Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2001


data_global

_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Chattopadhyay, Swarup'
'Ghosh, Kaushik'
'Pattanayak, Sujay'
'Chakravorty, A.'
	  
_publ_contact_author_name     	'Prof A Chakravorty'  
_publ_contact_author_address 
;
Prof A Chakravorty
Department of Inorganic Chemistry
Indian Association for the Cultivation of Science
Calcutta 700 032
INDIA
;


_publ_contact_author_email       'icac@mahendra.iacs.res.in'

data_598ru   ( 4b.C6H6 )

_database_code_CSD	154175


_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C60 H52 N2 O4 P2 Ru' 
_chemical_formula_weight          1028.05 
_chemical_melting_point           ? 
_chemical_compound_source         ? 

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' 
'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    C2/c 

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

_cell_length_a                    20.966(18) 
_cell_length_b                    15.677(8) 
_cell_length_c                    30.952(26) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  95.70(7) 
_cell_angle_gamma                 90.00 
_cell_volume                      10123.1(132) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     30 
_cell_measurement_theta_min       7
_cell_measurement_theta_max       14 

_exptl_crystal_description        parallelopiped
_exptl_crystal_colour             violet 
_exptl_crystal_size_max           0.40 
_exptl_crystal_size_mid           0.25 
_exptl_crystal_size_min           0.20
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.349 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              4256 
_exptl_absorpt_coefficient_mu     0.423 
_exptl_absorpt_correction_type    'semi-empirical'
_exptl_absorpt_correction_T_min   0.816 
_exptl_absorpt_correction_T_max   0.948 

_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        'Siemens R3m/V' 
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          2 
_diffrn_standards_interval_count  198 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         0 
_diffrn_reflns_number             6986 
_diffrn_reflns_av_R_equivalents   0.0277 
_diffrn_reflns_av_sigmaI/netI     0.0445 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        22 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        16 
_diffrn_reflns_limit_l_min        -33 
_diffrn_reflns_limit_l_max        33 
_diffrn_reflns_theta_min          1.62 
_diffrn_reflns_theta_max          22.55 
_reflns_number_total              6655 
_reflns_number_observed           5093 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 

