#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:04:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178593 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/04/4070463.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_4070463
loop_
_publ_author_name
'van Rijn, Jimmy A.'
'Siegler, Maxime A.'
'Spek, Anthony L.'
'Bouwman, Elisabeth'
'Drent, Eite'
_publ_section_title
;
 Ruthenium-Diphosphine-Catalyzed Allylation of Phenols: Agem-Dialkyl-Type
 Effect Induces High Selectivity toward O-Allylation
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              7006
_journal_paper_doi               10.1021/om900832g
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C32 H31 Cl P2 Ru'
_chemical_formula_sum            'C32 H31 Cl P2 Ru'
_chemical_formula_weight         614.03
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.551(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.5137(1)
_cell_length_b                   11.2169(3)
_cell_length_c                   30.1980(15)
_cell_measurement_reflns_used    24464
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.55
_cell_volume                     5750.0(4)
_computing_cell_refinement       'PEAKREF (Schreurs, 2005)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'EVALCCD (Duisenberg et al., 2003)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            67490
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.769
_exptl_absorpt_correction_T_max  0.925
_exptl_absorpt_correction_T_min  0.727
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2006/1)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         0.526
_refine_diff_density_min         -0.516
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     731
_refine_ls_number_reflns         13221
_refine_ls_number_restraints     256
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0318P)²+4.4028P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0761
_reflns_number_gt                10346
_reflns_number_total             13221
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om900832g_si_001.cif
_cod_data_source_block           e
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4070463
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.330175(10) -0.027029(16) 0.077259(6) 0.02017(5) Uani 1 1 d . . .
Cl21 Cl 0.38282(3) -0.22270(5) 0.11121(2) 0.02894(13) Uani 1 1 d . . .
P31 P 0.25973(3) -0.02508(6) 0.11944(2) 0.02537(13) Uani 1 1 d D A .
P71 P 0.40127(3) 0.07080(5) 0.15181(2) 0.02107(12) Uani 1 1 d D A .
C41 C 0.34209(13) 0.0276(2) 0.18334(8) 0.0253(5) Uani 1 1 d . . .
C111 C 0.18057(17) 0.0880(3) 0.10418(12) 0.0274(8) Uani 0.720(3) 1 d PDU A 1
C121 C 0.1385(2) 0.0923(3) 0.13049(13) 0.0287(8) Uani 0.720(3) 1 d PDU A 1
H121 H 0.1500 0.0366 0.1569 0.034 Uiso 0.720(3) 1 calc PR A 1
C131 C 0.0803(2) 0.1766(4) 0.11856(16) 0.0358(10) Uani 0.720(3) 1 d PDU A 1
H131 H 0.0525 0.1780 0.1369 0.043 Uiso 0.720(3) 1 calc PR A 1
C141 C 0.0623(2) 0.2577(4) 0.08085(17) 0.0668(15) Uani 0.720(3) 1 d PDU A 1
H141 H 0.0222 0.3152 0.0729 0.080 Uiso 0.720(3) 1 calc PR A 1
C151 C 0.1027(3) 0.2554(4) 0.05463(18) 0.099(2) Uani 0.720(3) 1 d PDU A 1
H151 H 0.0907 0.3119 0.0283 0.119 Uiso 0.720(3) 1 calc PR A 1
C161 C 0.1613(2) 0.1712(4) 0.06610(15) 0.0713(17) Uani 0.720(3) 1 d PDU A 1
H161 H 0.1886 0.1707 0.0474 0.086 Uiso 0.720(3) 1 calc PR A 1
C11' C 0.1606(4) 0.0379(7) 0.0892(3) 0.0274(8) Uani 0.280(3) 1 d PDU A 2
C12' C 0.1360(6) 0.1125(7) 0.1153(4) 0.0287(8) Uani 0.280(3) 1 d PDU A 2
H12' H 0.1709 0.1315 0.1500 0.034 Uiso 0.280(3) 1 calc PR A 2
C13' C 0.0602(6) 0.1595(9) 0.0905(4) 0.051(3) Uani 0.280(3) 1 d PDU A 2
H13' H 0.0431 0.2106 0.1082 0.061 Uiso 0.280(3) 1 calc PR A 2
C14' C 0.0109(5) 0.1320(9) 0.0410(4) 0.070(4) Uani 0.280(3) 1 d PDU A 2
H14' H -0.0408 0.1643 0.0241 0.083 Uiso 0.280(3) 1 calc PR A 2
C15' C 0.0344(5) 0.0588(9) 0.0151(4) 0.069(4) Uani 0.280(3) 1 d PDU . 2
H15' H -0.0009 0.0402 -0.0195 0.083 Uiso 0.280(3) 1 calc PR A 2
C16' C 0.1097(5) 0.0113(8) 0.0391(3) 0.055(3) Uani 0.280(3) 1 d PDU A 2
H16' H 0.1261 -0.0397 0.0210 0.066 Uiso 0.280(3) 1 calc PR A 2
C211 C 0.21914(13) -0.1632(2) 0.12886(9) 0.0293(5) Uani 1 1 d . . .
C221 C 0.19971(16) -0.2503(3) 0.09253(10) 0.0429(7) Uani 1 1 d . B .
H221 H 0.2088 -0.2371 0.0648 0.051 Uiso 1 1 calc R . .
C231 C 0.16704(16) -0.3571(3) 0.09602(11) 0.0461(7) Uani 1 1 d . . .
H231 H 0.1530 -0.4160 0.0703 0.055 Uiso 1 1 calc R B .
C241 C 0.15475(14) -0.3786(3) 0.13640(10) 0.0369(6) Uani 1 1 d . B .
H241 H 0.1331 -0.4524 0.1390 0.044 Uiso 1 1 calc R . .
C251 C 0.17407(14) -0.2923(2) 0.17301(10) 0.0349(6) Uani 1 1 d . . .
H251 H 0.1659 -0.3066 0.2011 0.042 Uiso 1 1 calc R B .
C261 C 0.20526(14) -0.1853(2) 0.16910(9) 0.0301(5) Uani 1 1 d . B .
H261 H 0.2175 -0.1256 0.1943 0.036 Uiso 1 1 calc R . .
C311 C 0.50375(13) 0.0411(2) 0.19869(8) 0.0250(5) Uani 1 1 d . . .
C321 C 0.54346(15) 0.1071(2) 0.24359(9) 0.0327(6) Uani 1 1 d . B .
H321 H 0.5172 0.1708 0.2498 0.039 Uiso 1 1 calc R . .
C331 C 0.62054(16) 0.0809(2) 0.27909(9) 0.0372(6) Uani 1 1 d . . .
H331 H 0.6472 0.1266 0.3094 0.045 Uiso 1 1 calc R B .
C341 C 0.65854(15) -0.0113(2) 0.27036(10) 0.0373(6) Uani 1 1 d . B .
H341 H 0.7116 -0.0292 0.2947 0.045 Uiso 1 1 calc R . .
C351 C 0.62023(14) -0.0782(2) 0.22656(9) 0.0321(6) Uani 1 1 d . . .
H351 H 0.6468 -0.1423 0.2209 0.039 Uiso 1 1 calc R B .
C361 C 0.54251(14) -0.0520(2) 0.19050(9) 0.0262(5) Uani 1 1 d . B .
H361 H 0.5162 -0.0982 0.1603 0.031 Uiso 1 1 calc R . .
C411 C 0.4096(2) 0.2323(3) 0.14540(16) 0.0225(10) Uani 0.655(4) 1 d PDU A 1
C421 C 0.4762(3) 0.2810(4) 0.14869(16) 0.0504(15) Uani 0.655(4) 1 d PDU A 1
H421 H 0.5218 0.2329 0.1598 0.061 Uiso 0.655(4) 1 calc PR A 1
C431 C 0.4783(3) 0.3999(4) 0.13608(16) 0.072(2) Uani 0.655(4) 1 d PDU A 1
H431 H 0.5252 0.4319 0.1387 0.087 Uiso 0.655(4) 1 calc PR A 1
C441 C 0.4137(4) 0.4702(4) 0.12005(16) 0.0629(17) Uani 0.655(4) 1 d PDU A 1
H441 H 0.4152 0.5511 0.1113 0.076 Uiso 0.655(4) 1 calc PR A 1
C451 C 0.3484(4) 0.4252(4) 0.11667(17) 0.0509(14) Uani 0.655(4) 1 d PDU A 1
H451 H 0.3034 0.4747 0.1056 0.061 Uiso 0.655(4) 1 calc PR A 1
C461 C 0.3448(3) 0.3070(4) 0.12900(16) 0.0395(11) Uani 0.655(4) 1 d PDU A 1
H461 H 0.2974 0.2768 0.1262 0.047 Uiso 0.655(4) 1 calc PR A 1
C41' C 0.3828(5) 0.2301(6) 0.1413(3) 0.0225(10) Uani 0.345(4) 1 d PDU A 2
C42' C 0.4454(5) 0.3035(7) 0.1544(4) 0.0504(15) Uani 0.345(4) 1 d PDU A 2
H42' H 0.4975 0.2727 0.1722 0.061 Uiso 0.345(4) 1 calc PR A 2
C43' C 0.4330(6) 0.4242(8) 0.1418(4) 0.072(2) Uani 0.345(4) 1 d PDU A 2
H43' H 0.4766 0.4758 0.1509 0.087 Uiso 0.345(4) 1 calc PR A 2
C44' C 0.3581(7) 0.4674(8) 0.1164(3) 0.0629(17) Uani 0.345(4) 1 d PDU A 2
H44' H 0.3496 0.5496 0.1079 0.076 Uiso 0.345(4) 1 calc PR A 2
C45' C 0.2961(6) 0.3951(7) 0.1034(3) 0.0509(14) Uani 0.345(4) 1 d PDU A 2
H45' H 0.2442 0.4265 0.0856 0.061 Uiso 0.345(4) 1 calc PR A 2
C46' C 0.3074(5) 0.2754(7) 0.1156(3) 0.0395(11) Uani 0.345(4) 1 d PDU A 2
H46' H 0.2634 0.2245 0.1064 0.047 Uiso 0.345(4) 1 calc PR A 2
C511 C 0.3461(6) -0.0704(7) 0.0106(2) 0.0473(16) Uani 0.721(11) 1 d PDU B 1
H511 H 0.3740 -0.1384 0.0093 0.057 Uiso 0.721(11) 1 calc PR B 1
C521 C 0.2645(5) -0.0664(4) -0.00684(14) 0.0377(12) Uani 0.721(11) 1 d PDU B 1
H521 H 0.2278 -0.1297 -0.0219 0.045 Uiso 0.721(11) 1 calc PR B 1
C531 C 0.2487(3) 0.0497(5) 0.00249(19) 0.0332(11) Uani 0.721(11) 1 d PDU B 1
H531 H 0.1982 0.0789 -0.0054 0.040 Uiso 0.721(11) 1 calc PR B 1
C541 C 0.3181(4) 0.1161(4) 0.02504(17) 0.0354(12) Uani 0.721(11) 1 d PDU B 1
H541 H 0.3233 0.1973 0.0352 0.042 Uiso 0.721(11) 1 calc PR B 1
C551 C 0.3794(3) 0.0402(9) 0.02998(19) 0.0464(15) Uani 0.721(11) 1 d PDU B 1
H551 H 0.4334 0.0609 0.0440 0.056 Uiso 0.721(11) 1 calc PR B 1
C51' C 0.2923(12) 0.1113(15) 0.0206(6) 0.0473(16) Uani 0.279(11) 1 d PDU B 2
H51' H 0.2725 0.1852 0.0249 0.057 Uiso 0.279(11) 1 calc PR B 2
C52' C 0.3725(10) 0.0861(14) 0.0373(4) 0.0377(12) Uani 0.279(11) 1 d PDU B 2
H52' H 0.4158 0.1391 0.0544 0.045 Uiso 0.279(11) 1 calc PR B 2
C53' C 0.3754(9) -0.0310(15) 0.0235(5) 0.0332(11) Uani 0.279(11) 1 d PDU B 2
H53' H 0.4218 -0.0726 0.0298 0.040 Uiso 0.279(11) 1 calc PR B 2
C54' C 0.2988(13) -0.0783(12) -0.0011(5) 0.0354(12) Uani 0.279(11) 1 d PDU B 2
H54' H 0.2845 -0.1567 -0.0144 0.042 Uiso 0.279(11) 1 calc PR B 2
C55' C 0.2472(8) 0.011(2) -0.0028(5) 0.0464(15) Uani 0.279(11) 1 d PDU B 2
H55' H 0.1917 0.0040 -0.0173 0.056 Uiso 0.279(11) 1 calc PR B 2
C611 C 0.32738(16) 0.1219(2) 0.21406(9) 0.0368(6) Uani 1 1 d . B .
