Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2003

data_global 

_journal_coden_Cambridge      186


loop_
_publ_author_name
'Helmut Werner'
'Gerhard Henig'
'Michael Schulz'
'Bettina Windmuller'

_publ_contact_author_name     	'Prof Helmut Werner'  
_publ_contact_author_address 
;
Institut fur Anorganische Chemie
der Universitat Wurzberg
Am Hubland
Wurzburg
D-97074
GERMANY
;

_publ_contact_author_phone        '049 931 888 5261'
_publ_contact_author_fax          '049 931 888 4605'
_publ_contact_author_email        helmut.werner@mail.uni-wuerzburg.de
_publ_requested_journal           'J. Chem. Soc., Dalton Trans.'
_publ_requested_coeditor_name     ?

_publ_contact_letter
;
Please consider this CIF submission for publication in 
"J. Chem. Soc., Dalton Trans."
;


_publ_section_title
;
Areneruthenium(II) complexes containing bulky phosphines with 
various functionalities as ligands
;

_publ_section_abstract
;
The dimeric starting materials [Ru((6-arene)Cl2]2 (arene = mes, 
C6Me6) 
react with the functionalized phosphines Pri2PCH2X (X = CH2OMe, 
CO2Me) 
to give the mononuclear compounds [Ru((6-arene)((P-Pri2PCH2X)Cl2] 3-6 
which upon treatment with AgPF6 afford the chelate complexes 
[Ru((6-arene)((2P,O-Pri2PCH2CH2OMe)Cl]PF6 7, 8 and 
[Ru((6-arene){(2P,O-Pri2PCH2C(O)OMe}Cl]PF6 9, 10, respectively. The 
hemi-lability of the chelate bond in 7 and 8 is illustrated by the 
reaction
with 
CO and CNBut yielding the chiral-at-metal compounds 
[Ru((6-arene)((P-Pri2PCH2CH2OMe)(L)Cl]PF6 11-14. The corresponding 
1:1 adducts of 7 and 8 with acetonitrile 15 and 16 are quite labile 
and
easily 
re-generate the chelate precursors. Treatment of 8 (arene = C6Me6) 
with 
Na2CO3 in the presence of water produces the carbonatoruthenium(II) 
derivative [Ru((6-C6Me6)((2O,O-O2C=O)((P-Pri2PCH2CH2OMe)] 17. 
The reaction of 9 (arene = mes) with KOBut leads to the formation of 
the 
uncharged phosphinoester enolate complex 
[Ru((6-mes)((2P,O-Pri2PCH=C(O)OMe)Cl] 18 which in benzene at room 
temperature smoothly rearranges to the phosphinomethanide isomer 
[Ru((6-mes)((2P,C-Pri2PCHCO2Me)Cl] 19. The analogous 
hexamethylbenzene 
compound 20 is obtained as the minor component from 6 (X = CO2Me) and 
NaH/Al2O3 in THF. The major product of the reaction of 5 or 6 with 
NaH/Al2O3

in THF is the corresponding phosphinoacetate complex 
[Ru((6-arene){(2P,O-Pri2PCH2C(=O)O}Cl] 21, 22. The phosphinoester 
enolate 
compound 18 reacts with water by ester hydrolysis to form 21 and with 
phenylisocyanate and diphenylketene to afford 
[Ru((6-mes){(2P,O-Pri2PC(C(=O)NHPh)=C(O)OMe}Cl] 24 and 
[Ru((6-mes){(2P,O-Pri2PC(CO2Me)=C(O)-CHPh2}Cl] 25 by insertion of the 
heterocumulene into the enolate C-H bond. The molecular structures of 
19 and

25 were determined crystallographically.
;

_publ_section_exptl_prep
;
Crystals were grown from hexane.
;

_publ_section_exptl_refinement
;

;


_exptl_absorpt_process_details  
;
empirical absorption correction by psi-scans from XXX reflections 
with chi-angles near 90 degrees
;


data_gh5bw 

_database_code_CSD	193365


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum             'C32 H40 Cl O3 P Ru' 
_chemical_formula_weight          640.13 

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' 
'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' 
'Ru'  'Ru'  -1.2594   0.8363 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            monoclinic
_symmetry_space_group_name_H-M    P21/n
_symmetry_Int_Tables_number       14

loop_ 
_symmetry_equiv_pos_as_xyz 
'x, y, z' 
'x+1/2, -y+1/2, z+1/2' 
'-x, -y, -z' 
'-x-1/2, y-1/2, -z-1/2' 

_cell_length_a                    12.472(8) 
_cell_length_b                    14.435(7) 
_cell_length_c                    17.992(11) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  104.81(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      3132(3) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     23 
_cell_measurement_theta_min       10 
_cell_measurement_theta_max       14 

_exptl_crystal_description        prisms 
_exptl_crystal_colour             orange 
_exptl_crystal_size_max           0.28 
_exptl_crystal_size_mid           0.23 
_exptl_crystal_size_min           0.20 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.358 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1328 
_exptl_absorpt_coefficient_mu     0.667 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.84 
_exptl_absorpt_correction_T_max   1.00 
_exptl_absorpt_process_details    ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'CAD4 (Enraf-Nonius)' 
_diffrn_measurement_method        omega-theta-scans 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          2 
_diffrn_standards_interval_count  3600 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         3.5 
_diffrn_reflns_number             5126 
_diffrn_reflns_av_R_equivalents   0.0677 
_diffrn_reflns_av_sigmaI/netI     0.1297 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        16 
_diffrn_reflns_limit_l_min        -20 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          2.20 
_diffrn_reflns_theta_max          23.98 
_reflns_number_total              4880 
_reflns_number_gt                 2675 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        'CAD4 (Enraf-Nonius)'
_computing_cell_refinement        'CAD4 (Enraf-Nonius)' 
_computing_data_reduction         'BEGIN (SDP)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'ZORTEP (Zsolnai)'
_computing_publication_material   ? 