_refine_special_details 
; 
Refinement on F^2^ for ALL reflections except for 32 with very negative F^2^ 
or flagged by the user for potential systematic errors.  Weighted R-factors 
wR and all goodnesses 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 observed criterion 
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0414P)^2^+28.5332P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      'Patterson heavy atom method'
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          6623 
_refine_ls_number_parameters      619 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0672 
_refine_ls_R_factor_obs           0.0393 
_refine_ls_wR_factor_all          0.1381 
_refine_ls_wR_factor_obs          0.0904 
_refine_ls_goodness_of_fit_all    1.096 
_refine_ls_goodness_of_fit_obs    1.079 
_refine_ls_restrained_S_all       1.424 
_refine_ls_restrained_S_obs       1.079 
_refine_ls_shift/esd_max          0.003 
_refine_ls_shift/esd_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_thermal_displace_type 
_atom_site_occupancy 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_group 
Ru Ru 0.18043(2) 0.04834(2) 0.130425(11) 0.02511(12) Uani 1 d . . 
P1 P 0.07753(5) -0.00968(8) 0.14324(4) 0.0294(3) Uani 1 d . . 
P2 P 0.28112(5) 0.09981(7) 0.11187(4) 0.0280(3) Uani 1 d . . 
N1 N 0.2936(2) -0.0899(2) 0.23967(12) 0.0370(10) Uani 1 d . . 
H1A H 0.2725(2) -0.0505(2) 0.22508(12) 0.044 Uiso 1 calc R . 
N2 N 0.1923(2) 0.1092(2) 0.19537(12) 0.0311(9) Uani 1 d . . 
O1 O 0.22730(13) -0.0547(2) 0.16370(9) 0.0311(7) Uani 1 d . . 
O2 O 0.1148(2) 0.1907(2) 0.08112(12) 0.0548(10) Uani 1 d . . 
O3 O 0.2185(2) 0.0710(3) 0.22631(13) 0.0778(14) Uani 1 d . . 
O4 O 0.1707(2) 0.1797(2) 0.20230(11) 0.0526(10) Uani 1 d . . 
C1 C 0.2336(2) -0.1338(3) 0.15192(15) 0.0296(11) Uani 1 d . . 
C2 C 0.2183(2) -0.1631(3) 0.10835(15) 0.0326(11) Uani 1 d . . 
C3 C 0.2269(2) -0.2492(3) 0.1004(2) 0.0473(14) Uani 1 d . . 
H3A H 0.2157(2) -0.2688(3) 0.0723(2) 0.057 Uiso 1 calc R . 
C4 C 0.2510(3) -0.3086(3) 0.1314(2) 0.0497(14) Uani 1 d . . 
C5 C 0.2668(2) -0.2803(3) 0.1722(2) 0.0456(13) Uani 1 d . . 
H5A H 0.2820(2) -0.3189(3) 0.1936(2) 0.055 Uiso 1 calc R . 
C6 C 0.2607(2) -0.1929(3) 0.1834(2) 0.0357(12) Uani 1 d . . 
C7 C 0.2620(3) -0.4000(3) 0.1181(2) 0.081(2) Uani 1 d . . 
H7A H 0.2476(3) -0.4072(3) 0.0879(2) 0.122 Uiso 1 calc R . 
H7B H 0.2384(3) -0.4377(3) 0.1352(2) 0.122 Uiso 1 calc R . 
H7C H 0.3068(3) -0.4131(3) 0.1229(2) 0.122 Uiso 1 calc R . 
C8 C 0.2879(2) -0.1674(3) 0.2245(2) 0.0407(13) Uani 1 d . . 
H8A H 0.3038(2) -0.2107(3) 0.2431(2) 0.049 Uiso 1 calc R . 
C9 C 0.19561(15) -0.1060(2) 0.07332(10) 0.0379(12) Uani 1 d . . 
H9A H 0.19287(15) -0.1296(2) 0.04562(10) 0.046 Uiso 1 calc R . 
C10 C 0.17807(15) -0.0244(2) 0.07525(10) 0.0333(11) Uani 1 d R . 
H10A H 0.16344(15) 0.0019(2) 0.04919(10) 0.040 Uiso 1 calc R . 
C11 C 0.1405(2) 0.1364(3) 0.10133(15) 0.0320(11) Uani 1 d . . 
C12 C 0.3314(2) -0.0647(3) 0.2782(2) 0.0371(12) Uani 1 d . . 
C13 C 0.3319(3) 0.0205(4) 0.2897(2) 0.0529(15) Uani 1 d . . 
H13A H 0.3069(3) 0.0597(4) 0.2730(2) 0.063 Uiso 1 calc R . 
C14 C 0.3698(3) 0.0467(4) 0.3260(2) 0.062(2) Uani 1 d . . 