H61A H 0.2966 0.0869 0.2285 0.055 Uiso 1 1 calc R . .
H61B H 0.2981 0.1886 0.1918 0.055 Uiso 1 1 calc R . .
H61C H 0.3779 0.1506 0.2417 0.055 Uiso 1 1 calc R . .
C631 C 0.38346(14) -0.0801(2) 0.21752(9) 0.0309(5) Uani 1 1 d . B .
H63A H 0.4338 -0.0547 0.2464 0.046 Uiso 1 1 calc R . .
H63B H 0.3931 -0.1408 0.1979 0.046 Uiso 1 1 calc R . .
H63C H 0.3500 -0.1137 0.2301 0.046 Uiso 1 1 calc R . .
Ru2 Ru 0.160690(10) -0.035504(15) 0.411781(6) 0.01947(5) Uani 1 1 d . . .
Cl22 Cl 0.11133(3) -0.23410(5) 0.37704(2) 0.02441(12) Uani 1 1 d . . .
P32 P 0.22390(3) -0.01623(5) 0.36600(2) 0.02020(12) Uani 1 1 d . . .
P72 P 0.08058(3) 0.06461(5) 0.33895(2) 0.01970(12) Uani 1 1 d . . .
C42 C 0.13581(13) 0.03085(19) 0.30351(8) 0.0222(5) Uani 1 1 d . . .
C112 C 0.29543(14) 0.1044(2) 0.38060(9) 0.0260(5) Uani 1 1 d . . .
C122 C 0.35307(15) 0.1026(2) 0.36624(10) 0.0364(6) Uani 1 1 d . . .
H122 H 0.3597 0.0332 0.3507 0.044 Uiso 1 1 calc R . .
C132 C 0.40084(17) 0.2005(3) 0.37430(12) 0.0466(7) Uani 1 1 d . . .
H132 H 0.4404 0.1976 0.3647 0.056 Uiso 1 1 calc R . .
C142 C 0.39130(19) 0.3022(3) 0.39617(12) 0.0517(8) Uani 1 1 d . . .
H142 H 0.4236 0.3699 0.4011 0.062 Uiso 1 1 calc R . .
C152 C 0.33465(19) 0.3056(2) 0.41095(11) 0.0473(8) Uani 1 1 d . . .
H152 H 0.3277 0.3757 0.4260 0.057 Uiso 1 1 calc R . .
C162 C 0.28819(16) 0.2066(2) 0.40384(10) 0.0355(6) Uani 1 1 d . . .
H162 H 0.2505 0.2086 0.4151 0.043 Uiso 1 1 calc R . .
C212 C 0.27149(13) -0.14515(19) 0.35609(8) 0.0227(5) Uani 1 1 d . . .
C222 C 0.29656(14) -0.2337(2) 0.39291(9) 0.0273(5) Uani 1 1 d . . .
H222 H 0.2869 -0.2258 0.4207 0.033 Uiso 1 1 calc R . .
C232 C 0.33540(15) -0.3332(2) 0.38953(10) 0.0337(6) Uani 1 1 d . . .
H232 H 0.3530 -0.3928 0.4152 0.040 Uiso 1 1 calc R . .
C242 C 0.34862(15) -0.3464(2) 0.34905(10) 0.0349(6) Uani 1 1 d . . .
H242 H 0.3757 -0.4146 0.3469 0.042 Uiso 1 1 calc R . .
C252 C 0.32240(15) -0.2603(2) 0.31147(10) 0.0332(6) Uani 1 1 d . . .
H252 H 0.3305 -0.2701 0.2832 0.040 Uiso 1 1 calc R . .
C262 C 0.28446(14) -0.1602(2) 0.31508(9) 0.0283(5) Uani 1 1 d . . .
H262 H 0.2670 -0.1009 0.2893 0.034 Uiso 1 1 calc R . .
C312 C -0.02303(13) 0.02905(19) 0.29573(8) 0.0231(5) Uani 1 1 d . . .
C322 C -0.06695(14) 0.0973(2) 0.25229(9) 0.0273(5) Uani 1 1 d . . .
H322 H -0.0425 0.1607 0.2444 0.033 Uiso 1 1 calc R . .
C332 C -0.14577(14) 0.0735(2) 0.22065(9) 0.0303(5) Uani 1 1 d . . .
H332 H -0.1756 0.1204 0.1910 0.036 Uiso 1 1 calc R . .
C342 C -0.18128(14) -0.0185(2) 0.23207(9) 0.0314(6) Uani 1 1 d . . .
H342 H -0.2356 -0.0347 0.2103 0.038 Uiso 1 1 calc R . .
C352 C -0.13814(14) -0.0871(2) 0.27505(9) 0.0304(5) Uani 1 1 d . . .
H352 H -0.1629 -0.1502 0.2828 0.037 Uiso 1 1 calc R . .
C362 C -0.05853(14) -0.0640(2) 0.30698(9) 0.0265(5) Uani 1 1 d . . .
H362 H -0.0287 -0.1117 0.3363 0.032 Uiso 1 1 calc R . .
C412 C 0.07063(13) 0.22327(19) 0.34974(8) 0.0230(5) Uani 1 1 d . . .
C422 C 0.02107(14) 0.2440(2) 0.36965(10) 0.0313(6) Uani 1 1 d . . .
H422 H -0.0087 0.1800 0.3721 0.038 Uiso 1 1 calc R . .
C432 C 0.01426(15) 0.3566(2) 0.38602(10) 0.0385(6) Uani 1 1 d . . .
H432 H -0.0204 0.3694 0.3992 0.046 Uiso 1 1 calc R . .
C442 C 0.05753(16) 0.4496(2) 0.38320(10) 0.0355(6) Uani 1 1 d . . .
H442 H 0.0543 0.5264 0.3954 0.043 Uiso 1 1 calc R . .
C452 C 0.10526(17) 0.4309(2) 0.36278(10) 0.0373(6) Uani 1 1 d . . .
H452 H 0.1346 0.4955 0.3603 0.045 Uiso 1 1 calc R . .
C462 C 0.11163(16) 0.3186(2) 0.34558(9) 0.0330(6) Uani 1 1 d . . .
H462 H 0.1444 0.3076 0.3309 0.040 Uiso 1 1 calc R . .
C512 C 0.15720(17) -0.0913(2) 0.48133(9) 0.0360(6) Uani 1 1 d . . .
H512 H 0.1330 -0.1630 0.4834 0.043 Uiso 1 1 calc R . .
C522 C 0.23674(15) -0.0807(2) 0.49391(9) 0.0325(6) Uani 1 1 d . . .
H522 H 0.2753 -0.1421 0.5064 0.039 Uiso 1 1 calc R . .
C532 C 0.24793(15) 0.0393(2) 0.48433(8) 0.0313(6) Uani 1 1 d . . .
H532 H 0.2958 0.0729 0.4891 0.038 Uiso 1 1 calc R . .
C542 C 0.17577(15) 0.1008(2) 0.46653(9) 0.0324(6) Uani 1 1 d . . .
H542 H 0.1666 0.1824 0.4570 0.039 Uiso 1 1 calc R . .
C552 C 0.11908(16) 0.0185(2) 0.46535(9) 0.0366(6) Uani 1 1 d . . .
H552 H 0.0657 0.0352 0.4556 0.044 Uiso 1 1 calc R . .
C612 C 0.14681(15) 0.1258(2) 0.27147(9) 0.0296(5) Uani 1 1 d . . .
H61D H 0.1729 0.0906 0.2540 0.044 Uiso 1 1 calc R . .
H61E H 0.1793 0.1907 0.2936 0.044 Uiso 1 1 calc R . .
H61F H 0.0953 0.1573 0.2463 0.044 Uiso 1 1 calc R . .
C632 C 0.09565(14) -0.0793(2) 0.27019(8) 0.0275(5) Uani 1 1 d . . .
H63D H 0.0445 -0.0562 0.2415 0.041 Uiso 1 1 calc R . .
H63E H 0.0879 -0.1400 0.2906 0.041 Uiso 1 1 calc R . .
H63F H 0.1290 -0.1116 0.2572 0.041 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'
Cl Cl 0.1484 0.1585 '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
C51' Ru1 C52' 38.2(3) . .
C51' Ru1 C541 12.1(5) . .
C52' Ru1 C541 26.4(4) . .
C51' Ru1 C55' 37.3(3) . .
C52' Ru1 C55' 63.2(4) . .
C541 Ru1 C55' 45.6(5) . .
C51' Ru1 C531 27.1(5) . .
C52' Ru1 C531 58.8(4) . .
C541 Ru1 C531 37.15(17) . .
C55' Ru1 C531 12.0(6) . .
C51' Ru1 C53' 62.2(3) . .
C52' Ru1 C53' 37.0(3) . .
C541 Ru1 C53' 54.6(3) . .
C55' Ru1 C53' 62.4(3) . .
C531 Ru1 C53' 66.4(3) . .
C51' Ru1 C54' 62.0(3) . .
C52' Ru1 C54' 62.4(3) . .
C541 Ru1 C54' 62.8(4) . .
C55' Ru1 C54' 37.2(3) . .
C531 Ru1 C54' 47.4(5) . .
C53' Ru1 C54' 37.2(3) . .
C51' Ru1 C551 47.9(4) . .
C52' Ru1 C551 15.7(3) . .
C541 Ru1 C551 37.60(19) . .
C55' Ru1 C551 62.6(4) . .
C531 Ru1 C551 61.80(16) . .
C53' Ru1 C551 21.3(3) . .
C54' Ru1 C551 51.3(3) . .
C51' Ru1 C511 65.6(4) . .
