
C46 Ru2 C41 C47 -115.6(7) . . . . ?
C45 Ru2 C41 C47 -144.6(6) . . . . ?
C44 Ru2 C41 C47 178.9(6) . . . . ?
C42 Ru2 C41 C47 116.0(7) . . . . ?
C43 Ru2 C41 C47 142.9(6) . . . . ?
P2 Ru2 C41 C47 -59.4(6) . . . . ?
Cl3 Ru2 C41 C47 23.3(5) . . . . ?
Cl4 Ru2 C41 C47 103.9(6) . . . . ?
C46 C41 C42 C43 3.6(8) . . . . ?
C47 C41 C42 C43 -177.2(5) . . . . ?
Ru2 C41 C42 C43 -53.1(5) . . . . ?
C46 C41 C42 Ru2 56.8(4) . . . . ?
C47 C41 C42 Ru2 -124.0(5) . . . . ?
C46 Ru2 C42 C43 103.1(4) . . . . ?
C45 Ru2 C42 C43 65.2(4) . . . . ?
C41 Ru2 C42 C43 134.5(5) . . . . ?
C44 Ru2 C42 C43 28.1(3) . . . . ?
P2 Ru2 C42 C43 143.3(3) . . . . ?
Cl3 Ru2 C42 C43 -137.7(3) . . . . ?
Cl4 Ru2 C42 C43 -50.9(4) . . . . ?
C46 Ru2 C42 C41 -31.4(4) . . . . ?
C45 Ru2 C42 C41 -69.3(4) . . . . ?
C44 Ru2 C42 C41 -106.4(4) . . . . ?
C43 Ru2 C42 C41 -134.5(5) . . . . ?
P2 Ru2 C42 C41 8.8(6) . . . . ?
Cl3 Ru2 C42 C41 87.7(3) . . . . ?
Cl4 Ru2 C42 C41 174.6(3) . . . . ?
C41 C42 C43 C44 0.1(8) . . . . ?
Ru2 C42 C43 C44 -51.3(5) . . . . ?
C41 C42 C43 Ru2 51.4(5) . . . . ?
C46 Ru2 C43 C42 -65.7(4) . . . . ?
C45 Ru2 C43 C42 -103.5(4) . . . . ?
C41 Ru2 C43 C42 -28.1(3) . . . . ?
C44 Ru2 C43 C42 -134.4(5) . . . . ?
P2 Ru2 C43 C42 -125.6(4) . . . . ?
Cl3 Ru2 C43 C42 48.9(4) . . . . ?
Cl4 Ru2 C43 C42 137.7(3) . . . . ?
C46 Ru2 C43 C44 68.7(4) . . . . ?
C45 Ru2 C43 C44 30.9(3) . . . . ?
C41 Ru2 C43 C44 106.3(4) . . . . ?
C42 Ru2 C43 C44 134.4(5) . . . . ?
P2 Ru2 C43 C44 8.8(7) . . . . ?
Cl3 Ru2 C43 C44 -176.7(3) . . . . ?
Cl4 Ru2 C43 C44 -87.8(3) . . . . ?
C42 C43 C44 C45 -3.4(8) . . . . ?
Ru2 C43 C44 C45 -55.5(4) . . . . ?
C42 C43 C44 C48 -175.5(5) . . . . ?
Ru2 C43 C44 C48 132.4(5) . . . . ?
C42 C43 C44 Ru2 52.1(5) . . . . ?
C46 Ru2 C44 C45 29.1(3) . . . . ?
C41 Ru2 C44 C45 65.9(4) . . . . ?
C42 Ru2 C44 C45 102.0(4) . . . . ?
C43 Ru2 C44 C45 128.9(5) . . . . ?
P2 Ru2 C44 C45 -47.5(4) . . . . ?
Cl3 Ru2 C44 C45 135.7(3) . . . . ?
Cl4 Ru2 C44 C45 -136.1(3) . . . . ?
C46 Ru2 C44 C43 -99.8(4) . . . . ?
C45 Ru2 C44 C43 -128.9(5) . . . . ?
C41 Ru2 C44 C43 -63.0(4) . . . . ?
C42 Ru2 C44 C43 -27.0(3) . . . . ?
P2 Ru2 C44 C43 -176.4(3) . . . . ?
Cl3 Ru2 C44 C43 6.8(6) . . . . ?
Cl4 Ru2 C44 C43 95.0(3) . . . . ?
C46 Ru2 C44 C48 143.6(7) . . . . ?
C45 Ru2 C44 C48 114.5(7) . . . . ?
C41 Ru2 C44 C48 -179.6(6) . . . . ?