_refine_special_details 
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor 
wR and 
goodness of fit S are based on F^2^, conventional R-factors R are 
based 
on F, with F set to zero for negative F^2^. The threshold expression 
of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. 
and is 
not relevant to the choice of reflections for refinement.  R-factors 
based 
on F^2^ are statistically about twice as large as those based on F, 
and R- 
factors based on ALL data will be even larger. 
; 

_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
;
calc w=1/[\s^2^(Fo^2^)+(0.0476P)^2^+0.0000P] where 
P=(Fo^2^+2Fc^2^)/3
; 
_atom_sites_solution_primary      Patterson Methods 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          4880 
_refine_ls_number_parameters      351 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1535 
_refine_ls_R_factor_gt            0.0483 
_refine_ls_wR_factor_ref          0.1155 
_refine_ls_wR_factor_gt           0.0926 
_refine_ls_goodness_of_fit_ref    1.001 
_refine_ls_restrained_S_all       1.001 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 

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 
Ru Ru 0.70711(4) 0.17989(3) 0.98842(3) 0.04389(17) Uani 1 1 d . . . 
P P 0.72903(15) 0.31157(12) 1.06623(9) 0.0558(5) Uani 1 1 d . . . 
Cl Cl 0.68949(14) 0.08742(12) 1.09576(9) 0.0620(5) Uani 1 1 d . . . 
O1 O 0.8742(3) 0.1723(3) 1.0403(2) 0.0420(10) Uani 1 1 d . . . 
O2 O 1.0235(6) 0.3741(4) 1.2074(4) 0.154(3) Uani 1 1 d . . . 
O3 O 0.8578(5) 0.4389(3) 1.1806(3) 0.0967(19) Uani 1 1 d . . . 
C1 C 0.8723(5) 0.3040(4) 1.1156(3) 0.0554(18) Uani 1 1 d . . . 
C2 C 0.9256(5) 0.2296(4) 1.0911(3) 0.0450(15) Uani 1 1 d . . . 
C3 C 0.9286(8) 0.3711(5) 1.1715(5) 0.086(3) Uani 1 1 d . . . 
C4 C 0.9011(9) 0.5111(6) 1.2358(5) 0.161(5) Uani 1 1 d . . . 
H4A H 0.9327 0.4838 1.2852 0.241 Uiso 1 1 calc R . . 
H4B H 0.8422 0.5523 1.2393 0.241 Uiso 1 1 calc R . . 
H4C H 0.9573 0.5451 1.2195 0.241 Uiso 1 1 calc R . . 
C5 C 1.0501(5) 0.2114(4) 1.1202(3) 0.0507(17) Uani 1 1 d . . . 
H5 H 1.0852 0.2678 1.1455 0.061 Uiso 1 1 calc R . . 
C6 C 1.0962(5) 0.1924(4) 1.0520(3) 0.0514(16) Uani 1 1 d . . . 
C7 C 1.0744(6) 0.1325(4) 1.1794(3) 0.0485(16) Uani 1 1 d . . . 
C8 C 1.0899(5) 0.1056(5) 1.0187(4) 0.0545(17) Uani 1 1 d . . . 
H8 H 1.0599 0.0571 1.0408 0.065 Uiso 1 1 calc R . . 
C9 C 1.1263(6) 0.0884(6) 0.9542(4) 0.070(2) Uani 1 1 d . . . 
H9 H 1.1203 0.0293 0.9329 0.084 Uiso 1 1 calc R . . 
C10 C 1.1713(7) 0.1589(7) 0.9214(5) 0.094(3) Uani 1 1 d . . . 
H10 H 1.1970 0.1477 0.8781 0.113 Uiso 1 1 calc R . . 
C11 C 1.1783(7) 0.2453(7) 0.9521(6) 0.104(3) Uani 1 1 d . . . 
H11 H 1.2081 0.2932 0.9291 0.125 Uiso 1 1 calc R . . 
C12 C 1.1409(6) 0.2633(5) 1.0184(5) 0.085(2) Uani 1 1 d . . . 
H12 H 1.1464 0.3227 1.0392 0.102 Uiso 1 1 calc R . . 
C13 C 1.1839(6) 0.1074(5) 1.2111(3) 0.0634(19) Uani 1 1 d . . . 