C52' Ru1 C511 50.8(3) . .
C541 Ru1 C511 61.47(15) . .
C55' Ru1 C511 53.4(4) . .
C531 Ru1 C511 60.76(17) . .
C53' Ru1 C511 17.5(3) . .
C54' Ru1 C511 21.1(4) . .
C551 Ru1 C511 36.39(18) . .
C51' Ru1 C521 57.6(5) . .
C52' Ru1 C521 69.5(3) . .
C541 Ru1 C521 62.02(16) . .
C55' Ru1 C521 24.9(5) . .
C531 Ru1 C521 36.63(16) . .
C53' Ru1 C521 51.4(3) . .
C54' Ru1 C521 15.9(4) . .
C551 Ru1 C521 61.67(16) . .
C511 Ru1 C521 36.58(17) . .
C51' Ru1 P71 104.1(5) . .
C52' Ru1 P71 93.2(3) . .
C541 Ru1 P71 99.04(13) . .
C55' Ru1 P71 139.6(7) . .
C531 Ru1 P71 127.63(17) . .
C53' Ru1 P71 118.2(5) . .
C54' Ru1 P71 154.5(4) . .
C551 Ru1 P71 103.2(2) . .
C511 Ru1 P71 135.4(3) . .
C521 Ru1 P71 161.03(11) . .
C51' Ru1 P31 111.7(4) . .
C52' Ru1 P31 143.1(5) . .
C541 Ru1 P31 121.01(19) . .
C55' Ru1 P31 107.0(4) . .
C531 Ru1 P31 103.83(13) . .
C53' Ru1 P31 169.0(4) . .
C54' Ru1 P31 132.4(5) . .
C551 Ru1 P31 158.1(3) . .
C511 Ru1 P31 153.0(3) . .
C521 Ru1 P31 117.7(2) . .
P71 Ru1 P31 71.54(2) . .
P31 Ru1 Cl21 91.08(2) . .
P71 Ru1 Cl21 95.41(2) . .
C211 P31 C11' 88.4(3) . .
C211 P31 C111 104.16(13) . .
C211 P31 C41 108.72(10) . .
C11' P31 C41 123.0(3) . .
C111 P31 C41 102.81(12) . .
C211 P31 Ru1 120.31(8) . .
C11' P31 Ru1 120.3(2) . .
C111 P31 Ru1 121.23(10) . .
C41 P31 Ru1 97.41(7) . .
C211 P31 P71 137.53(8) . .
C11' P31 P71 132.8(2) . .
C111 P31 P71 113.42(10) . .
C41 P31 P71 45.16(7) . .
Ru1 P31 P71 53.758(18) . .
C41' P71 C311 111.2(3) . .
C311 P71 C411 98.16(14) . .
C41' P71 C41 102.8(3) . .
C311 P71 C41 105.74(10) . .
C411 P71 C41 114.49(16) . .
C41' P71 Ru1 109.4(3) . .
C311 P71 Ru1 125.70(8) . .
C411 P71 Ru1 114.59(13) . .
C41 P71 Ru1 98.63(7) . .
C41' P71 P31 104.6(3) . .
C311 P71 P31 138.94(7) . .
C411 P71 P31 119.32(13) . .
C41 P71 P31 45.47(7) . .
Ru1 P71 P31 54.702(19) . .
C611 C41 C631 109.35(19) . .
C611 C41 P71 118.34(18) . .
C631 C41 P71 106.97(16) . .
C611 C41 P31 121.06(17) . .
C631 C41 P31 109.87(16) . .
P71 C41 P31 89.37(9) . .
C161 C111 C121 117.1(3) . .
C161 C111 P31 121.0(3) . .
C121 C111 P31 121.9(3) . .
C131 C121 C111 120.9(4) . .
C131 C121 H121 119.6 . .
C111 C121 H121 119.6 . .
C141 C131 C121 121.0(4) . .
C141 C131 H131 119.5 . .
C121 C131 H131 119.5 . .
C131 C141 C151 119.2(4) . .
C131 C141 H141 120.4 . .
C151 C141 H141 120.4 . .
C141 C151 C161 120.5(4) . .
C141 C151 H151 119.8 . .
C161 C151 H151 119.8 . .
C111 C161 C151 121.3(4) . .
C111 C161 H161 119.3 . .
C151 C161 H161 119.3 . .
C16' C11' C12' 119.5(7) . .
C16' C11' P31 118.6(6) . .
C12' C11' P31 121.9(6) . .
C11' C12' C13' 119.8(9) . .
C11' C12' H12' 120.1 . .
C13' C12' H12' 120.1 . .
C14' C13' C12' 119.8(9) . .
C14' C13' H13' 120.1 . .
C12' C13' H13' 120.1 . .
C13' C14' C15' 120.9(8) . .
C13' C14' H14' 119.6 . .
C15' C14' H14' 119.6 . .
C14' C15' C16' 120.3(9) . .
C14' C15' C15' 111.0(8) . 3
C16' C15' C15' 108.7(8) . 3
C14' C15' H15' 119.9 . .
C16' C15' H15' 119.9 . .
C15' C15' H15' 47.0 3 .
C11' C16' C15' 119.8(8) . .
C11' C16' H16' 120.1 . .
C15' C16' H16' 120.1 . .
C221 C211 C261 118.3(2) . .
C221 C211 P31 116.68(18) . .
C261 C211 P31 125.0(2) . .
C211 C221 C231 120.7(2) . .
C211 C221 H221 119.7 . .
C231 C221 H221 119.7 . .
C241 C231 C221 120.5(3) . .
C241 C231 H231 119.8 . .
C221 C231 H231 119.8 . .
C251 C241 C231 119.4(3) . .
C251 C241 H241 120.3 . .
C231 C241 H241 120.3 . .
C241 C251 C261 120.1(2) . .
C241 C251 H251 119.9 . .
C261 C251 H251 119.9 . .
C251 C261 C211 121.0(2) . .
C251 C261 H261 119.5 . .
C211 C261 H261 119.5 . .
C361 C311 C321 119.0(2) . .
C361 C311 P71 119.16(17) . .
C321 C311 P71 121.84(19) . .
C331 C321 C311 120.7(2) . .
C331 C321 H321 119.6 . .
C311 C321 H321 119.6 . .
C341 C331 C321 119.8(2) . .
C341 C331 H331 120.1 . .
C321 C331 H331 120.1 . .
C331 C341 C351 120.4(2) . .
C331 C341 H341 119.8 . .
C351 C341 H341 119.8 . .
C341 C351 C361 120.1(3) . .
C341 C351 H351 119.9 . .
C361 C351 H351 119.9 . .
C311 C361 C351 120.0(2) . .
C311 C361 H361 120.0 . .
C351 C361 H361 120.0 . .
C421 C411 C461 116.7(3) . .
C421 C411 P71 121.1(3) . .
C461 C411 P71 121.4(3) . .
C411 C421 C431 121.2(4) . .
C411 C421 H421 119.4 . .
C431 C421 H421 119.4 . .
C441 C431 C421 120.3(5) . .
C441 C431 H431 119.8 . .
C421 C431 H431 119.8 . .
C451 C441 C431 119.6(4) . .
C451 C441 H441 120.2 . .
C431 C441 H441 120.2 . .
C441 C451 C461 121.1(5) . .
C441 C451 H451 119.5 . .
C461 C451 H451 119.5 . .
C451 C461 C411 121.0(5) . .
C451 C461 H461 119.5 . .
C411 C461 H461 119.5 . .
C42' C41' C46' 119.8(6) . .
C42' C41' P71 118.1(6) . .
C46' C41' P71 121.6(6) . .
C41' C42' C43' 119.9(7) . .
C41' C42' H42' 120.1 . .
C43' C42' H42' 120.1 . .
C44' C43' C42' 119.5(8) . .
C44' C43' H43' 120.2 . .
C42' C43' H43' 120.2 . .
C45' C44' C43' 120.7(8) . .
C45' C44' H44' 119.6 . .
C43' C44' H44' 119.6 . .
C44' C45' C46' 120.5(8) . .
C44' C45' H45' 119.8 . .
C46' C45' H45' 119.8 . .
C41' C46' C45' 119.5(8) . .
C41' C46' H46' 120.2 . .
C45' C46' H46' 120.2 . .
C551 C511 C521 109.7(4) . .
C551 C511 Ru1 70.8(2) . .
C521 C511 Ru1 72.37(19) . .
C551 C511 H511 125.1 . .
C521 C511 H511 125.1 . .
Ru1 C511 H511 123.3 . .
C531 C521 C511 106.0(4) . .
C531 C521 Ru1 69.5(2) . .
C511 C521 Ru1 71.05(19) . .
C531 C521 H521 127.0 . .
C511 C521 H521 127.0 . .
Ru1 C521 H521 124.1 . .
C541 C531 C521 109.7(4) . .
C541 C531 Ru1 70.8(2) . .
C521 C531 Ru1 73.9(2) . .
C541 C531 H531 125.1 . .
C521 C531 H531 125.1 . .
Ru1 C531 H531 121.8 . .
C531 C541 C551 107.3(4) . .
C531 C541 Ru1 72.08(19) . .
C551 C541 Ru1 72.3(2) . .
C531 C541 H541 126.3 . .
C551 C541 H541 126.3 . .
Ru1 C541 H541 121.0 . .
C511 C551 C541 107.3(4) . .
C511 C551 Ru1 72.8(2) . .
C541 C551 Ru1 70.1(2) . .
C511 C551 H551 126.4 . .
C541 C551 H551 126.4 . .
Ru1 C551 H551 122.4 . .
C55' C51' C52' 109.4(9) . .
C55' C51' Ru1 72.8(6) . .
C52' C51' Ru1 71.9(6) . .
C55' C51' H51' 125.3 . .
C52' C51' H51' 125.3 . .
Ru1 C51' H51' 121.7 . .
C53' C52' C51' 106.5(9) . .
C53' C52' Ru1 72.3(5) . .
C51' C52' Ru1 69.9(6) . .
C53' C52' H52' 126.8 . .
C51' C52' H52' 126.8 . .
Ru1 C52' H52' 122.7 . .
C52' C53' C54' 109.0(8) . .
C52' C53' Ru1 70.7(6) . .
C54' C53' Ru1 71.9(5) . .
C52' C53' H53' 125.5 . .
C54' C53' H53' 125.5 . .
Ru1 C53' H53' 123.5 . .
C55' C54' C53' 107.9(8) . .
C55' C54' Ru1 70.6(6) . .
C53' C54' Ru1 70.9(5) . .
C55' C54' H54' 126.0 . .
C53' C54' H54' 126.0 . .
Ru1 C54' H54' 124.1 . .
C51' C55' C54' 107.2(9) . .
C51' C55' Ru1 69.9(6) . .
C54' C55' Ru1 72.2(6) . .
C51' C55' H55' 126.4 . .
C54' C55' H55' 126.4 . .
Ru1 C55' H55' 123.2 . .
C41 C611 H61A 109.5 . .
C41 C611 H61B 109.5 . .
H61A C611 H61B 109.5 . .
C41 C611 H61C 109.5 . .
H61A C611 H61C 109.5 . .