C42 Ru2 C44 C48 -143.5(7) . . . . ?
C43 Ru2 C44 C48 -116.6(7) . . . . ?
P2 Ru2 C44 C48 67.1(6) . . . . ?
Cl3 Ru2 C44 C48 -109.8(6) . . . . ?
Cl4 Ru2 C44 C48 -21.5(6) . . . . ?
C43 C44 C45 C46 2.9(8) . . . . ?
C48 C44 C45 C46 175.0(5) . . . . ?
Ru2 C44 C45 C46 -54.2(5) . . . . ?
C43 C44 C45 Ru2 57.1(4) . . . . ?
C48 C44 C45 Ru2 -130.8(5) . . . . ?
C46 Ru2 C45 C44 -132.7(5) . . . . ?
C41 Ru2 C45 C44 -103.8(4) . . . . ?
C42 Ru2 C45 C44 -66.2(4) . . . . ?
C43 Ru2 C45 C44 -31.0(3) . . . . ?
P2 Ru2 C45 C44 141.5(3) . . . . ?
Cl3 Ru2 C45 C44 -133.5(4) . . . . ?
Cl4 Ru2 C45 C44 52.0(4) . . . . ?
C41 Ru2 C45 C46 28.9(3) . . . . ?
C44 Ru2 C45 C46 132.7(5) . . . . ?
C42 Ru2 C45 C46 66.5(3) . . . . ?
C43 Ru2 C45 C46 101.7(4) . . . . ?
P2 Ru2 C45 C46 -85.8(3) . . . . ?
Cl3 Ru2 C45 C46 -0.8(6) . . . . ?
Cl4 Ru2 C45 C46 -175.3(3) . . . . ?
C42 C41 C46 C45 -4.1(8) . . . . ?
C47 C41 C46 C45 176.7(5) . . . . ?
Ru2 C41 C46 C45 54.2(5) . . . . ?
C42 C41 C46 Ru2 -58.3(4) . . . . ?
C47 C41 C46 Ru2 122.5(5) . . . . ?
C44 C45 C46 C41 0.8(8) . . . . ?
Ru2 C45 C46 C41 -54.4(5) . . . . ?
C44 C45 C46 Ru2 55.2(5) . . . . ?
C45 Ru2 C46 C41 132.7(5) . . . . ?
C44 Ru2 C46 C41 104.0(4) . . . . ?
C42 Ru2 C46 C41 31.2(3) . . . . ?
C43 Ru2 C46 C41 66.6(4) . . . . ?
P2 Ru2 C46 C41 -131.0(3) . . . . ?
Cl3 Ru2 C46 C41 -47.7(4) . . . . ?
Cl4 Ru2 C46 C41 142.9(4) . . . . ?
C41 Ru2 C46 C45 -132.7(5) . . . . ?
C44 Ru2 C46 C45 -28.6(3) . . . . ?
C42 Ru2 C46 C45 -101.5(4) . . . . ?
C43 Ru2 C46 C45 -66.1(3) . . . . ?
P2 Ru2 C46 C45 96.4(3) . . . . ?
Cl3 Ru2 C46 C45 179.6(3) . . . . ?
Cl4 Ru2 C46 C45 10.2(6) . . . . ?
C45 C44 C48 C49 159.8(5) . . . . ?
C43 C44 C48 C49 -28.3(8) . . . . ?
Ru2 C44 C48 C49 67.9(8) . . . . ?
C45 C44 C48 C50 -78.5(7) . . . . ?
C43 C44 C48 C50 93.3(7) . . . . ?
Ru2 C44 C48 C50 -170.4(5) . . . . ?
C7S C4S C5S O1S 0.1(10) . . . . ?
Cl8S C4S C5S O1S 114.2(10) 2_765 . . . ?
Cl8S C4S C5S C7S 114.1(9) 2_765 . . . ?
C7S C4S C5S O2S 8.2(8) . . . . ?
Cl8S C4S C5S O2S 122.3(7) 2_765 . . . ?
C4S C5S O1S O2S 28.4(19) . . . . ?
C7S C5S O1S O2S 28.5(15) . . . . ?
C4S C5S O1S C6S 26.3(19) . . . . ?
C7S C5S O1S C6S 26.4(15) . . . . ?
O2S C5S O1S C6S -2.1(13) . . . . ?
C4S C5S O1S C7S -0.1(10) . . . . ?
O2S C5S O1S C7S -28.5(15) . . . . ?
Cl10 C3S Cl8S C4S 172.7(11) . . . 2_765 ?
Cl12 C3S Cl8S C4S -57.3(17) . . . 2_765 ?