H13 H 1.2401 0.1394 1.1966 0.076 Uiso 1 1 calc R . . 
C14 C 1.2113(8) 0.0363(6) 1.2635(4) 0.081(3) Uani 1 1 d . . . 
H14 H 1.2853 0.0198 1.2829 0.097 Uiso 1 1 calc R . . 
C15 C 1.1312(9) -0.0099(5) 1.2872(4) 0.088(3) Uani 1 1 d . . . 
H15 H 1.1497 -0.0569 1.3236 0.105 Uiso 1 1 calc R . . 
C16 C 1.0225(8) 0.0140(5) 1.2565(4) 0.090(3) Uani 1 1 d . . . 
H16 H 0.9671 -0.0180 1.2718 0.108 Uiso 1 1 calc R . . 
C17 C 0.9931(6) 0.0858(5) 1.2025(4) 0.0665(19) Uani 1 1 d . . . 
H17 H 0.9189 0.1015 1.1826 0.080 Uiso 1 1 calc R . . 
C18 C 0.7071(6) 0.4210(4) 1.0091(4) 0.066(2) Uani 1 1 d . . . 
H18 H 0.6503 0.4070 0.9618 0.079 Uiso 1 1 calc R . . 
C19 C 0.6452(7) 0.3259(6) 1.1366(4) 0.081(2) Uani 1 1 d . . . 
H19 H 0.6463 0.3919 1.1495 0.097 Uiso 1 1 calc R . . 
C20 C 0.6651(7) 0.5070(5) 1.0440(5) 0.099(3) Uani 1 1 d . . . 
H20A H 0.7163 0.5222 1.0921 0.148 Uiso 1 1 calc R . . 
H20B H 0.5936 0.4941 1.0525 0.148 Uiso 1 1 calc R . . 
H20C H 0.6591 0.5584 1.0093 0.148 Uiso 1 1 calc R . . 
C21 C 0.8129(7) 0.4445(5) 0.9840(4) 0.088(3) Uani 1 1 d . . . 
H21A H 0.7967 0.4918 0.9453 0.132 Uiso 1 1 calc R . . 
H21B H 0.8390 0.3900 0.9636 0.132 Uiso 1 1 calc R . . 
H21C H 0.8689 0.4663 1.0276 0.132 Uiso 1 1 calc R . . 
C22 C 0.5265(7) 0.2999(6) 1.1010(5) 0.104(3) Uani 1 1 d . . . 
H22A H 0.5227 0.2363 1.0851 0.156 Uiso 1 1 calc R . . 
H22B H 0.4969 0.3386 1.0572 0.156 Uiso 1 1 calc R . . 
H22C H 0.4839 0.3082 1.1381 0.156 Uiso 1 1 calc R . . 
C23 C 0.6927(8) 0.2726(6) 1.2124(4) 0.114(3) Uani 1 1 d . . . 
H23A H 0.6414 0.2760 1.2440 0.172 Uiso 1 1 calc R . . 
H23B H 0.7621 0.2997 1.2392 0.172 Uiso 1 1 calc R . . 
H23C H 0.7042 0.2089 1.2011 0.172 Uiso 1 1 calc R . . 
C24 C 0.7440(5) 0.1839(5) 0.8759(3) 0.0489(15) Uani 1 1 d . . . 
C25 C 0.7249(5) 0.0894(4) 0.8905(3) 0.0502(16) Uani 1 1 d . . . 
H25 H 0.7788 0.0460 0.8878 0.060 Uiso 1 1 calc R . . 
C26 C 0.6304(5) 0.0600(4) 0.9084(3) 0.0504(16) Uani 1 1 d . . . 
C27 C 0.5512(6) 0.1291(5) 0.9143(4) 0.0570(18) Uani 1 1 d . . . 
H27 H 0.4907 0.1121 0.9325 0.068 Uiso 1 1 calc R . . 
C28 C 0.5611(6) 0.2212(5) 0.8937(4) 0.0549(18) Uani 1 1 d . . . 
C29 C 0.6586(5) 0.2476(4) 0.8753(3) 0.0523(17) Uani 1 1 d . . . 
H29 H 0.6674 0.3090 0.8624 0.063 Uiso 1 1 calc R . . 
C30 C 0.8509(5) 0.2118(5) 0.8587(4) 0.067(2) Uani 1 1 d . . . 
H30A H 0.8549 0.2781 0.8568 0.101 Uiso 1 1 calc R . . 
H30B H 0.8542 0.1863 0.8100 0.101 Uiso 1 1 calc R . . 
H30C H 0.9120 0.1887 0.8983 0.101 Uiso 1 1 calc R . . 
C31 C 0.6125(5) -0.0394(4) 0.9280(4) 0.070(2) Uani 1 1 d . . . 
H31A H 0.6629 -0.0785 0.9102 0.106 Uiso 1 1 calc R . . 
H31B H 0.5376 -0.0572 0.9037 0.106 Uiso 1 1 calc R . . 
H31C H 0.6256 -0.0456 0.9827 0.106 Uiso 1 1 calc R . . 
C32 C 0.4662(6) 0.2889(5) 0.8876(4) 0.075(2) Uani 1 1 d . . . 
H32A H 0.4214 0.2903 0.8356 0.113 Uiso 1 1 calc R . . 
H32B H 0.4954 0.3496 0.9023 0.113 Uiso 1 1 calc R . . 
H32C H 0.4216 0.2695 0.9211 0.113 Uiso 1 1 calc R . . 