H14A H 0.3701(3) 0.1042(4) 0.3334(2) 0.074 Uiso 1 calc R . 
C15 C 0.4072(3) -0.0082(4) 0.3519(2) 0.0523(15) Uani 1 d . . 
C16 C 0.4050(3) -0.0925(4) 0.3401(2) 0.055(2) Uani 1 d . . 
H16A H 0.4291(3) -0.1317(4) 0.3574(2) 0.066 Uiso 1 calc R . 
C17 C 0.3688(2) -0.1209(3) 0.3040(2) 0.0480(14) Uani 1 d . . 
H17A H 0.3693(2) -0.1784(3) 0.2966(2) 0.058 Uiso 1 calc R . 
C18 C 0.4494(3) 0.0231(5) 0.3910(2) 0.087(2) Uani 1 d . . 
H18A H 0.4443(3) 0.0836(5) 0.3939(2) 0.130 Uiso 1 calc R . 
H18B H 0.4933(3) 0.0104(5) 0.3874(2) 0.130 Uiso 1 calc R . 
H18C H 0.4374(3) -0.0048(5) 0.4166(2) 0.130 Uiso 1 calc R . 
C19 C 0.0801(2) -0.1056(3) 0.1767(2) 0.0374(12) Uani 1 d . . 
C20 C 0.0463(3) -0.1799(4) 0.1663(2) 0.063(2) Uani 1 d . . 
H20A H 0.0211(3) -0.1836(4) 0.1399(2) 0.075 Uiso 1 calc R . 
C21 C 0.0493(4) -0.2487(4) 0.1943(3) 0.094(3) Uani 1 d . . 
H21A H 0.0262(4) -0.2981(4) 0.1868(3) 0.113 Uiso 1 calc R . 
C22 C 0.0859(4) -0.2433(5) 0.2324(3) 0.093(2) Uani 1 d . . 
H22A H 0.0882(4) -0.2897(5) 0.2512(3) 0.112 Uiso 1 calc R . 
C23 C 0.1196(3) -0.1714(5) 0.2440(2) 0.073(2) Uani 1 d . . 
H23A H 0.1439(3) -0.1686(5) 0.2708(2) 0.087 Uiso 1 calc R . 
C24 C 0.1178(2) -0.1026(4) 0.2163(2) 0.0480(14) Uani 1 d . . 
H24A H 0.1417(2) -0.0541(4) 0.2240(2) 0.058 Uiso 1 calc R . 
C25 C 0.0247(2) -0.0365(3) 0.09432(15) 0.0351(12) Uani 1 d . . 
C26 C -0.0275(2) 0.0141(3) 0.0809(2) 0.0478(14) Uani 1 d . . 
H26A H -0.0364(2) 0.0618(3) 0.0971(2) 0.057 Uiso 1 calc R . 
C27 C -0.0666(3) -0.0053(4) 0.0437(2) 0.066(2) Uani 1 d . . 
H27A H -0.1014(3) 0.0295(4) 0.0350(2) 0.079 Uiso 1 calc R . 
C28 C -0.0547(3) -0.0749(5) 0.0198(2) 0.075(2) Uani 1 d . . 
H28A H -0.0818(3) -0.0883(5) -0.0049(2) 0.090 Uiso 1 calc R . 
C29 C -0.0032(3) -0.1251(4) 0.0319(2) 0.065(2) Uani 1 d . . 
H29A H 0.0050(3) -0.1724(4) 0.0152(2) 0.078 Uiso 1 calc R . 
C30 C 0.0372(2) -0.1066(4) 0.0690(2) 0.0504(14) Uani 1 d . . 
H30A H 0.0726(2) -0.1410(4) 0.0768(2) 0.060 Uiso 1 calc R . 
C31 C 0.0241(2) 0.0582(3) 0.17169(14) 0.0321(11) Uani 1 d . . 
C32 C -0.0274(2) 0.0235(4) 0.1905(2) 0.0488(14) Uani 1 d . . 
H32A H -0.0325(2) -0.0354(4) 0.1913(2) 0.059 Uiso 1 calc R . 
C33 C -0.0711(3) 0.0757(4) 0.2082(2) 0.061(2) Uani 1 d . . 
H33A H -0.1057(3) 0.0517(4) 0.2205(2) 0.073 Uiso 1 calc R . 
C34 C -0.0638(3) 0.1618(4) 0.2078(2) 0.059(2) Uani 1 d . . 
H34A H -0.0935(3) 0.1967(4) 0.2196(2) 0.071 Uiso 1 calc R . 
C35 C -0.0127(3) 0.1973(4) 0.1899(2) 0.0532(15) Uani 1 d . . 
H35A H -0.0074(3) 0.2562(4) 0.1900(2) 0.064 Uiso 1 calc R . 
C36 C 0.0311(2) 0.1454(3) 0.1716(2) 0.0402(12) Uani 1 d . . 
H36A H 0.0654(2) 0.1698(3) 0.1592(2) 0.048 Uiso 1 calc R . 
C37 C 0.2964(2) 0.0931(3) 0.05462(15) 0.0364(12) Uani 1 d . . 
C38 C 0.2510(3) 0.1286(4) 0.0241(2) 0.0512(14) Uani 1 d . . 
H38A H 0.2130(3) 0.1497(4) 0.0330(2) 0.061 Uiso 1 calc R . 
C39 C 0.2610(3) 0.1333(4) -0.0190(2) 0.067(2) Uani 1 d . . 
H39A H 0.2300(3) 0.1574(4) -0.0389(2) 0.080 Uiso 1 calc R . 
C40 C 0.3168(3) 0.1026(4) -0.0325(2) 0.074(2) Uani 1 d . . 
H40A H 0.3239(3) 0.1058(4) -0.0617(2) 0.089 Uiso 1 calc R . 
C41 C 0.3616(3) 0.0672(5) -0.0031(2) 0.078(2) Uani 1 d . . 
H41A H 0.3993(3) 0.0459(5) -0.0125(2) 0.094 Uiso 1 calc R . 