H61B C611 H61C 109.5 . .
C41 C631 H63A 109.5 . .
C41 C631 H63B 109.5 . .
H63A C631 H63B 109.5 . .
C41 C631 H63C 109.5 . .
H63A C631 H63C 109.5 . .
H63B C631 H63C 109.5 . .
C542 Ru2 C532 38.07(9) . .
C542 Ru2 C552 37.97(10) . .
C532 Ru2 C552 63.04(10) . .
C542 Ru2 C512 62.17(10) . .
C532 Ru2 C512 62.00(10) . .
C552 Ru2 C512 36.60(10) . .
C542 Ru2 C522 62.99(9) . .
C532 Ru2 C522 37.50(9) . .
C552 Ru2 C522 62.25(10) . .
C512 Ru2 C522 36.87(10) . .
C542 Ru2 P72 99.21(7) . .
C532 Ru2 P72 127.47(7) . .
C552 Ru2 P72 104.26(7) . .
C512 Ru2 P72 136.64(8) . .
C522 Ru2 P72 162.20(7) . .
C542 Ru2 P32 119.21(7) . .
C532 Ru2 P32 100.73(7) . .
C552 Ru2 P32 156.93(8) . .
C512 Ru2 P32 151.63(8) . .
C522 Ru2 P32 115.78(7) . .
P72 Ru2 P32 71.60(2) . .
C542 Ru2 Cl22 147.91(7) . .
C532 Ru2 Cl22 136.93(7) . .
C552 Ru2 Cl22 110.62(8) . .
C512 Ru2 Cl22 87.69(7) . .
C522 Ru2 Cl22 100.07(7) . .
P72 Ru2 Cl22 95.60(2) . .
P32 Ru2 Cl22 92.45(2) . .
C212 P32 C112 103.65(11) . .
C212 P32 C42 110.06(10) . .
C112 P32 C42 104.03(10) . .
C212 P32 Ru2 119.89(8) . .
C112 P32 Ru2 120.06(8) . .
C42 P32 Ru2 97.72(7) . .
C212 P32 P72 139.93(8) . .
C112 P32 P72 112.50(8) . .
C42 P32 P72 45.47(7) . .
Ru2 P32 P72 54.156(18) . .
C312 P72 C412 99.29(10) . .
C312 P72 C42 106.85(10) . .
C412 P72 C42 115.68(10) . .
C312 P72 Ru2 125.03(8) . .
C412 P72 Ru2 112.96(7) . .
C42 P72 Ru2 97.86(7) . .
C312 P72 P32 140.38(7) . .
C412 P72 P32 117.62(8) . .
C42 P72 P32 45.53(7) . .
Ru2 P72 P32 54.239(18) . .
C612 C42 C632 109.35(18) . .
C612 C42 P72 121.10(16) . .
C632 C42 P72 106.34(15) . .
C612 C42 P32 118.96(16) . .
C632 C42 P32 110.25(15) . .
P72 C42 P32 89.00(9) . .
C162 C112 C122 118.0(2) . .
C162 C112 P32 118.42(19) . .
C122 C112 P32 123.38(19) . .
C132 C122 C112 120.8(3) . .
C132 C122 H122 119.6 . .
C112 C122 H122 119.6 . .
C142 C132 C122 120.3(3) . .
C142 C132 H132 119.9 . .
C122 C132 H132 119.9 . .
C132 C142 C152 119.8(3) . .
C132 C142 H142 120.1 . .
C152 C142 H142 120.1 . .
C162 C152 C142 119.7(3) . .
C162 C152 H152 120.1 . .
C142 C152 H152 120.1 . .
C152 C162 C112 121.3(3) . .
C152 C162 H162 119.3 . .
C112 C162 H162 119.3 . .
C222 C212 C262 118.6(2) . .
C222 C212 P32 116.34(17) . .
C262 C212 P32 125.02(18) . .
C232 C222 C212 120.6(2) . .
C232 C222 H222 119.7 . .
C212 C222 H222 119.7 . .
C242 C232 C222 120.2(2) . .
C242 C232 H232 119.9 . .
C222 C232 H232 119.9 . .
C232 C242 C252 119.9(2) . .
C232 C242 H242 120.0 . .
C252 C242 H242 120.0 . .
C262 C252 C242 120.0(2) . .
C262 C252 H252 120.0 . .
C242 C252 H252 120.0 . .
C252 C262 C212 120.7(2) . .
C252 C262 H262 119.7 . .
C212 C262 H262 119.7 . .
C362 C312 C322 119.8(2) . .
C362 C312 P72 120.01(17) . .
C322 C312 P72 120.21(18) . .
C332 C322 C312 120.3(2) . .
C332 C322 H322 119.8 . .
C312 C322 H322 119.8 . .
C342 C332 C322 119.9(2) . .
C342 C332 H332 120.0 . .
C322 C332 H332 120.0 . .
C332 C342 C352 120.2(2) . .
C332 C342 H342 119.9 . .
C352 C342 H342 119.9 . .
C342 C352 C362 120.2(2) . .
C342 C352 H352 119.9 . .
C362 C352 H352 119.9 . .
C312 C362 C352 119.6(2) . .
C312 C362 H362 120.2 . .
C352 C362 H362 120.2 . .
C462 C412 C422 118.0(2) . .
C462 C412 P72 128.25(19) . .
C422 C412 P72 113.37(17) . .
C432 C422 C412 121.2(2) . .
C432 C422 H422 119.4 . .
C412 C422 H422 119.4 . .
C442 C432 C422 120.1(3) . .
C442 C432 H432 120.0 . .
C422 C432 H432 120.0 . .
C452 C442 C432 119.3(2) . .
C452 C442 H442 120.3 . .
C432 C442 H442 120.3 . .
C442 C452 C462 121.0(2) . .
C442 C452 H452 119.5 . .
C462 C452 H452 119.5 . .
C412 C462 C452 120.4(2) . .
C412 C462 H462 119.8 . .
C452 C462 H462 119.8 . .
C552 C512 C522 110.3(2) . .
C552 C512 Ru2 71.62(14) . .
C522 C512 Ru2 71.84(14) . .
C552 C512 H512 124.8 . .
C522 C512 H512 124.8 . .
Ru2 C512 H512 123.3 . .
C512 C522 C532 106.6(2) . .
C512 C522 Ru2 71.29(14) . .
C532 C522 Ru2 69.03(13) . .
C512 C522 H522 126.7 . .
C532 C522 H522 126.7 . .
Ru2 C522 H522 124.6 . .
C542 C532 C522 108.4(2) . .
C542 C532 Ru2 70.55(13) . .
C522 C532 Ru2 73.48(14) . .
C542 C532 H532 125.8 . .
C522 C532 H532 125.8 . .
Ru2 C532 H532 121.9 . .
C532 C542 C552 108.0(2) . .
C532 C542 Ru2 71.38(13) . .
C552 C542 Ru2 73.28(14) . .
C532 C542 H542 126.0 . .
C552 C542 H542 126.0 . .
Ru2 C542 H542 121.1 . .
C512 C552 C542 106.7(2) . .
C512 C552 Ru2 71.78(14) . .
C542 C552 Ru2 68.75(13) . .
C512 C552 H552 126.6 . .
C542 C552 H552 126.6 . .
Ru2 C552 H552 124.4 . .
C42 C612 H61D 109.5 . .
C42 C612 H61E 109.5 . .
H61D C612 H61E 109.5 . .
C42 C612 H61F 109.5 . .
H61D C612 H61F 109.5 . .
H61E C612 H61F 109.5 . .
C42 C632 H63D 109.5 . .
C42 C632 H63E 109.5 . .
H63D C632 H63E 109.5 . .
C42 C632 H63F 109.5 . .
H63D C632 H63F 109.5 . .
H63E C632 H63F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C51' 2.152(14) .
Ru1 C52' 2.177(11) .
Ru1 C541 2.180(4) .
Ru1 C55' 2.189(14) .
Ru1 C531 2.197(4) .
Ru1 C53' 2.197(11) .
Ru1 C54' 2.209(11) .
Ru1 C551 2.210(4) .
Ru1 C511 2.236(4) .
Ru1 C521 2.253(4) .
Ru1 Cl21 2.4259(6) .
Ru1 P71 2.2620(6) .
Ru1 P31 2.2890(6) .
P31 C211 1.825(3) .
P31 C11' 1.825(6) .
P31 C111 1.872(3) .
P31 C41 1.897(2) .
P31 P71 2.6603(9) .
P71 C41' 1.820(6) .
P71 C311 1.823(2) .
P71 C411 1.838(4) .
P71 C41 1.887(2) .
C41 C611 1.524(3) .
C41 C631 1.535(3) .
C111 C161 1.381(5) .
C111 C121 1.397(4) .
C121 C131 1.381(5) .
C121 H121 0.9500 .
C131 C141 1.361(6) .
C131 H131 0.9500 .
C141 C151 1.365(6) .
C141 H141 0.9500 .
C151 C161 1.389(6) .
C151 H151 0.9500 .
C161 H161 0.9500 .
C11' C16' 1.372(8) .
C11' C12' 1.386(8) .
C12' C13' 1.391(8) .
C12' H12' 0.9500 .
C13' C14' 1.356(10) .
C13' H13' 0.9500 .
C14' C15' 1.359(10) .
C14' H14' 0.9500 .
C15' C16' 1.384(9) .
C15' C15' 1.78(2) 3
C15' H15' 0.9500 .
C16' H16' 0.9500 .
C211 C221 1.376(4) .
C211 C261 1.391(3) .
C221 C231 1.385(4) .
C221 H221 0.9500 .
C231 C241 1.375(4) .
C231 H231 0.9500 .
C241 C251 1.375(4) .
C241 H241 0.9500 .
C251 C261 1.377(4) .
C251 H251 0.9500 .
C261 H261 0.9500 .
C311 C361 1.381(3) .
C311 C321 1.397(3) .
C321 C331 1.381(4) .
C321 H321 0.9500 .
C331 C341 1.372(4) .
C331 H331 0.9500 .
C341 C351 1.377(4) .
C341 H341 0.9500 .
C351 C361 1.394(3) .
C351 H351 0.9500 .
C361 H361 0.9500 .
C411 C421 1.367(5) .
C411 C461 1.388(5) .
C421 C431 1.392(5) .
C421 H421 0.9500 .
C431 C441 1.358(8) .
C431 H431 0.9500 .
C441 C451 1.326(9) .
C441 H441 0.9500 .
C451 C461 1.388(6) .
C451 H451 0.9500 .
C461 H461 0.9500 .
C41' C42' 1.360(8) .
C41' C46' 1.378(8) .
C42' C43' 1.394(8) .
C42' H42' 0.9500 .
C43' C44' 1.362(11) .
C43' H43' 0.9500 .
C44' C45' 1.344(11) .
C44' H44' 0.9500 .
C45' C46' 1.381(8) .
C45' H45' 0.9500 .
C46' H46' 0.9500 .
C511 C551 1.388(7) .
C511 C521 1.409(6) .
C511 H511 0.9500 .
C521 C531 1.400(6) .
C521 H521 0.9500 .
C531 C541 1.394(6) .
C531 H531 0.9500 .
C541 C551 1.415(7) .