loop_ 
_atom_site_aniso_label 
_atom_site_aniso_U_11 
_atom_site_aniso_U_22 
_atom_site_aniso_U_33 
_atom_site_aniso_U_23 
_atom_site_aniso_U_13 
_atom_site_aniso_U_12 
Ru 0.0480(3) 0.0425(3) 0.0423(3) 0.0005(3) 0.0134(2) 0.0076(3) 
P 0.0711(12) 0.0488(10) 0.0454(9) -0.0029(9) 0.0112(9) 0.0233(10) 
Cl 0.0647(11) 0.0693(12) 0.0557(10) 0.0163(9) 0.0223(9) 0.0078(10) 
O1 0.054(3) 0.036(2) 0.035(2) -0.011(2) 0.0096(19) 0.002(2) 
O2 0.123(5) 0.126(5) 0.156(6) -0.097(5) -0.068(5) 0.062(4) 
O3 0.124(5) 0.070(3) 0.072(3) -0.034(3) -0.018(3) 0.048(3) 
C1 0.080(5) 0.048(4) 0.034(3) -0.009(3) 0.006(3) 0.021(4) 
C2 0.058(4) 0.043(4) 0.032(3) 0.004(3) 0.008(3) 0.008(3) 
C3 0.101(7) 0.073(5) 0.067(5) -0.019(4) -0.007(5) 0.042(5) 
C4 0.192(11) 0.120(8) 0.124(8) -0.094(7) -0.044(7) 0.066(8) 
C5 0.059(4) 0.036(4) 0.051(4) -0.014(3) 0.003(3) 0.004(3) 
C6 0.045(4) 0.052(4) 0.054(4) 0.008(4) 0.007(3) 0.006(3) 
C7 0.060(4) 0.039(4) 0.041(4) -0.015(3) 0.004(3) 0.013(3) 
C8 0.055(4) 0.055(4) 0.056(4) -0.002(4) 0.019(3) 0.005(3) 
C9 0.071(5) 0.083(6) 0.059(5) 0.000(4) 0.023(4) 0.009(4) 
C10 0.090(6) 0.127(8) 0.077(6) 0.017(6) 0.045(5) 0.019(6) 
C11 0.097(7) 0.107(8) 0.120(8) 0.050(7) 0.048(6) -0.013(6) 
C12 0.085(6) 0.064(5) 0.111(7) 0.011(5) 0.036(5) -0.017(5) 
C13 0.066(5) 0.079(5) 0.042(4) -0.014(4) 0.009(4) 0.011(4) 
C14 0.100(7) 0.090(6) 0.042(4) -0.010(4) -0.001(4) 0.044(6) 
C15 0.137(9) 0.061(5) 0.051(5) 0.008(4) -0.001(6) 0.015(6) 
C16 0.113(7) 0.078(6) 0.068(5) 0.019(5) 0.004(5) -0.009(5) 
C17 0.075(5) 0.057(5) 0.060(5) 0.003(4) 0.004(4) 0.004(4) 
C18 0.084(5) 0.044(4) 0.057(5) -0.007(3) -0.003(4) 0.014(4) 
C19 0.106(6) 0.076(5) 0.067(5) -0.010(5) 0.034(5) 0.037(5) 
C20 0.117(7) 0.050(4) 0.107(6) -0.015(4) -0.012(5) 0.043(5) 
C21 0.118(7) 0.060(5) 0.073(5) 0.019(4) 0.001(5) 0.010(5) 
C22 0.113(7) 0.103(7) 0.117(7) 0.004(6) 0.069(6) 0.042(6) 
C23 0.170(9) 0.121(7) 0.068(6) -0.006(5) 0.058(6) 0.040(7) 
C24 0.060(4) 0.051(4) 0.035(3) 0.000(3) 0.012(3) -0.008(4) 
C25 0.063(5) 0.049(4) 0.039(4) -0.002(3) 0.014(3) 0.006(4) 
C26 0.050(4) 0.051(4) 0.047(4) 0.000(3) 0.007(3) -0.001(3) 
C27 0.060(5) 0.060(5) 0.051(4) 0.003(4) 0.014(4) 0.001(4) 
C28 0.052(4) 0.062(4) 0.049(4) 0.000(4) 0.009(3) 0.013(4) 
C29 0.061(5) 0.043(4) 0.049(4) 0.002(3) 0.007(3) 0.001(4) 
C30 0.070(5) 0.071(5) 0.065(4) -0.005(4) 0.023(4) -0.009(4) 
C31 0.072(5) 0.050(4) 0.082(5) 0.003(4) 0.007(4) -0.005(4) 
C32 0.068(5) 0.081(5) 0.068(5) 0.007(4) 0.003(4) 0.018(4) 

_geom_special_details 
; 
All esds (except the esd in the dihedral angle between two l.s. 
planes) 
are estimated using the full covariance matrix.  The cell esds are 
taken 
into account individually in the estimation of esds in distances, 
angles 
and torsion angles; correlations between esds in cell parameters are 
only 
used when they are defined by crystal symmetry.  An approximate 
(isotropic)

treatment of cell esds is used for estimating esds involving l.s. 
planes. 
; 

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 
Ru O1 2.057(4) . ? 
Ru C27 2.184(7) . ? 
Ru C24 2.189(6) . ? 
Ru C29 2.198(6) . ? 
Ru C28 2.233(6) . ? 
Ru C25 2.249(6) . ? 
Ru C26 2.298(6) . ? 
Ru P 2.3349(19) . ? 
Ru Cl 2.404(2) . ? 
P C1 1.784(7) . ? 
P C19 1.847(7) . ? 
P C18 1.867(7) . ? 
O1 C2 1.277(6) . ? 
O2 C3 1.195(9) . ? 
O3 C3 1.356(8) . ? 
O3 C4 1.445(8) . ? 
C1 C2 1.392(8) . ? 
C1 C3 1.443(9) . ? 
C2 C5 1.530(8) . ? 
C5 C6 1.508(8) . ? 
C5 C7 1.535(8) . ? 
C6 C12 1.379(9) . ? 
C6 C8 1.382(8) . ? 
C7 C17 1.368(9) . ? 
C7 C13 1.387(8) . ? 
C8 C9 1.373(8) . ? 
C9 C10 1.366(10) . ? 
C10 C11 1.358(11) . ? 
C11 C12 1.411(11) . ? 
C13 C14 1.377(9) . ? 
C14 C15 1.357(10) . ? 
C15 C16 1.371(10) . ? 
C16 C17 1.403(9) . ? 
C18 C21 1.537(9) . ? 
C18 C20 1.543(9) . ? 
C19 C22 1.503(10) . ? 
C19 C23 1.547(10) . ? 
C24 C29 1.406(8) . ? 
C24 C25 1.420(8) . ? 
C24 C30 1.498(8) . ? 
C25 C26 1.367(8) . ? 
C26 C27 1.427(8) . ? 
C26 C31 1.507(8) . ? 
C27 C28 1.393(9) . ? 
C28 C29 1.393(9) . ? 
C28 C32 1.517(8) . ? 