Cl7S C3S Cl8S C4S 155.1(12) . . . 2_765 ?
Cl9S C3S Cl8S C4S -59.4(18) . . . 2_765 ?
Cl11 C3S Cl8S C4S -142.2(19) . . . 2_765 ?
C5S O1S O2S C6S -175(3) . . . . ?
C7S O1S O2S C6S -142(4) . . . . ?
C6S O1S O2S C7S 142(4) . . . . ?
C5S O1S O2S C7S -33.0(17) . . . . ?
C6S O1S O2S C7S 75(3) . . . 2_765 ?
C5S O1S O2S C7S -100.2(14) . . . 2_765 ?
C7S O1S O2S C7S -67.2(13) . . . 2_765 ?
C6S O1S O2S C5S 175(3) . . . . ?
C7S O1S O2S C5S 33.0(17) . . . . ?
C4S C5S O2S O1S -153.7(17) . . . . ?
C7S C5S O2S O1S -143.6(19) . . . . ?
O1S C5S O2S C6S 164(10) . . . . ?
C4S C5S O2S C6S 10(9) . . . . ?
C7S C5S O2S C6S 20(9) . . . . ?
O1S C5S O2S C7S 143.6(19) . . . . ?
C4S C5S O2S C7S -10.0(10) . . . . ?
O1S C5S O2S C7S 87.7(16) . . . 2_765 ?
C4S C5S O2S C7S -66.0(10) . . . 2_765 ?
C7S C5S O2S C7S -55.9(13) . . . 2_765 ?
C6S O2S C7S O1S 160(2) . . . . ?
C7S O2S C7S O1S 95.1(15) 2_765 . . . ?
C5S O2S C7S O1S -23.0(13) . . . . ?
O1S O2S C7S C4S 38(2) . . . . ?
C6S O2S C7S C4S -162.0(18) . . . . ?
C7S O2S C7S C4S 133(2) 2_765 . . . ?
C5S O2S C7S C4S 14.7(15) . . . . ?
O1S O2S C7S C6S -67.9(17) . . . 2_765 ?
C6S O2S C7S C6S 92.3(18) . . . 2_765 ?
C7S O2S C7S C6S 27.2(7) 2_765 . . 2_765 ?
C5S O2S C7S C6S -91.0(14) . . . 2_765 ?
O1S O2S C7S C6S -160(2) . . . . ?
C7S O2S C7S C6S -65.1(16) 2_765 . . . ?
C5S O2S C7S C6S 176.7(15) . . . . ?
O1S O2S C7S C7S -95.1(15) . . . 2_765 ?
C6S O2S C7S C7S 65.1(16) . . . 2_765 ?
C5S O2S C7S C7S -118.1(13) . . . 2_765 ?
O1S O2S C7S O2S -95.1(15) . . . 2_765 ?
C6S O2S C7S O2S 65.1(16) . . . 2_765 ?
C7S O2S C7S O2S 0.000(1) 2_765 . . 2_765 ?
C5S O2S C7S O2S -118.1(13) . . . 2_765 ?
O1S O2S C7S C5S 23.0(12) . . . . ?
C6S O2S C7S C5S -176.7(15) . . . . ?
C7S O2S C7S C5S 118.1(13) 2_765 . . . ?
C6S O1S C7S O2S -11.0(12) . . . . ?
C5S O1S C7S O2S 151.1(16) . . . . ?
O2S O1S C7S C4S -151.0(18) . . . . ?
C6S O1S C7S C4S -162.0(13) . . . . ?
C5S O1S C7S C4S 0.1(11) . . . . ?
O2S O1S C7S C6S 123.0(16) . . . 2_765 ?
C6S O1S C7S C6S 112.0(12) . . . 2_765 ?
C5S O1S C7S C6S -85.9(12) . . . 2_765 ?
O2S O1S C7S C6S 11.0(12) . . . . ?
C5S O1S C7S C6S 162.1(10) . . . . ?
O2S O1S C7S C7S 76.0(15) . . . 2_765 ?
C6S O1S C7S C7S 65.0(11) . . . 2_765 ?
C5S O1S C7S C7S -132.9(13) . . . 2_765 ?
O2S O1S C7S O2S 95.7(15) . . . 2_765 ?
C6S O1S C7S O2S 84.7(11) . . . 2_765 ?
C5S O1S C7S O2S -113.2(13) . . . 2_765 ?
O2S O1S C7S C5S -151.1(16) . . . . ?
C6S O1S C7S C5S -162.1(10) . . . . ?
C5S C4S C7S O2S -15.9(16) . . . . ?