C42 C 0.3521(3) 0.0624(4) 0.0404(2) 0.057(2) Uani 1 d . . 
H42A H 0.3834(3) 0.0384(4) 0.0600(2) 0.068 Uiso 1 calc R . 
C43 C 0.3024(2) 0.2123(3) 0.12154(15) 0.0330(11) Uani 1 d . . 
C44 C 0.2611(2) 0.2695(3) 0.1377(2) 0.0389(12) Uani 1 d . . 
H44A H 0.2219(2) 0.2507(3) 0.1458(2) 0.047 Uiso 1 calc R . 
C45 C 0.2774(3) 0.3549(3) 0.1422(2) 0.0470(14) Uani 1 d . . 
H45A H 0.2491(3) 0.3931(3) 0.1531(2) 0.056 Uiso 1 calc R . 
C46 C 0.3350(3) 0.3833(3) 0.1305(2) 0.0494(14) Uani 1 d . . 
H46A H 0.3460(3) 0.4406(3) 0.1338(2) 0.059 Uiso 1 calc R . 
C47 C 0.3762(2) 0.3277(3) 0.1141(2) 0.0521(15) Uani 1 d . . 
H47A H 0.4152(2) 0.3472(3) 0.1060(2) 0.063 Uiso 1 calc R . 
C48 C 0.3604(2) 0.2424(3) 0.1094(2) 0.0481(14) Uani 1 d . . 
H48A H 0.3888(2) 0.2049(3) 0.0981(2) 0.058 Uiso 1 calc R . 
C49 C 0.3476(2) 0.0426(3) 0.14170(13) 0.0302(10) Uani 1 d . . 
C50 C 0.3604(2) -0.0411(3) 0.1311(2) 0.0375(12) Uani 1 d . . 
H50A H 0.3381(2) -0.0663(3) 0.1070(2) 0.045 Uiso 1 calc R . 
C51 C 0.4062(2) -0.0869(3) 0.1564(2) 0.0508(14) Uani 1 d . . 
H51A H 0.4146(2) -0.1431(3) 0.1492(2) 0.061 Uiso 1 calc R . 
C52 C 0.4396(3) -0.0506(4) 0.1921(2) 0.056(2) Uani 1 d . . 
H52A H 0.4709(3) -0.0816(4) 0.2088(2) 0.068 Uiso 1 calc R . 
C53 C 0.4264(3) 0.0312(4) 0.2027(2) 0.054(2) Uani 1 d . . 
H53A H 0.4483(3) 0.0559(4) 0.2272(2) 0.065 Uiso 1 calc R . 
C54 C 0.3808(2) 0.0783(3) 0.1777(2) 0.0443(13) Uani 1 d . . 
H54A H 0.3726(2) 0.1343(3) 0.1853(2) 0.053 Uiso 1 calc R . 
C55 C 0.3951(5) 0.7575(6) 0.0619(3) 0.104(3) Uani 1 d . . 
H55A H 0.3746(5) 0.7248(6) 0.0814(3) 0.124 Uiso 1 calc R . 
C56 C 0.3595(4) 0.7968(7) 0.0280(3) 0.111(3) Uani 1 d . . 
H56A H 0.3152(4) 0.7903(7) 0.0240(3) 0.133 Uiso 1 calc R . 
C57 C 0.3904(5) 0.8451(6) 0.0005(3) 0.125(4) Uani 1 d . . 
H57A H 0.3671(5) 0.8729(6) -0.0224(3) 0.150 Uiso 1 calc R . 
C58 C 0.4548(4) 0.8532(5) 0.0062(3) 0.113(3) Uani 1 d . . 
H58A H 0.4756(4) 0.8859(5) -0.0132(3) 0.136 Uiso 1 calc R . 
C59 C 0.4894(4) 0.8142(5) 0.0396(2) 0.078(2) Uani 1 d . . 
H59A H 0.5337(4) 0.8207(5) 0.0436(2) 0.093 Uiso 1 calc R . 
C60 C 0.4593(4) 0.7660(5) 0.0672(3) 0.089(2) Uani 1 d . . 
H60A H 0.4829(4) 0.7383(5) 0.0900(3) 0.106 Uiso 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 0.0262(2) 0.0220(2) 0.0264(2) -0.0003(2) -0.00133(14) 0.0014(2) 
P1 0.0292(6) 0.0267(7) 0.0319(7) 0.0008(5) 0.0013(5) -0.0006(5) 
P2 0.0276(6) 0.0262(7) 0.0294(7) 0.0007(5) -0.0005(5) 0.0013(5) 
N1 0.038(2) 0.031(2) 0.041(2) 0.011(2) -0.005(2) 0.001(2) 
N2 0.034(2) 0.022(2) 0.037(2) 0.001(2) 0.003(2) 0.005(2) 
O1 0.033(2) 0.022(2) 0.037(2) 0.0023(15) -0.0026(14) 0.0024(14) 
O2 0.056(2) 0.050(2) 0.058(2) 0.023(2) 0.000(2) 0.016(2) 
O3 0.118(4) 0.060(3) 0.048(2) -0.015(2) -0.028(2) 0.035(3) 
O4 0.066(3) 0.038(2) 0.053(2) -0.012(2) 0.002(2) 0.010(2) 
C1 0.027(2) 0.021(3) 0.040(3) -0.004(2) 0.003(2) 0.001(2) 
C2 0.029(3) 0.029(3) 0.040(3) -0.013(2) 0.006(2) -0.002(2) 
C3 0.058(3) 0.035(3) 0.049(3) -0.012(3) 0.010(3) -0.005(3) 
C4 0.058(4) 0.023(3) 0.070(4) -0.006(3) 0.014(3) 0.005(3) 
C5 0.047(3) 0.028(3) 0.062(4) 0.006(3) 0.004(3) 0.001(2) 
C6 0.036(3) 0.026(3) 0.045(3) 0.002(2) 0.001(2) -0.001(2) 
C7 0.109(6) 0.032(3) 0.106(6) -0.011(4) 0.018(4) 0.008(4) 