loop_ 
_geom_angle_atom_site_label_1 
_geom_angle_atom_site_label_2 
_geom_angle_atom_site_label_3 
_geom_angle 
_geom_angle_site_symmetry_1 
_geom_angle_site_symmetry_3 
_geom_angle_publ_flag 
O1 Ru C27 154.1(2) . . ? 
O1 Ru C24 89.59(19) . . ? 
C27 Ru C24 79.0(2) . . ? 
O1 Ru C29 116.8(2) . . ? 
C27 Ru C29 65.9(2) . . ? 
C24 Ru C29 37.4(2) . . ? 
O1 Ru C28 153.4(2) . . ? 
C27 Ru C28 36.7(2) . . ? 
C24 Ru C28 67.1(2) . . ? 
C29 Ru C28 36.6(2) . . ? 
O1 Ru C25 91.90(19) . . ? 
C27 Ru C25 65.0(2) . . ? 
C24 Ru C25 37.3(2) . . ? 
C29 Ru C25 65.9(2) . . ? 
C28 Ru C25 77.4(2) . . ? 
O1 Ru C26 117.10(19) . . ? 
C27 Ru C26 37.0(2) . . ? 
C24 Ru C26 66.0(2) . . ? 
C29 Ru C26 77.5(2) . . ? 
C28 Ru C26 66.2(2) . . ? 
C25 Ru C26 35.0(2) . . ? 
O1 Ru P 79.71(11) . . ? 
C27 Ru P 126.07(19) . . ? 
C24 Ru P 120.87(18) . . ? 
C29 Ru P 98.93(17) . . ? 
C28 Ru P 100.81(18) . . ? 
C25 Ru P 157.28(18) . . ? 
C26 Ru P 162.76(17) . . ? 
O1 Ru Cl 84.04(11) . . ? 
C27 Ru Cl 93.12(18) . . ? 
C24 Ru Cl 147.34(19) . . ? 
C29 Ru Cl 158.53(18) . . ? 
C28 Ru Cl 122.5(2) . . ? 
C25 Ru Cl 110.77(17) . . ? 
C26 Ru Cl 88.61(17) . . ? 
P Ru Cl 89.49(8) . . ? 
C1 P C19 109.6(3) . . ? 
C1 P C18 108.2(3) . . ? 
C19 P C18 104.7(3) . . ? 
C1 P Ru 101.4(2) . . ? 
C19 P Ru 120.1(3) . . ? 
C18 P Ru 112.4(2) . . ? 
C2 O1 Ru 123.7(4) . . ? 
C3 O3 C4 117.6(7) . . ? 
C2 C1 C3 123.5(6) . . ? 
C2 C1 P 112.8(5) . . ? 
C3 C1 P 123.6(5) . . ? 
O1 C2 C1 122.3(6) . . ? 
O1 C2 C5 114.4(5) . . ? 
C1 C2 C5 123.3(6) . . ? 
O2 C3 O3 119.6(7) . . ? 
O2 C3 C1 129.7(7) . . ? 
O3 C3 C1 110.7(7) . . ? 
C6 C5 C2 108.5(5) . . ? 
C6 C5 C7 112.4(5) . . ? 
C2 C5 C7 111.6(5) . . ? 
C12 C6 C8 117.9(7) . . ? 
C12 C6 C5 120.2(6) . . ? 
C8 C6 C5 121.8(6) . . ? 
C17 C7 C13 118.3(6) . . ? 
C17 C7 C5 123.1(6) . . ? 
C13 C7 C5 118.6(6) . . ? 
C9 C8 C6 122.4(7) . . ? 
C10 C9 C8 119.5(8) . . ? 
C11 C10 C9 120.0(8) . . ? 
C10 C11 C12 120.8(8) . . ? 
C6 C12 C11 119.5(8) . . ? 
C14 C13 C7 121.5(7) . . ? 
C15 C14 C13 120.5(8) . . ? 
C14 C15 C16 118.8(8) . . ? 
C15 C16 C17 121.4(8) . . ? 
C7 C17 C16 119.4(7) . . ? 
C21 C18 C20 110.4(6) . . ? 
C21 C18 P 109.4(5) . . ? 
C20 C18 P 118.3(5) . . ? 
C22 C19 C23 111.4(7) . . ? 
C22 C19 P 110.4(5) . . ? 
C23 C19 P 113.1(5) . . ? 
C29 C24 C25 117.8(6) . . ? 
C29 C24 C30 122.4(6) . . ? 
C25 C24 C30 119.8(6) . . ? 
C29 C24 Ru 71.6(3) . . ? 
C25 C24 Ru 73.6(3) . . ? 
C30 C24 Ru 127.3(4) . . ? 
C26 C25 C24 122.6(6) . . ? 
C26 C25 Ru 74.5(4) . . ? 
C24 C25 Ru 69.1(3) . . ? 
C25 C26 C27 117.0(6) . . ? 
C25 C26 C31 122.7(6) . . ? 
C27 C26 C31 120.1(6) . . ? 
C25 C26 Ru 70.6(4) . . ? 
C27 C26 Ru 67.2(4) . . ? 
C31 C26 Ru 129.3(4) . . ? 
C28 C27 C26 122.6(6) . . ? 
C28 C27 Ru 73.5(4) . . ? 
C26 C27 Ru 75.8(4) . . ? 
C29 C28 C27 117.8(6) . . ? 
C29 C28 C32 121.3(7) . . ? 
C27 C28 C32 120.9(7) . . ? 
C29 C28 Ru 70.3(4) . . ? 
C27 C28 Ru 69.7(4) . . ? 
C32 C28 Ru 134.1(5) . . ? 
C28 C29 C24 121.7(6) . . ? 
C28 C29 Ru 73.1(4) . . ? 
C24 C29 Ru 71.0(3) . . ? 