C541 H541 0.9500 .
C551 H551 0.9500 .
C51' C55' 1.388(11) .
C51' C52' 1.416(11) .
C51' H51' 0.9500 .
C52' C53' 1.387(10) .
C52' H52' 0.9500 .
C53' C54' 1.405(10) .
C53' H53' 0.9500 .
C54' C55' 1.403(11) .
C54' H54' 0.9500 .
C55' H55' 0.9500 .
C611 H61A 0.9800 .
C611 H61B 0.9800 .
C611 H61C 0.9800 .
C631 H63A 0.9800 .
C631 H63B 0.9800 .
C631 H63C 0.9800 .
Ru2 C542 2.163(2) .
Ru2 C532 2.174(2) .
Ru2 C552 2.222(2) .
Ru2 C512 2.225(2) .
Ru2 C522 2.232(2) .
Ru2 P72 2.2694(6) .
Ru2 P32 2.2718(6) .
Ru2 Cl22 2.4483(5) .
P32 C212 1.821(2) .
P32 C112 1.835(2) .
P32 C42 1.896(2) .
P32 P72 2.6566(8) .
P72 C312 1.830(2) .
P72 C412 1.837(2) .
P72 C42 1.894(2) .
C42 C612 1.524(3) .
C42 C632 1.541(3) .
C112 C162 1.387(3) .
C112 C122 1.391(3) .
C122 C132 1.383(4) .
C122 H122 0.9500 .
C132 C142 1.376(4) .
C132 H132 0.9500 .
C142 C152 1.382(4) .
C142 H142 0.9500 .
C152 C162 1.381(4) .
C152 H152 0.9500 .
C162 H162 0.9500 .
C212 C222 1.388(3) .
C212 C262 1.391(3) .
C222 C232 1.381(3) .
C222 H222 0.9500 .
C232 C242 1.376(3) .
C232 H232 0.9500 .
C242 C252 1.382(4) .
C242 H242 0.9500 .
C252 C262 1.379(3) .
C252 H252 0.9500 .
C262 H262 0.9500 .
C312 C362 1.384(3) .
C312 C322 1.390(3) .
C322 C332 1.379(3) .
C322 H322 0.9500 .
C332 C342 1.378(4) .
C332 H332 0.9500 .
C342 C352 1.381(4) .
C342 H342 0.9500 .
C352 C362 1.390(3) .
C352 H352 0.9500 .
C362 H362 0.9500 .
C412 C462 1.378(3) .
C412 C422 1.387(3) .
C422 C432 1.386(3) .
C422 H422 0.9500 .
C432 C442 1.371(4) .
C432 H432 0.9500 .
C442 C452 1.363(4) .
C442 H442 0.9500 .
C452 C462 1.391(3) .
C452 H452 0.9500 .
C462 H462 0.9500 .
C512 C552 1.396(4) .
C512 C522 1.409(4) .
C512 H512 0.9500 .
C522 C532 1.417(4) .
C522 H522 0.9500 .
C532 C542 1.414(4) .
C532 H532 0.9500 .
C542 C552 1.428(4) .
C542 H542 0.9500 .
C552 H552 0.9500 .
C612 H61D 0.9800 .
C612 H61E 0.9800 .
C612 H61F 0.9800 .
C632 H63D 0.9800 .
C632 H63E 0.9800 .
C632 H63F 0.9800 .
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_4
C51' Ru1 P31 C211 132.7(6) . .
C52' Ru1 P31 C211 161.2(5) . .
C541 Ru1 P31 C211 141.31(19) . .
C55' Ru1 P31 C211 93.4(7) . .
C531 Ru1 P31 C211 105.4(2) . .
C53' Ru1 P31 C211 78(2) . .
C54' Ru1 P31 C211 61.4(6) . .
C551 Ru1 P31 C211 151.5(5) . .
C511 Ru1 P31 C211 54.0(3) . .
C521 Ru1 P31 C211 68.92(18) . .
P71 Ru1 P31 C211 -129.12(9) . .
C51' Ru1 P31 C11' 25.0(7) . .
C52' Ru1 P31 C11' 53.5(6) . .
C541 Ru1 P31 C11' 33.6(3) . .
C55' Ru1 P31 C11' -14.4(7) . .
C531 Ru1 P31 C11' -2.3(3) . .
C53' Ru1 P31 C11' -30(2) . .
C54' Ru1 P31 C11' -46.4(6) . .
C551 Ru1 P31 C11' 43.8(5) . .
C511 Ru1 P31 C11' -53.7(4) . .
C521 Ru1 P31 C11' -38.8(3) . .
P71 Ru1 P31 C11' 123.2(3) . .
C51' Ru1 P31 C111 -0.6(6) . .
C52' Ru1 P31 C111 27.9(5) . .
C541 Ru1 P31 C111 8.0(2) . .
C55' Ru1 P31 C111 -39.9(7) . .
C531 Ru1 P31 C111 -27.9(2) . .
C53' Ru1 P31 C111 -55(2) . .
C54' Ru1 P31 C111 -72.0(6) . .
C551 Ru1 P31 C111 18.2(5) . .
C511 Ru1 P31 C111 -79.3(3) . .
C521 Ru1 P31 C111 -64.38(19) . .
P71 Ru1 P31 C111 97.58(11) . .
C51' Ru1 P31 C41 -110.5(6) . .
C52' Ru1 P31 C41 -82.0(5) . .
C541 Ru1 P31 C41 -101.89(18) . .
C55' Ru1 P31 C41 -149.8(7) . .
C531 Ru1 P31 C41 -137.82(19) . .
C53' Ru1 P31 C41 -165(2) . .
C54' Ru1 P31 C41 178.2(6) . .
C551 Ru1 P31 C41 -91.7(5) . .
C511 Ru1 P31 C41 170.8(3) . .
C521 Ru1 P31 C41 -174.28(17) . .
P71 Ru1 P31 C41 -12.32(7) . .
C51' Ru1 P31 P71 -98.2(6) . .
C52' Ru1 P31 P71 -69.6(5) . .
C541 Ru1 P31 P71 -89.57(17) . .
C55' Ru1 P31 P71 -137.5(7) . .
C531 Ru1 P31 P71 -125.50(18) . .
C53' Ru1 P31 P71 -153(2) . .
C54' Ru1 P31 P71 -169.5(6) . .
C551 Ru1 P31 P71 -79.4(4) . .
C511 Ru1 P31 P71 -176.8(3) . .
C521 Ru1 P31 P71 -161.96(15) . .
C51' Ru1 P71 C41' 14.0(6) . .
C52' Ru1 P71 C41' 51.2(6) . .
C541 Ru1 P71 C41' 25.3(4) . .
C55' Ru1 P71 C41' 0.3(6) . .
C531 Ru1 P71 C41' -1.0(3) . .
C53' Ru1 P71 C41' 79.7(4) . .
C54' Ru1 P71 C41' 67.3(13) . .
C551 Ru1 P71 C41' 63.4(4) . .
C511 Ru1 P71 C41' 83.4(3) . .
C521 Ru1 P71 C41' 28.0(8) . .
P31 Ru1 P71 C41' -94.5(3) . .
C51' Ru1 P71 C311 -122.4(5) . .
C52' Ru1 P71 C311 -85.3(5) . .
C541 Ru1 P71 C311 -111.2(2) . .
C55' Ru1 P71 C311 -136.2(5) . .
C531 Ru1 P71 C311 -137.54(18) . .
C53' Ru1 P71 C311 -56.7(3) . .
C54' Ru1 P71 C311 -69.2(12) . .
C551 Ru1 P71 C311 -73.1(2) . .
C511 Ru1 P71 C311 -53.1(2) . .
C521 Ru1 P71 C311 -108.5(7) . .
P31 Ru1 P71 C311 128.97(9) . .
C51' Ru1 P71 C411 -1.0(5) . .
C52' Ru1 P71 C411 36.1(6) . .
C541 Ru1 P71 C411 10.2(3) . .
C55' Ru1 P71 C411 -14.8(5) . .
C531 Ru1 P71 C411 -16.1(2) . .
C53' Ru1 P71 C411 64.7(4) . .
C54' Ru1 P71 C411 52.2(12) . .
C551 Ru1 P71 C411 48.3(3) . .
C511 Ru1 P71 C411 68.3(2) . .
C521 Ru1 P71 C411 12.9(7) . .
P31 Ru1 P71 C411 -109.63(15) . .
C51' Ru1 P71 C41 121.0(5) . .
C52' Ru1 P71 C41 158.1(5) . .
C541 Ru1 P71 C41 132.2(2) . .
C55' Ru1 P71 C41 107.2(5) . .
C531 Ru1 P71 C41 105.91(17) . .
C53' Ru1 P71 C41 -173.3(3) . .
C54' Ru1 P71 C41 174.3(12) . .
C551 Ru1 P71 C41 170.3(2) . .
C511 Ru1 P71 C41 -169.62(19) . .
C521 Ru1 P71 C41 135.0(7) . .
P31 Ru1 P71 C41 12.42(7) . .
C51' Ru1 P71 P31 108.6(5) . .
C52' Ru1 P71 P31 145.7(5) . .
C541 Ru1 P71 P31 119.8(2) . .
C55' Ru1 P71 P31 94.8(5) . .
C531 Ru1 P71 P31 93.49(16) . .
C53' Ru1 P71 P31 174.3(3) . .
C54' Ru1 P71 P31 161.8(12) . .
C551 Ru1 P71 P31 157.9(2) . .
C511 Ru1 P71 P31 177.96(17) . .
C521 Ru1 P71 P31 122.5(7) . .
C211 P31 P71 C41' -159.2(3) . .
C11' P31 P71 C41' 3.5(5) . .
C111 P31 P71 C41' -8.9(3) . .
C41 P31 P71 C41' -93.8(3) . .
Ru1 P31 P71 C41' 103.6(3) . .
C211 P31 P71 C311 -8.78(18) . .
C11' P31 P71 C311 153.9(4) . .
C111 P31 P71 C311 141.46(16) . .
C41 P31 P71 C311 56.63(16) . .
Ru1 P31 P71 C311 -106.01(12) . .
C211 P31 P71 C411 -162.0(2) . .
C11' P31 P71 C411 0.7(4) . .
C111 P31 P71 C411 -11.7(2) . .
C41 P31 P71 C411 -96.57(19) . .
Ru1 P31 P71 C411 100.78(16) . .
C211 P31 P71 C41 -65.41(15) . .
C11' P31 P71 C41 97.3(3) . .
C111 P31 P71 C41 84.83(15) . .
Ru1 P31 P71 C41 -162.65(10) . .
C211 P31 P71 Ru1 97.23(12) . .
C11' P31 P71 Ru1 -100.1(3) . .
C111 P31 P71 Ru1 -112.53(11) . .
C41 P31 P71 Ru1 162.65(10) . .
C41' P71 C41 C611 -27.5(3) . .
C311 P71 C41 C611 89.28(19) . .
C411 P71 C41 C611 -17.6(2) . .
Ru1 P71 C41 C611 -139.72(17) . .
P31 P71 C41 C611 -125.5(2) . .
C41' P71 C41 C631 -151.4(3) . .