C8 0.036(3) 0.034(3) 0.051(3) 0.018(3) 0.003(2) 0.002(2) 
C9 0.040(3) 0.038(3) 0.034(3) -0.013(2) -0.003(2) 0.003(2) 
C10 0.030(3) 0.037(3) 0.031(3) -0.002(2) -0.001(2) 0.000(2) 
C11 0.030(3) 0.033(3) 0.032(3) 0.002(2) 0.001(2) -0.003(2) 
C12 0.033(3) 0.041(3) 0.037(3) 0.009(2) 0.003(2) 0.001(2) 
C13 0.064(4) 0.049(4) 0.044(3) -0.002(3) -0.008(3) 0.008(3) 
C14 0.068(4) 0.058(4) 0.058(4) -0.013(3) 0.003(3) 0.001(3) 
C15 0.050(3) 0.073(4) 0.032(3) -0.006(3) -0.003(3) 0.001(3) 
C16 0.053(4) 0.066(4) 0.044(3) 0.014(3) -0.010(3) 0.004(3) 
C17 0.051(3) 0.043(3) 0.048(3) 0.007(3) -0.002(3) 0.000(3) 
C18 0.084(5) 0.107(6) 0.063(4) -0.019(4) -0.019(4) 0.003(4) 
C19 0.038(3) 0.034(3) 0.042(3) 0.007(2) 0.008(2) 0.002(2) 
C20 0.068(4) 0.047(4) 0.070(4) 0.016(3) -0.012(3) -0.012(3) 
C21 0.108(6) 0.049(4) 0.121(7) 0.041(5) -0.007(5) -0.022(4) 
C22 0.115(6) 0.069(5) 0.093(6) 0.053(5) -0.003(5) -0.003(5) 
C23 0.073(4) 0.095(6) 0.049(4) 0.034(4) 0.002(3) 0.008(4) 
C24 0.052(3) 0.054(4) 0.038(3) 0.007(3) 0.006(3) 0.003(3) 
C25 0.033(3) 0.042(3) 0.031(3) 0.002(2) 0.007(2) -0.013(2) 
C26 0.047(3) 0.049(3) 0.046(3) 0.007(3) -0.006(3) -0.006(3) 
C27 0.063(4) 0.074(5) 0.055(4) 0.012(4) -0.019(3) -0.003(4) 
C28 0.061(4) 0.107(6) 0.053(4) -0.003(4) -0.014(3) -0.026(4) 
C29 0.068(4) 0.077(5) 0.052(4) -0.028(3) 0.015(3) -0.026(4) 
C30 0.040(3) 0.064(4) 0.048(3) -0.012(3) 0.006(3) -0.011(3) 
C31 0.033(3) 0.031(3) 0.033(3) -0.002(2) 0.001(2) 0.006(2) 
C32 0.044(3) 0.055(4) 0.049(3) 0.005(3) 0.013(3) 0.003(3) 
C33 0.044(3) 0.083(5) 0.059(4) 0.009(3) 0.021(3) 0.008(3) 
C34 0.047(4) 0.076(5) 0.056(4) -0.010(3) 0.008(3) 0.025(3) 
C35 0.056(4) 0.046(3) 0.057(4) -0.002(3) 0.004(3) 0.017(3) 
C36 0.039(3) 0.042(3) 0.040(3) -0.003(2) 0.006(2) 0.005(2) 
C37 0.039(3) 0.035(3) 0.036(3) -0.003(2) 0.006(2) -0.002(2) 
C38 0.046(3) 0.066(4) 0.041(3) 0.009(3) 0.002(3) 0.009(3) 
C39 0.073(4) 0.088(5) 0.038(3) 0.014(3) -0.002(3) 0.013(4) 
C40 0.093(5) 0.096(5) 0.039(4) 0.006(4) 0.023(4) 0.010(4) 
C41 0.079(5) 0.103(6) 0.057(4) 0.012(4) 0.030(4) 0.028(4) 
C42 0.051(3) 0.080(4) 0.041(3) 0.012(3) 0.015(3) 0.017(3) 
C43 0.031(3) 0.028(3) 0.040(3) 0.004(2) -0.002(2) -0.001(2) 
C44 0.036(3) 0.037(3) 0.044(3) 0.002(2) 0.009(2) -0.003(2) 
C45 0.056(4) 0.031(3) 0.055(3) -0.003(3) 0.010(3) 0.005(3) 
C46 0.053(3) 0.030(3) 0.065(4) 0.006(3) 0.003(3) -0.012(3) 
C47 0.039(3) 0.042(4) 0.077(4) 0.006(3) 0.010(3) -0.007(3) 
C48 0.034(3) 0.038(3) 0.073(4) 0.001(3) 0.009(3) 0.003(2) 
C49 0.029(2) 0.038(3) 0.023(2) 0.006(2) -0.001(2) 0.001(2) 
C50 0.036(3) 0.039(3) 0.037(3) -0.002(3) 0.002(2) 0.003(2) 
C51 0.055(3) 0.034(3) 0.064(4) 0.005(3) 0.008(3) 0.021(3) 
C52 0.049(3) 0.069(4) 0.050(3) 0.015(3) -0.003(3) 0.024(3) 
C53 0.051(3) 0.065(4) 0.042(3) -0.004(3) -0.017(3) 0.013(3) 
C54 0.049(3) 0.037(3) 0.044(3) -0.007(2) -0.007(3) 0.009(2) 
C55 0.114(7) 0.114(7) 0.086(6) -0.002(5) 0.028(6) -0.009(6) 
C56 0.074(6) 0.137(9) 0.119(8) -0.025(7) -0.007(6) -0.007(6) 
C57 0.115(8) 0.116(8) 0.132(9) 0.022(7) -0.052(7) -0.013(6) 
C58 0.111(7) 0.096(6) 0.123(7) 0.043(6) -0.032(6) -0.023(5) 
C59 0.077(5) 0.069(5) 0.086(5) -0.005(4) -0.003(4) 0.008(4) 
C60 0.106(7) 0.079(6) 0.079(5) -0.001(4) 0.001(5) 0.015(5) 