loop_ 
_geom_torsion_atom_site_label_1 
_geom_torsion_atom_site_label_2 
_geom_torsion_atom_site_label_3 
_geom_torsion_atom_site_label_4 
_geom_torsion 
_geom_torsion_site_symmetry_1 
_geom_torsion_site_symmetry_2 
_geom_torsion_site_symmetry_3 
_geom_torsion_site_symmetry_4 
_geom_torsion_publ_flag 
O1 Ru P C1 -2.7(2) . . . . ? 
C27 Ru P C1 174.9(3) . . . . ? 
C24 Ru P C1 -85.9(3) . . . . ? 
C29 Ru P C1 -118.5(3) . . . . ? 
C28 Ru P C1 -155.6(3) . . . . ? 
C25 Ru P C1 -72.4(5) . . . . ? 
C26 Ru P C1 165.0(6) . . . . ? 
Cl Ru P C1 81.4(2) . . . . ? 
O1 Ru P C19 -123.5(3) . . . . ? 
C27 Ru P C19 54.0(4) . . . . ? 
C24 Ru P C19 153.2(3) . . . . ? 
C29 Ru P C19 120.7(3) . . . . ? 
C28 Ru P C19 83.5(3) . . . . ? 
C25 Ru P C19 166.7(5) . . . . ? 
C26 Ru P C19 44.2(6) . . . . ? 
Cl Ru P C19 -39.5(3) . . . . ? 
O1 Ru P C18 112.7(3) . . . . ? 
C27 Ru P C18 -69.8(4) . . . . ? 
C24 Ru P C18 29.4(3) . . . . ? 
C29 Ru P C18 -3.1(3) . . . . ? 
C28 Ru P C18 -40.2(3) . . . . ? 
C25 Ru P C18 43.0(5) . . . . ? 
C26 Ru P C18 -79.6(6) . . . . ? 
Cl Ru P C18 -163.2(3) . . . . ? 
C27 Ru O1 C2 -173.1(5) . . . . ? 
C24 Ru O1 C2 123.9(4) . . . . ? 
C29 Ru O1 C2 97.2(4) . . . . ? 
C28 Ru O1 C2 96.0(6) . . . . ? 
C25 Ru O1 C2 161.1(4) . . . . ? 
C26 Ru O1 C2 -173.6(4) . . . . ? 
P Ru O1 C2 2.4(4) . . . . ? 
Cl Ru O1 C2 -88.2(4) . . . . ? 
C19 P C1 C2 131.3(5) . . . . ? 
C18 P C1 C2 -115.1(5) . . . . ? 
Ru P C1 C2 3.3(5) . . . . ? 
C19 P C1 C3 -52.5(7) . . . . ? 
C18 P C1 C3 61.1(7) . . . . ? 
Ru P C1 C3 179.5(6) . . . . ? 
Ru O1 C2 C1 -0.7(8) . . . . ? 
Ru O1 C2 C5 -178.8(3) . . . . ? 
C3 C1 C2 O1 -178.4(6) . . . . ? 
P C1 C2 O1 -2.1(8) . . . . ? 
C3 C1 C2 C5 -0.5(10) . . . . ? 
P C1 C2 C5 175.7(5) . . . . ? 
C4 O3 C3 O2 -1.5(13) . . . . ? 
C4 O3 C3 C1 179.0(7) . . . . ? 
C2 C1 C3 O2 -3.3(15) . . . . ? 
P C1 C3 O2 -179.2(9) . . . . ? 
C2 C1 C3 O3 176.1(6) . . . . ? 
P C1 C3 O3 0.2(10) . . . . ? 
O1 C2 C5 C6 45.4(7) . . . . ? 
C1 C2 C5 C6 -132.6(6) . . . . ? 
O1 C2 C5 C7 -78.9(6) . . . . ? 
C1 C2 C5 C7 103.1(6) . . . . ? 
C2 C5 C6 C12 93.6(7) . . . . ? 
C7 C5 C6 C12 -142.5(6) . . . . ? 
C2 C5 C6 C8 -82.9(7) . . . . ? 
C7 C5 C6 C8 41.0(8) . . . . ? 
C6 C5 C7 C17 -122.5(6) . . . . ? 
C2 C5 C7 C17 -0.4(8) . . . . ? 
C6 C5 C7 C13 57.6(7) . . . . ? 
C2 C5 C7 C13 179.8(5) . . . . ? 
C12 C6 C8 C9 0.0(10) . . . . ? 
C5 C6 C8 C9 176.5(6) . . . . ? 
C6 C8 C9 C10 0.5(10) . . . . ? 
C8 C9 C10 C11 -0.9(13) . . . . ? 
C9 C10 C11 C12 0.8(14) . . . . ? 
C8 C6 C12 C11 0.0(11) . . . . ? 
C5 C6 C12 C11 -176.6(7) . . . . ? 
C10 C11 C12 C6 -0.4(13) . . . . ? 
C17 C7 C13 C14 1.2(9) . . . . ? 
C5 C7 C13 C14 -179.0(5) . . . . ? 
C7 C13 C14 C15 -1.7(10) . . . . ? 
C13 C14 C15 C16 1.6(12) . . . . ? 
C14 C15 C16 C17 -1.1(12) . . . . ? 
C13 C7 C17 C16 -0.6(9) . . . . ? 