C311 P71 C41 C631 -34.65(18) . .
C411 P71 C41 C631 -141.53(19) . .
Ru1 P71 C41 C631 96.35(15) . .
P31 P71 C41 C631 110.61(18) . .
C41' P71 C41 P31 98.0(3) . .
C311 P71 C41 P31 -145.25(10) . .
C411 P71 C41 P31 107.86(15) . .
Ru1 P71 C41 P31 -14.25(8) . .
C211 P31 C41 C611 -97.2(2) . .
C11' P31 C41 C611 3.4(4) . .
C111 P31 C41 C611 12.8(2) . .
Ru1 P31 C41 C611 137.24(18) . .
P71 P31 C41 C611 123.2(2) . .
C211 P31 C41 C631 31.75(19) . .
C11' P31 C41 C631 132.4(3) . .
C111 P31 C41 C631 141.74(18) . .
Ru1 P31 C41 C631 -93.80(15) . .
P71 P31 C41 C631 -107.84(18) . .
C211 P31 C41 P71 139.59(10) . .
C11' P31 C41 P71 -119.8(3) . .
C111 P31 C41 P71 -110.42(12) . .
Ru1 P31 C41 P71 14.04(8) . .
C211 P31 C111 C161 -137.9(2) . .
C11' P31 C111 C161 -92.6(7) . .
C41 P31 C111 C161 108.8(2) . .
Ru1 P31 C111 C161 1.7(2) . .
P71 P31 C111 C161 62.4(2) . .
C211 P31 C111 C121 42.1(2) . .
C11' P31 C111 C121 87.4(7) . .
C41 P31 C111 C121 -71.3(2) . .
Ru1 P31 C111 C121 -178.28(15) . .
P71 P31 C111 C121 -117.67(18) . .
C161 C111 C121 C131 -0.03(14) . .
P31 C111 C121 C131 180.0(2) . .
C111 C121 C131 C141 0.04(14) . .
C121 C131 C141 C151 -0.1(3) . .
C131 C141 C151 C161 0.2(4) . .
C121 C111 C161 C151 0.1(3) . .
P31 C111 C161 C151 -179.9(3) . .
C141 C151 C161 C111 -0.2(4) . .
C211 P31 C11' C16' -81.3(4) . .
C111 P31 C11' C16' 142.3(10) . .
C41 P31 C11' C16' 167.4(4) . .
Ru1 P31 C11' C16' 43.4(5) . .
P71 P31 C11' C16' 110.3(4) . .
C211 P31 C11' C12' 99.5(4) . .
C111 P31 C11' C12' -36.9(6) . .
C41 P31 C11' C12' -11.9(6) . .
Ru1 P31 C11' C12' -135.8(4) . .
P71 P31 C11' C12' -68.9(5) . .
C16' C11' C12' C13' 0.03(15) . .
P31 C11' C12' C13' 179.2(6) . .
C11' C12' C13' C14' -0.02(15) . .
C12' C13' C14' C15' 0.1(3) . .
C13' C14' C15' C16' -0.2(4) . .
C13' C14' C15' C15' 128.3(8) . 3
C12' C11' C16' C15' -0.1(3) . .
P31 C11' C16' C15' -179.3(6) . .
C14' C15' C16' C11' 0.2(4) . .
C15' C15' C16' C11' -129.3(9) 3 .
C11' P31 C211 C221 95.3(3) . .
C111 P31 C211 C221 110.7(2) . .
C41 P31 C211 C221 -140.2(2) . .
Ru1 P31 C211 C221 -29.4(2) . .
P71 P31 C211 C221 -97.3(2) . .
C11' P31 C211 C261 -83.4(3) . .
C111 P31 C211 C261 -68.0(2) . .
C41 P31 C211 C261 41.0(2) . .
Ru1 P31 C211 C261 151.89(18) . .
P71 P31 C211 C261 83.9(2) . .
C261 C211 C221 C231 0.1(4) . .
P31 C211 C221 C231 -178.7(2) . .
C211 C221 C231 C241 -1.1(5) . .
C221 C231 C241 C251 1.0(4) . .
C231 C241 C251 C261 0.2(4) . .
C241 C251 C261 C211 -1.2(4) . .
C221 C211 C261 C251 1.0(4) . .
P31 C211 C261 C251 179.73(18) . .
C41' P71 C311 C361 -138.9(3) . .
C411 P71 C311 C361 -131.4(2) . .
C41 P71 C311 C361 110.16(19) . .
Ru1 P71 C311 C361 -3.1(2) . .
P31 P71 C311 C361 71.9(2) . .
C41' P71 C311 C321 43.4(4) . .
C411 P71 C311 C321 50.8(2) . .
C41 P71 C311 C321 -67.6(2) . .
Ru1 P71 C311 C321 179.18(16) . .
P31 P71 C311 C321 -105.8(2) . .
C361 C311 C321 C331 0.7(4) . .
P71 C311 C321 C331 178.40(19) . .
C311 C321 C331 C341 -0.3(4) . .
C321 C331 C341 C351 -0.3(4) . .
C331 C341 C351 C361 0.5(4) . .
C321 C311 C361 C351 -0.5(3) . .
P71 C311 C361 C351 -178.26(17) . .
C341 C351 C361 C311 -0.1(4) . .
C41' P71 C411 C421 -173.2(17) . .
C311 P71 C411 C421 34.8(2) . .
C41 P71 C411 C421 146.3(2) . .
Ru1 P71 C411 C421 -100.8(2) . .
P31 P71 C411 C421 -162.62(19) . .
C41' P71 C411 C461 -3.8(14) . .
C311 P71 C411 C461 -155.7(3) . .
C41 P71 C411 C461 -44.2(3) . .
Ru1 P71 C411 C461 68.7(3) . .
P31 P71 C411 C461 6.8(3) . .
C461 C411 C421 C431 -0.05(13) . .
P71 C411 C421 C431 169.9(3) . .
C411 C421 C431 C441 -0.11(15) . .
C421 C431 C441 C451 0.3(3) . .
C431 C441 C451 C461 -0.3(4) . .
C441 C451 C461 C411 0.2(4) . .
C421 C411 C461 C451 0.0(3) . .
P71 C411 C461 C451 -169.9(3) . .
C311 P71 C41' C42' 20.4(5) . .
C411 P71 C41' C42' -9.5(13) . .
C41 P71 C41' C42' 133.2(4) . .
Ru1 P71 C41' C42' -122.7(4) . .
P31 P71 C41' C42' -179.9(4) . .
C311 P71 C41' C46' -166.8(4) . .
C411 P71 C41' C46' 163.2(19) . .
C41 P71 C41' C46' -54.1(5) . .
Ru1 P71 C41' C46' 50.0(5) . .
P31 P71 C41' C46' -7.2(5) . .
C46' C41' C42' C43' -0.03(15) . .
P71 C41' C42' C43' 172.8(7) . .
C41' C42' C43' C44' 0.03(15) . .
C42' C43' C44' C45' -0.1(3) . .
C43' C44' C45' C46' 0.1(5) . .
C42' C41' C46' C45' 0.1(3) . .
P71 C41' C46' C45' -172.5(7) . .
C44' C45' C46' C41' -0.1(4) . .
C51' Ru1 C511 C551 51.2(6) . .
C52' Ru1 C511 C551 9.2(6) . .
C541 Ru1 C511 C551 38.5(3) . .
C55' Ru1 C511 C551 92.5(7) . .
C531 Ru1 C511 C551 81.2(3) . .
C53' Ru1 C511 C551 -23.4(10) . .
C54' Ru1 C511 C551 126.3(12) . .
C521 Ru1 C511 C551 119.1(4) . .
P71 Ru1 C511 C551 -34.2(4) . .
P31 Ru1 C511 C551 141.5(5) . .
C51' Ru1 C511 C521 -67.9(6) . .
C52' Ru1 C511 C521 -109.9(6) . .
C541 Ru1 C511 C521 -80.6(3) . .
C55' Ru1 C511 C521 -26.6(7) . .
C531 Ru1 C511 C521 -37.9(2) . .
C53' Ru1 C511 C521 -142.5(12) . .
C54' Ru1 C511 C521 7.3(11) . .
C551 Ru1 C511 C521 -119.1(4) . .
P71 Ru1 C511 C521 -153.3(3) . .
P31 Ru1 C511 C521 22.4(5) . .
C551 C511 C521 C531 -0.14(11) . .
Ru1 C511 C521 C531 61.10(16) . .
C551 C511 C521 Ru1 -61.23(18) . .
C51' Ru1 C521 C531 -24.0(5) . .
C52' Ru1 C521 C531 -64.9(5) . .
C541 Ru1 C521 C531 -37.1(2) . .
C55' Ru1 C521 C531 5.5(10) . .
C53' Ru1 C521 C531 -102.5(5) . .
C54' Ru1 C521 C531 -125.6(14) . .
C551 Ru1 C521 C531 -79.9(3) . .
C511 Ru1 C521 C531 -116.0(3) . .
P71 Ru1 C521 C531 -40.1(10) . .
P31 Ru1 C521 C531 75.3(4) . .
C51' Ru1 C521 C511 92.0(6) . .
C52' Ru1 C521 C511 51.1(5) . .
C541 Ru1 C521 C511 79.0(3) . .
C55' Ru1 C521 C511 121.5(10) . .
C531 Ru1 C521 C511 116.0(3) . .
C53' Ru1 C521 C511 13.5(4) . .
C54' Ru1 C521 C511 -9.6(13) . .
C551 Ru1 C521 C511 36.1(3) . .
P71 Ru1 C521 C511 75.9(10) . .
P31 Ru1 C521 C511 -168.7(3) . .
C511 C521 C531 C541 -0.02(11) . .
Ru1 C521 C531 C541 62.11(16) . .
C511 C521 C531 Ru1 -62.13(14) . .
C51' Ru1 C531 C541 12.8(8) . .
C52' Ru1 C531 C541 -20.9(4) . .
C55' Ru1 C531 C541 -129(2) . .
C53' Ru1 C531 C541 -61.9(4) . .
C54' Ru1 C531 C541 -100.6(6) . .
C551 Ru1 C531 C541 -38.7(3) . .
C511 Ru1 C531 C541 -80.4(3) . .
C521 Ru1 C531 C541 -118.2(4) . .
P71 Ru1 C531 C541 46.4(4) . .
P31 Ru1 C531 C541 123.6(4) . .
C51' Ru1 C531 C521 131.0(9) . .
C52' Ru1 C531 C521 97.4(4) . .
C541 Ru1 C531 C521 118.2(4) . .
C55' Ru1 C531 C521 -11.2(18) . .
C53' Ru1 C531 C521 56.4(4) . .
C54' Ru1 C531 C521 17.6(5) . .
C551 Ru1 C531 C521 79.6(3) . .
C511 Ru1 C531 C521 37.9(2) . .
P71 Ru1 C531 C521 164.7(4) . .
P31 Ru1 C531 C521 -118.2(4) . .
C521 C531 C541 C551 0.16(19) . .
Ru1 C531 C541 C551 64.22(19) . .
C521 C531 C541 Ru1 -64.05(17) . .
C51' Ru1 C541 C531 -29(2) . .
C52' Ru1 C541 C531 136.8(8) . .