_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 C11 1.808(5) . ? 
Ru C10 2.050(3) . ? 
Ru O1 2.106(3) . ? 
Ru N2 2.217(4) . ? 
Ru P2 2.383(2) . ? 
Ru P1 2.410(2) . ? 
P1 C19 1.823(5) . ? 
P1 C25 1.834(5) . ? 
P1 C31 1.833(5) . ? 
P2 C49 1.829(4) . ? 
P2 C37 1.835(5) . ? 
P2 C43 1.836(5) . ? 
N1 C8 1.304(6) . ? 
N1 C12 1.421(6) . ? 
N1 O3 2.981(6) . ? 
N2 O3 1.213(5) . ? 
N2 O4 1.222(5) . ? 
O1 C1 1.302(5) . ? 
O2 C11 1.157(5) . ? 
C1 C6 1.421(6) . ? 
C1 C2 1.430(6) . ? 
C2 C3 1.387(7) . ? 
C2 C9 1.449(6) . ? 
C3 C4 1.396(7) . ? 
C4 C5 1.349(7) . ? 
C4 C7 1.514(7) . ? 
C5 C6 1.422(7) . ? 
C6 C8 1.401(7) . ? 
C9 C10 1.33 . ? 
C12 C17 1.379(7) . ? 
C12 C13 1.382(7) . ? 
C13 C14 1.375(7) . ? 
C14 C15 1.368(8) . ? 
C15 C16 1.371(8) . ? 
C15 C18 1.507(8) . ? 
C16 C17 1.364(7) . ? 
C19 C20 1.384(7) . ? 
C19 C24 1.391(7) . ? 
C20 C21 1.380(8) . ? 
C21 C22 1.345(10) . ? 
C22 C23 1.360(9) . ? 
C23 C24 1.376(8) . ? 
C25 C26 1.383(7) . ? 
C25 C30 1.390(7) . ? 
C26 C27 1.378(7) . ? 
C27 C28 1.356(9) . ? 
C28 C29 1.357(9) . ? 
C29 C30 1.388(8) . ? 
C31 C36 1.374(6) . ? 
C31 C32 1.388(7) . ? 
C32 C33 1.381(7) . ? 
C33 C34 1.359(8) . ? 
C34 C35 1.372(8) . ? 
C35 C36 1.388(7) . ? 
C37 C42 1.375(7) . ? 
C37 C38 1.390(7) . ? 
C38 C39 1.372(7) . ? 
C39 C40 1.367(8) . ? 
C40 C41 1.360(8) . ? 
C41 C42 1.383(8) . ? 
C43 C44 1.375(6) . ? 
C43 C48 1.391(6) . ? 
C44 C45 1.386(7) . ? 
C45 C46 1.369(7) . ? 
C46 C47 1.361(7) . ? 
C47 C48 1.381(7) . ? 
C49 C54 1.373(6) . ? 
C49 C50 1.385(6) . ? 
C50 C51 1.379(7) . ? 
C51 C52 1.370(8) . ? 
C52 C53 1.361(7) . ? 
C53 C54 1.381(7) . ? 
C55 C60 1.347(10) . ? 
C55 C56 1.371(11) . ? 
C56 C57 1.350(12) . ? 
C57 C58 1.351(11) . ? 
C58 C59 1.350(9) . ? 
C59 C60 1.343(10) . ? 