C5 C7 C17 C16 179.5(6) . . . . ? 
C15 C16 C17 C7 0.6(11) . . . . ? 
C1 P C18 C21 30.8(5) . . . . ? 
C19 P C18 C21 147.6(5) . . . . ? 
Ru P C18 C21 -80.4(5) . . . . ? 
C1 P C18 C20 -96.8(6) . . . . ? 
C19 P C18 C20 20.0(7) . . . . ? 
Ru P C18 C20 152.0(5) . . . . ? 
C1 P C19 C22 -160.5(5) . . . . ? 
C18 P C19 C22 83.6(6) . . . . ? 
Ru P C19 C22 -43.8(6) . . . . ? 
C1 P C19 C23 -34.9(7) . . . . ? 
C18 P C19 C23 -150.8(6) . . . . ? 
Ru P C19 C23 81.8(7) . . . . ? 
O1 Ru C24 C29 -138.8(4) . . . . ? 
C27 Ru C24 C29 64.6(4) . . . . ? 
C28 Ru C24 C29 28.1(4) . . . . ? 
C25 Ru C24 C29 127.6(5) . . . . ? 
C26 Ru C24 C29 101.1(4) . . . . ? 
P Ru C24 C29 -61.0(4) . . . . ? 
Cl Ru C24 C29 143.0(3) . . . . ? 
O1 Ru C24 C25 93.7(4) . . . . ? 
C27 Ru C24 C25 -63.0(4) . . . . ? 
C29 Ru C24 C25 -127.6(5) . . . . ? 
C28 Ru C24 C25 -99.5(4) . . . . ? 
C26 Ru C24 C25 -26.4(3) . . . . ? 
P Ru C24 C25 171.4(3) . . . . ? 
Cl Ru C24 C25 15.4(5) . . . . ? 
O1 Ru C24 C30 -21.6(6) . . . . ? 
C27 Ru C24 C30 -178.2(6) . . . . ? 
C29 Ru C24 C30 117.2(7) . . . . ? 
C28 Ru C24 C30 145.3(7) . . . . ? 
C25 Ru C24 C30 -115.3(7) . . . . ? 
C26 Ru C24 C30 -141.7(6) . . . . ? 
P Ru C24 C30 56.2(6) . . . . ? 
Cl Ru C24 C30 -99.8(6) . . . . ? 
C29 C24 C25 C26 -4.1(9) . . . . ? 
C30 C24 C25 C26 178.3(5) . . . . ? 
Ru C24 C25 C26 54.2(5) . . . . ? 
C29 C24 C25 Ru -58.3(5) . . . . ? 
C30 C24 C25 Ru 124.0(5) . . . . ? 
O1 Ru C25 C26 138.4(4) . . . . ? 
C27 Ru C25 C26 -29.5(4) . . . . ? 
C24 Ru C25 C26 -134.8(6) . . . . ? 
C29 Ru C25 C26 -103.0(4) . . . . ? 
C28 Ru C25 C26 -66.2(4) . . . . ? 
P Ru C25 C26 -154.2(3) . . . . ? 
Cl Ru C25 C26 54.0(4) . . . . ? 
O1 Ru C25 C24 -86.8(4) . . . . ? 
C27 Ru C25 C24 105.3(4) . . . . ? 
C29 Ru C25 C24 31.8(4) . . . . ? 
C28 Ru C25 C24 68.6(4) . . . . ? 
C26 Ru C25 C24 134.8(6) . . . . ? 
P Ru C25 C24 -19.4(7) . . . . ? 
Cl Ru C25 C24 -171.2(3) . . . . ? 
C24 C25 C26 C27 -1.8(9) . . . . ? 
Ru C25 C26 C27 50.1(5) . . . . ? 
C24 C25 C26 C31 -176.7(6) . . . . ? 
Ru C25 C26 C31 -124.9(6) . . . . ? 
C24 C25 C26 Ru -51.9(5) . . . . ? 
O1 Ru C26 C25 -48.2(4) . . . . ? 
C27 Ru C26 C25 132.2(6) . . . . ? 
C24 Ru C26 C25 28.1(4) . . . . ? 
C29 Ru C26 C25 65.7(4) . . . . ? 
C28 Ru C26 C25 102.5(4) . . . . ? 
P Ru C26 C25 145.4(5) . . . . ? 
Cl Ru C26 C25 -130.8(4) . . . . ? 
O1 Ru C26 C27 179.6(3) . . . . ? 
C24 Ru C26 C27 -104.1(4) . . . . ? 
C29 Ru C26 C27 -66.5(4) . . . . ? 
C28 Ru C26 C27 -29.7(4) . . . . ? 
C25 Ru C26 C27 -132.2(6) . . . . ? 
P Ru C26 C27 13.2(8) . . . . ? 
Cl Ru C26 C27 97.0(4) . . . . ? 
O1 Ru C26 C31 68.6(6) . . . . ? 
C27 Ru C26 C31 -111.0(7) . . . . ? 
C24 Ru C26 C31 144.9(6) . . . . ? 
C29 Ru C26 C31 -177.5(6) . . . . ? 
C28 Ru C26 C31 -140.7(7) . . . . ? 
C25 Ru C26 C31 116.8(7) . . . . ? 