C55' Ru1 C541 C531 13.0(7) . .
C53' Ru1 C541 C531 97.3(5) . .
C54' Ru1 C541 C531 54.4(6) . .
C551 Ru1 C541 C531 115.5(4) . .
C511 Ru1 C541 C531 78.3(3) . .
C521 Ru1 C541 C531 36.5(2) . .
P71 Ru1 C541 C531 -144.5(4) . .
P31 Ru1 C541 C531 -70.6(4) . .
C51' Ru1 C541 C551 -144(2) . .
C52' Ru1 C541 C551 21.2(6) . .
C55' Ru1 C541 C551 -102.5(7) . .
C531 Ru1 C541 C551 -115.5(4) . .
C53' Ru1 C541 C551 -18.3(4) . .
C54' Ru1 C541 C551 -61.1(5) . .
C511 Ru1 C541 C551 -37.3(3) . .
C521 Ru1 C541 C551 -79.0(3) . .
P71 Ru1 C541 C551 100.0(4) . .
P31 Ru1 C541 C551 173.8(4) . .
C521 C511 C551 C541 0.23(19) . .
Ru1 C511 C551 C541 -61.99(19) . .
C521 C511 C551 Ru1 62.23(17) . .
C531 C541 C551 C511 -0.2(2) . .
Ru1 C541 C551 C511 63.81(18) . .
C531 C541 C551 Ru1 -64.05(18) . .
C51' Ru1 C551 C511 -106.8(7) . .
C52' Ru1 C551 C511 -152.7(16) . .
C541 Ru1 C551 C511 -116.3(4) . .
C55' Ru1 C551 C511 -64.5(6) . .
C531 Ru1 C551 C511 -78.1(3) . .
C53' Ru1 C551 C511 19.1(9) . .
C54' Ru1 C551 C511 -21.8(6) . .
C521 Ru1 C551 C511 -36.3(2) . .
P71 Ru1 C551 C511 156.1(4) . .
P31 Ru1 C551 C511 -130.6(7) . .
C51' Ru1 C551 C541 9.5(7) . .
C52' Ru1 C551 C541 -36.4(15) . .
C55' Ru1 C551 C541 51.8(7) . .
C531 Ru1 C551 C541 38.2(2) . .
C53' Ru1 C551 C541 135.4(10) . .
C54' Ru1 C551 C541 94.5(6) . .
C511 Ru1 C551 C541 116.3(4) . .
C521 Ru1 C551 C541 80.0(3) . .
P71 Ru1 C551 C541 -87.7(4) . .
P31 Ru1 C551 C541 -14.3(8) . .
C52' Ru1 C51' C55' 117.8(8) . .
C541 Ru1 C51' C55' 128(2) . .
C531 Ru1 C51' C55' -12.2(9) . .
C53' Ru1 C51' C55' 80.0(6) . .
C54' Ru1 C51' C55' 37.7(5) . .
C551 Ru1 C51' C55' 99.5(7) . .
C511 Ru1 C51' C55' 60.9(6) . .
C521 Ru1 C51' C55' 20.1(6) . .
P71 Ru1 C51' C55' -165.3(9) . .
P31 Ru1 C51' C55' -89.8(9) . .
C541 Ru1 C51' C52' 10.3(18) . .
C55' Ru1 C51' C52' -117.8(8) . .
C531 Ru1 C51' C52' -130.0(11) . .
C53' Ru1 C51' C52' -37.8(5) . .
C54' Ru1 C51' C52' -80.1(6) . .
C551 Ru1 C51' C52' -18.3(4) . .
C511 Ru1 C51' C52' -56.9(5) . .
C521 Ru1 C51' C52' -97.8(6) . .
P71 Ru1 C51' C52' 76.9(9) . .
P31 Ru1 C51' C52' 152.3(7) . .
C55' C51' C52' C53' 0.00(12) . .
Ru1 C51' C52' C53' 63.6(5) . .
C55' C51' C52' Ru1 -63.6(5) . .
C51' Ru1 C52' C53' -115.7(7) . .
C541 Ru1 C52' C53' -120.5(10) . .
C55' Ru1 C52' C53' -78.8(6) . .
C531 Ru1 C52' C53' -91.6(7) . .
C54' Ru1 C52' C53' -36.8(5) . .
C551 Ru1 C52' C53' 4.9(11) . .
C511 Ru1 C52' C53' -15.6(6) . .
C521 Ru1 C52' C53' -52.4(7) . .
P71 Ru1 C52' C53' 135.5(9) . .
P31 Ru1 C52' C53' -161.6(8) . .
C541 Ru1 C52' C51' -4.8(9) . .
C55' Ru1 C52' C51' 36.9(5) . .
C531 Ru1 C52' C51' 24.1(7) . .
C53' Ru1 C52' C51' 115.7(7) . .
C54' Ru1 C52' C51' 78.9(6) . .
C551 Ru1 C52' C51' 120.6(15) . .
C511 Ru1 C52' C51' 100.1(7) . .
C521 Ru1 C52' C51' 63.3(7) . .
P71 Ru1 C52' C51' -108.9(10) . .
P31 Ru1 C52' C51' -45.9(10) . .
C51' C52' C53' C54' 0.03(12) . .
Ru1 C52' C53' C54' 62.0(5) . .
C51' C52' C53' Ru1 -62.0(5) . .
C51' Ru1 C53' C52' 39.1(5) . .
C541 Ru1 C53' C52' 28.0(7) . .
C55' Ru1 C53' C52' 81.4(6) . .
C531 Ru1 C53' C52' 68.9(7) . .
C54' Ru1 C53' C52' 118.6(7) . .
C551 Ru1 C53' C52' -3.7(9) . .
C511 Ru1 C53' C52' 136.0(14) . .
C521 Ru1 C53' C52' 108.3(8) . .
P71 Ru1 C53' C52' -52.6(9) . .
P31 Ru1 C53' C52' 98(3) . .
C51' Ru1 C53' C54' -79.5(6) . .
C52' Ru1 C53' C54' -118.6(7) . .
C541 Ru1 C53' C54' -90.5(7) . .
C55' Ru1 C53' C54' -37.1(5) . .
C531 Ru1 C53' C54' -49.7(7) . .
C551 Ru1 C53' C54' -122.2(11) . .
C511 Ru1 C53' C54' 17.4(11) . .
C521 Ru1 C53' C54' -10.2(7) . .
P71 Ru1 C53' C54' -171.2(9) . .
P31 Ru1 C53' C54' -21(3) . .
C52' C53' C54' C55' 0.0(2) . .
Ru1 C53' C54' C55' 61.2(5) . .
C52' C53' C54' Ru1 -61.3(5) . .
C51' Ru1 C54' C55' -37.8(5) . .
C52' Ru1 C54' C55' -81.2(6) . .
C541 Ru1 C54' C55' -51.4(7) . .
C531 Ru1 C54' C55' -9.6(7) . .
C53' Ru1 C54' C55' -117.8(7) . .
C551 Ru1 C54' C55' -94.6(7) . .
C511 Ru1 C54' C55' -132.3(11) . .
C521 Ru1 C54' C55' 31.7(16) . .
P71 Ru1 C54' C55' -99(2) . .
P31 Ru1 C54' C55' 56.9(9) . .
C51' Ru1 C54' C53' 80.0(5) . .
C52' Ru1 C54' C53' 36.6(5) . .
C541 Ru1 C54' C53' 66.4(6) . .
C55' Ru1 C54' C53' 117.8(7) . .
C531 Ru1 C54' C53' 108.3(7) . .
C551 Ru1 C54' C53' 23.2(5) . .
C511 Ru1 C54' C53' -14.5(8) . .
C521 Ru1 C54' C53' 149.5(18) . .
P71 Ru1 C54' C53' 18.3(19) . .
P31 Ru1 C54' C53' 174.7(6) . .
C52' C51' C55' C54' 0.0(2) . .
Ru1 C51' C55' C54' -63.0(5) . .
C52' C51' C55' Ru1 63.0(5) . .
C53' C54' C55' C51' 0.0(3) . .
Ru1 C54' C55' C51' 61.5(4) . .
C53' C54' C55' Ru1 -61.5(4) . .
C52' Ru1 C55' C51' -37.8(5) . .
C541 Ru1 C55' C51' -13.3(6) . .
C531 Ru1 C55' C51' 27.4(18) . .
C53' Ru1 C55' C51' -79.5(6) . .
C54' Ru1 C55' C51' -116.6(7) . .
C551 Ru1 C55' C51' -55.4(6) . .
C511 Ru1 C55' C51' -97.3(7) . .
C521 Ru1 C55' C51' -136.6(11) . .
P71 Ru1 C55' C51' 22.4(12) . .
P31 Ru1 C55' C51' 103.7(8) . .
C51' Ru1 C55' C54' 116.6(7) . .
C52' Ru1 C55' C54' 78.9(5) . .
C541 Ru1 C55' C54' 103.3(7) . .
C531 Ru1 C55' C54' 144(2) . .
C53' Ru1 C55' C54' 37.1(5) . .
C551 Ru1 C55' C54' 61.2(5) . .
C511 Ru1 C55' C54' 19.3(5) . .
C521 Ru1 C55' C54' -19.9(7) . .
P71 Ru1 C55' C54' 139.0(10) . .
P31 Ru1 C55' C54' -139.6(8) . .
C542 Ru2 P32 C212 137.22(11) . .
C532 Ru2 P32 C212 101.52(11) . .
C552 Ru2 P32 C212 144.4(2) . .
C512 Ru2 P32 C212 52.41(17) . .
C522 Ru2 P32 C212 65.15(11) . .
P72 Ru2 P32 C212 -132.35(9) . .
Cl22 Ru2 P32 C212 -37.26(9) . .
C542 Ru2 P32 C112 6.90(12) . .
C532 Ru2 P32 C112 -28.80(11) . .
C552 Ru2 P32 C112 14.1(2) . .
C512 Ru2 P32 C112 -77.92(17) . .
C522 Ru2 P32 C112 -65.18(11) . .
P72 Ru2 P32 C112 97.32(9) . .
Cl22 Ru2 P32 C112 -167.59(9) . .
C542 Ru2 P32 C42 -104.27(10) . .
C532 Ru2 P32 C42 -139.97(10) . .
C552 Ru2 P32 C42 -97.05(19) . .
C512 Ru2 P32 C42 170.91(16) . .
C522 Ru2 P32 C42 -176.35(10) . .
P72 Ru2 P32 C42 -13.85(7) . .
Cl22 Ru2 P32 C42 81.24(7) . .
C542 Ru2 P32 P72 -90.43(8) . .
C532 Ru2 P32 P72 -126.13(7) . .
C552 Ru2 P32 P72 -83.20(18) . .
C512 Ru2 P32 P72 -175.24(15) . .
C522 Ru2 P32 P72 -162.50(8) . .
Cl22 Ru2 P32 P72 95.09(2) . .
C542 Ru2 P72 C312 -111.28(11) . .
C532 Ru2 P72 C312 -139.56(12) . .
C552 Ru2 P72 C312 -72.80(12) . .
C512 Ru2 P72 C312 -52.42(14) . .