Cl8S C4S C7S O2S -86.0(18) 2_765 . . . ?
C5S C4S C7S O1S -0.1(9) . . . . ?
Cl8S C4S C7S O1S -70.2(12) 2_765 . . . ?
C5S C4S C7S C6S 107.9(9) . . . 2_765 ?
Cl8S C4S C7S C6S 37.8(9) 2_765 . . 2_765 ?
C5S C4S C7S C6S -35(3) . . . . ?
Cl8S C4S C7S C6S -105(3) 2_765 . . . ?
C5S C4S C7S C7S 87(2) . . . 2_765 ?
Cl8S C4S C7S C7S 17(3) 2_765 . . 2_765 ?
C5S C4S C7S O2S 121.0(11) . . . 2_765 ?
Cl8S C4S C7S O2S 51.0(10) 2_765 . . 2_765 ?
Cl8S C4S C7S C5S -70.1(8) 2_765 . . . ?
O1S C5S C7S O2S -12.0(6) . . . . ?
C4S C5S C7S O2S 167.9(12) . . . . ?
C4S C5S C7S O1S 179.9(11) . . . . ?
O2S C5S C7S O1S 12.0(6) . . . . ?
O1S C5S C7S C4S -179.9(11) . . . . ?
O2S C5S C7S C4S -167.9(12) . . . . ?
O1S C5S C7S C6S 108.7(11) . . . 2_765 ?
C4S C5S C7S C6S -71.3(10) . . . 2_765 ?
O2S C5S C7S C6S 120.8(13) . . . 2_765 ?
O1S C5S C7S C6S -13.5(8) . . . . ?
C4S C5S C7S C6S 166.5(12) . . . . ?
O2S C5S C7S C6S -1.4(6) . . . . ?
O1S C5S C7S C7S 47.0(14) . . . 2_765 ?
C4S C5S C7S C7S -133.1(18) . . . 2_765 ?
O2S C5S C7S C7S 59.0(13) . . . 2_765 ?
O1S C5S C7S O2S 95.3(14) . . . 2_765 ?
C4S C5S C7S O2S -84.8(13) . . . 2_765 ?
O2S C5S C7S O2S 107.4(15) . . . 2_765 ?
C7S O2S C6S O1S -141(4) . . . . ?
C7S O2S C6S O1S -82(3) 2_765 . . . ?
C5S O2S C6S O1S -160(12) . . . . ?
O1S O2S C6S C7S 82(3) . . . 2_765 ?
C7S O2S C6S C7S -59.3(14) . . . 2_765 ?
C5S O2S C6S C7S -78(9) . . . 2_765 ?
O1S O2S C6S C7S 141(4) . . . . ?
C7S O2S C6S C7S 59.3(14) 2_765 . . . ?
C5S O2S C6S C7S -19(8) . . . . ?
C5S O1S C6S O2S 6(4) . . . . ?
C7S O1S C6S O2S 33(3) . . . . ?
O2S O1S C6S C7S -95(4) . . . 2_765 ?
C5S O1S C6S C7S -89.2(15) . . . 2_765 ?
C7S O1S C6S C7S -62.5(12) . . . 2_765 ?
O2S O1S C6S C7S -33(3) . . . . ?
C5S O1S C6S C7S -26.7(15) . . . . ?
O1S C7S C6S O2S -10.7(12) . . . . ?
C4S C7S C6S O2S 34(3) . . . . ?
C6S C7S C6S O2S -103.0(18) 2_765 . . . ?
C7S C7S C6S O2S -103.0(18) 2_765 . . . ?
O2S C7S C6S O2S -122.0(16) 2_765 . . . ?
C5S C7S C6S O2S 3.2(14) . . . . ?
O2S C7S C6S O1S 10.7(12) . . . . ?
C4S C7S C6S O1S 44(3) . . . . ?
C6S C7S C6S O1S -92.3(12) 2_765 . . . ?
C7S C7S C6S O1S -92.3(12) 2_765 . . . ?
O2S C7S C6S O1S -111.3(10) 2_765 . . . ?
C5S C7S C6S O1S 13.9(8) . . . . ?
O2S C7S C6S C7S 103.0(18) . . . 2_765 ?
O1S C7S C6S C7S 92.3(12) . . . 2_765 ?
C4S C7S C6S C7S 137(4) . . . 2_765 ?
C6S C7S C6S C7S 0.000(2) 2_765 . . 2_765 ?
O2S C7S C6S C7S -19.0(6) 2_765 . . 2_765 ?
C5S C7S C6S C7S 106.1(14) . . . 2_765 ?