P Ru C26 C31 -97.8(7) . . . . ? 
Cl Ru C26 C31 -14.0(6) . . . . ? 
C25 C26 C27 C28 7.8(9) . . . . ? 
C31 C26 C27 C28 -177.2(6) . . . . ? 
Ru C26 C27 C28 59.5(6) . . . . ? 
C25 C26 C27 Ru -51.7(5) . . . . ? 
C31 C26 C27 Ru 123.4(6) . . . . ? 
O1 Ru C27 C28 -131.6(5) . . . . ? 
C24 Ru C27 C28 -66.3(4) . . . . ? 
C29 Ru C27 C28 -29.4(4) . . . . ? 
C25 Ru C27 C28 -102.8(4) . . . . ? 
C26 Ru C27 C28 -130.8(6) . . . . ? 
P Ru C27 C28 54.0(4) . . . . ? 
Cl Ru C27 C28 145.7(4) . . . . ? 
O1 Ru C27 C26 -0.8(7) . . . . ? 
C24 Ru C27 C26 64.5(4) . . . . ? 
C29 Ru C27 C26 101.4(4) . . . . ? 
C28 Ru C27 C26 130.8(6) . . . . ? 
C25 Ru C27 C26 28.0(3) . . . . ? 
P Ru C27 C26 -175.2(3) . . . . ? 
Cl Ru C27 C26 -83.5(4) . . . . ? 
C26 C27 C28 C29 -7.5(10) . . . . ? 
Ru C27 C28 C29 53.1(5) . . . . ? 
C26 C27 C28 C32 169.4(6) . . . . ? 
Ru C27 C28 C32 -130.1(6) . . . . ? 
C26 C27 C28 Ru -60.5(6) . . . . ? 
O1 Ru C28 C29 1.9(7) . . . . ? 
C27 Ru C28 C29 -131.3(6) . . . . ? 
C24 Ru C28 C29 -28.7(4) . . . . ? 
C25 Ru C28 C29 -66.4(4) . . . . ? 
C26 Ru C28 C29 -101.4(4) . . . . ? 
P Ru C28 C29 90.5(4) . . . . ? 
Cl Ru C28 C29 -173.2(3) . . . . ? 
O1 Ru C28 C27 133.2(5) . . . . ? 
C24 Ru C28 C27 102.6(4) . . . . ? 
C29 Ru C28 C27 131.3(6) . . . . ? 
C25 Ru C28 C27 64.9(4) . . . . ? 
C26 Ru C28 C27 29.9(4) . . . . ? 
P Ru C28 C27 -138.2(4) . . . . ? 
Cl Ru C28 C27 -41.9(4) . . . . ? 
O1 Ru C28 C32 -113.0(7) . . . . ? 
C27 Ru C28 C32 113.8(9) . . . . ? 
C24 Ru C28 C32 -143.5(8) . . . . ? 
C29 Ru C28 C32 -114.9(9) . . . . ? 
C25 Ru C28 C32 178.7(8) . . . . ? 
C26 Ru C28 C32 143.7(8) . . . . ? 
P Ru C28 C32 -24.4(8) . . . . ? 
Cl Ru C28 C32 71.9(8) . . . . ? 
C27 C28 C29 C24 1.2(9) . . . . ? 
C32 C28 C29 C24 -175.7(6) . . . . ? 
Ru C28 C29 C24 53.9(5) . . . . ? 
C27 C28 C29 Ru -52.8(5) . . . . ? 
C32 C28 C29 Ru 130.4(6) . . . . ? 
C25 C24 C29 C28 4.4(9) . . . . ? 
C30 C24 C29 C28 -178.0(6) . . . . ? 
Ru C24 C29 C28 -54.9(5) . . . . ? 
C25 C24 C29 Ru 59.3(5) . . . . ? 
C30 C24 C29 Ru -123.1(5) . . . . ? 
O1 Ru C29 C28 -179.1(3) . . . . ? 
C27 Ru C29 C28 29.5(4) . . . . ? 
C24 Ru C29 C28 133.3(6) . . . . ? 
C25 Ru C29 C28 101.6(4) . . . . ? 
C26 Ru C29 C28 66.7(4) . . . . ? 
P Ru C29 C28 -96.1(4) . . . . ? 
Cl Ru C29 C28 15.9(7) . . . . ? 
O1 Ru C29 C24 47.6(4) . . . . ? 
C27 Ru C29 C24 -103.8(4) . . . . ? 
C28 Ru C29 C24 -133.3(6) . . . . ? 
C25 Ru C29 C24 -31.7(4) . . . . ? 
C26 Ru C29 C24 -66.6(4) . . . . ? 
P Ru C29 C24 130.5(3) . . . . ? 
Cl Ru C29 C24 -117.5(5) . . . . ? 

_diffrn_measured_fraction_theta_max    0.994 
_diffrn_reflns_theta_full              23.98 
_diffrn_measured_fraction_theta_full   0.994 
_refine_diff_density_max    0.342 
_refine_diff_density_min   -0.491 
_refine_diff_density_rms    0.081