C522 Ru2 P72 C312 -111.5(2) . .
P32 Ru2 P72 C312 130.88(9) . .
Cl22 Ru2 P72 C312 40.15(9) . .
C542 Ru2 P72 C412 9.47(11) . .
C532 Ru2 P72 C412 -18.81(12) . .
C552 Ru2 P72 C412 47.95(11) . .
C512 Ru2 P72 C412 68.33(13) . .
C522 Ru2 P72 C412 9.2(2) . .
P32 Ru2 P72 C412 -108.37(9) . .
Cl22 Ru2 P72 C412 160.90(8) . .
C542 Ru2 P72 C42 131.71(10) . .
C532 Ru2 P72 C42 103.43(11) . .
C552 Ru2 P72 C42 170.19(10) . .
C512 Ru2 P72 C42 -169.43(12) . .
C522 Ru2 P72 C42 131.5(2) . .
P32 Ru2 P72 C42 13.87(7) . .
Cl22 Ru2 P72 C42 -76.86(7) . .
C542 Ru2 P72 P32 117.84(7) . .
C532 Ru2 P72 P32 89.56(9) . .
C552 Ru2 P72 P32 156.33(8) . .
C512 Ru2 P72 P32 176.71(10) . .
C522 Ru2 P72 P32 117.6(2) . .
Cl22 Ru2 P72 P32 -90.72(2) . .
C212 P32 P72 C312 -8.34(17) . .
C112 P32 P72 C312 144.46(14) . .
C42 P32 P72 C312 56.71(15) . .
Ru2 P32 P72 C312 -103.85(12) . .
C212 P32 P72 C412 -164.94(14) . .
C112 P32 P72 C412 -12.14(12) . .
C42 P32 P72 C412 -99.88(12) . .
Ru2 P32 P72 C412 99.55(8) . .
C212 P32 P72 C42 -65.05(15) . .
C112 P32 P72 C42 87.74(12) . .
Ru2 P32 P72 C42 -160.57(10) . .
C212 P32 P72 Ru2 95.52(12) . .
C112 P32 P72 Ru2 -111.69(8) . .
C42 P32 P72 Ru2 160.57(10) . .
C312 P72 C42 C612 90.13(19) . .
C412 P72 C42 C612 -19.3(2) . .
Ru2 P72 C42 C612 -139.53(17) . .
P32 P72 C42 C612 -123.7(2) . .
C312 P72 C42 C632 -35.32(17) . .
C412 P72 C42 C632 -144.76(14) . .
Ru2 P72 C42 C632 95.02(14) . .
P32 P72 C42 C632 110.83(17) . .
C312 P72 C42 P32 -146.15(9) . .
C412 P72 C42 P32 104.41(10) . .
Ru2 P72 C42 P32 -15.81(8) . .
C212 P32 C42 C612 -92.92(18) . .
C112 P32 C42 C612 17.6(2) . .
Ru2 P32 C42 C612 141.29(16) . .
P72 P32 C42 C612 125.5(2) . .
C212 P32 C42 C632 34.51(18) . .
C112 P32 C42 C632 145.02(16) . .
Ru2 P32 C42 C632 -91.28(15) . .
P72 P32 C42 C632 -107.07(18) . .
C212 P32 C42 P72 141.58(9) . .
C112 P32 C42 P72 -107.91(10) . .
Ru2 P32 C42 P72 15.79(8) . .
C212 P32 C112 C162 -162.32(19) . .
C42 P32 C112 C162 82.6(2) . .
Ru2 P32 C112 C162 -25.2(2) . .
P72 P32 C112 C162 35.3(2) . .
C212 P32 C112 C122 22.6(2) . .
C42 P32 C112 C122 -92.5(2) . .
Ru2 P32 C112 C122 159.72(18) . .
P72 P32 C112 C122 -139.79(19) . .
C162 C112 C122 C132 -0.9(4) . .
P32 C112 C122 C132 174.2(2) . .
C112 C122 C132 C142 -0.8(4) . .
C122 C132 C142 C152 1.2(5) . .
C132 C142 C152 C162 0.2(5) . .
C142 C152 C162 C112 -2.0(4) . .
C122 C112 C162 C152 2.3(4) . .
P32 C112 C162 C152 -173.0(2) . .
C112 P32 C212 C222 110.51(19) . .
C42 P32 C212 C222 -138.74(18) . .
Ru2 P32 C212 C222 -26.7(2) . .
P72 P32 C212 C222 -95.26(19) . .
C112 P32 C212 C262 -69.2(2) . .
C42 P32 C212 C262 41.6(2) . .
Ru2 P32 C212 C262 153.59(17) . .
P72 P32 C212 C262 85.1(2) . .
C262 C212 C222 C232 1.7(4) . .
P32 C212 C222 C232 -178.03(19) . .
C212 C222 C232 C242 -1.0(4) . .
C222 C232 C242 C252 -0.5(4) . .
C232 C242 C252 C262 1.3(4) . .
C242 C252 C262 C212 -0.6(4) . .
C222 C212 C262 C252 -0.9(4) . .
P32 C212 C262 C252 178.79(19) . .
C412 P72 C312 C362 -125.53(19) . .
C42 P72 C312 C362 113.92(19) . .
Ru2 P72 C312 C362 1.2(2) . .
P32 P72 C312 C362 75.4(2) . .
C412 P72 C312 C322 52.7(2) . .
C42 P72 C312 C322 -67.9(2) . .
Ru2 P72 C312 C322 179.36(15) . .
P32 P72 C312 C322 -106.45(18) . .
C362 C312 C322 C332 0.6(3) . .
P72 C312 C322 C332 -177.58(18) . .
C312 C322 C332 C342 -0.1(4) . .
C322 C332 C342 C352 -0.1(4) . .
C332 C342 C352 C362 -0.2(4) . .
C322 C312 C362 C352 -0.9(3) . .
P72 C312 C362 C352 177.26(17) . .
C342 C352 C362 C312 0.7(4) . .
C312 P72 C412 C462 -129.3(2) . .
C42 P72 C412 C462 -15.5(3) . .
Ru2 P72 C412 C462 96.1(2) . .
P32 P72 C412 C462 35.8(2) . .
C312 P72 C412 C422 58.03(19) . .
C42 P72 C412 C422 171.90(17) . .
Ru2 P72 C412 C422 -76.48(18) . .
P32 P72 C412 C422 -136.84(16) . .
C462 C412 C422 C432 -1.5(4) . .
P72 C412 C422 C432 172.0(2) . .
C412 C422 C432 C442 -0.7(4) . .
C422 C432 C442 C452 2.0(4) . .
C432 C442 C452 C462 -1.1(4) . .
C422 C412 C462 C452 2.4(4) . .
P72 C412 C462 C452 -169.9(2) . .
C442 C452 C462 C412 -1.2(4) . .
C542 Ru2 C512 C552 38.34(16) . .
C532 Ru2 C512 C552 81.66(17) . .
C522 Ru2 C512 C552 119.6(2) . .
P72 Ru2 C512 C552 -34.5(2) . .
P32 Ru2 C512 C552 138.93(16) . .
Cl22 Ru2 C512 C552 -130.20(16) . .
C542 Ru2 C512 C522 -81.26(17) . .
C532 Ru2 C512 C522 -37.94(15) . .
C552 Ru2 C512 C522 -119.6(2) . .
P72 Ru2 C512 C522 -154.08(12) . .
P32 Ru2 C512 C522 19.3(2) . .
Cl22 Ru2 C512 C522 110.21(15) . .
C552 C512 C522 C532 -1.3(3) . .
Ru2 C512 C522 C532 60.32(16) . .
C552 C512 C522 Ru2 -61.63(17) . .
C542 Ru2 C522 C512 78.83(17) . .
C532 Ru2 C522 C512 116.9(2) . .
C552 Ru2 C522 C512 35.86(16) . .
P72 Ru2 C522 C512 79.1(3) . .
P32 Ru2 C522 C512 -169.94(13) . .
Cl22 Ru2 C522 C512 -72.24(15) . .
C542 Ru2 C522 C532 -38.07(15) . .
C552 Ru2 C522 C532 -81.04(17) . .
C512 Ru2 C522 C532 -116.9(2) . .
P72 Ru2 C522 C532 -37.8(3) . .
P32 Ru2 C522 C532 73.16(15) . .
Cl22 Ru2 C522 C532 170.86(14) . .
C512 C522 C532 C542 0.5(3) . .
Ru2 C522 C532 C542 62.30(16) . .
C512 C522 C532 Ru2 -61.80(16) . .
C552 Ru2 C532 C542 -38.28(15) . .
C512 Ru2 C532 C542 -79.71(17) . .
C522 Ru2 C532 C542 -117.0(2) . .
P72 Ru2 C532 C542 49.33(17) . .
P32 Ru2 C532 C542 124.30(14) . .
Cl22 Ru2 C532 C542 -130.25(13) . .
C542 Ru2 C532 C522 117.0(2) . .
C552 Ru2 C532 C522 78.73(16) . .
C512 Ru2 C532 C522 37.30(15) . .
P72 Ru2 C532 C522 166.34(12) . .
P32 Ru2 C532 C522 -118.69(14) . .
Cl22 Ru2 C532 C522 -13.2(2) . .
C522 C532 C542 C552 0.5(3) . .
Ru2 C532 C542 C552 64.64(16) . .
C522 C532 C542 Ru2 -64.19(16) . .
C552 Ru2 C542 C532 116.2(2) . .
C512 Ru2 C542 C532 79.23(16) . .
C522 Ru2 C542 C532 37.50(15) . .
P72 Ru2 C542 C532 -142.42(14) . .
P32 Ru2 C542 C532 -68.42(15) . .
Cl22 Ru2 C542 C532 101.17(17) . .
C532 Ru2 C542 C552 -116.2(2) . .
C512 Ru2 C542 C552 -36.95(15) . .
C522 Ru2 C542 C552 -78.68(16) . .
P72 Ru2 C542 C552 101.40(14) . .
P32 Ru2 C542 C552 175.41(12) . .
Cl22 Ru2 C542 C552 -15.0(2) . .
C522 C512 C552 C542 1.6(3) . .
Ru2 C512 C552 C542 -60.18(16) . .
C522 C512 C552 Ru2 61.76(17) . .
C532 C542 C552 C512 -1.2(3) . .
Ru2 C542 C552 C512 62.16(17) . .
C532 C542 C552 Ru2 -63.39(16) . .
C542 Ru2 C552 C512 -116.9(2) . .
C532 Ru2 C552 C512 -78.55(17) . .
C522 Ru2 C552 C512 -36.12(16) . .
P72 Ru2 C552 C512 156.35(15) . .
P32 Ru2 C552 C512 -127.19(18) . .
Cl22 Ru2 C552 C512 54.63(17) . .
C532 Ru2 C552 C542 38.37(14) . .
C512 Ru2 C552 C542 116.9(2) . .
C522 Ru2 C552 C542 80.80(16) . .
P72 Ru2 C552 C542 -86.73(14) . .
P32 Ru2 C552 C542 -10.3(3) . .
Cl22 Ru2 C552 C542 171.55(13) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 0.500 152 32 ' '
2 0.500 0.500 0.000 152 32 ' '