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 
C11 Ru C10 92.2(2) . . ? 
C11 Ru O1 179.4(2) . . ? 
C10 Ru O1 87.25(13) . . ? 
C11 Ru N2 97.3(2) . . ? 
C10 Ru N2 170.43(14) . . ? 
O1 Ru N2 83.21(14) . . ? 
C11 Ru P2 89.96(15) . . ? 
C10 Ru P2 86.35(11) . . ? 
O1 Ru P2 89.78(10) . . ? 
N2 Ru P2 92.88(11) . . ? 
C11 Ru P1 89.54(15) . . ? 
C10 Ru P1 88.81(11) . . ? 
O1 Ru P1 90.67(10) . . ? 
N2 Ru P1 92.01(11) . . ? 
P2 Ru P1 175.11(4) . . ? 
C19 P1 C25 105.1(2) . . ? 
C19 P1 C31 101.1(2) . . ? 
C25 P1 C31 100.5(2) . . ? 
C19 P1 Ru 115.3(2) . . ? 
C25 P1 Ru 115.3(2) . . ? 
C31 P1 Ru 117.4(2) . . ? 
C49 P2 C37 105.2(2) . . ? 
C49 P2 C43 103.2(2) . . ? 
C37 P2 C43 98.6(2) . . ? 
C49 P2 Ru 111.2(2) . . ? 
C37 P2 Ru 117.2(2) . . ? 
C43 P2 Ru 119.5(2) . . ? 
C8 N1 C12 125.7(4) . . ? 
C8 N1 O3 135.3(3) . . ? 
C12 N1 O3 97.2(3) . . ? 
O3 N2 O4 117.0(4) . . ? 
O3 N2 Ru 120.3(3) . . ? 
O4 N2 Ru 122.6(3) . . ? 
C1 O1 Ru 130.4(3) . . ? 
N2 O3 N1 135.9(3) . . ? 
O1 C1 C6 118.2(4) . . ? 
O1 C1 C2 123.3(4) . . ? 
C6 C1 C2 118.3(4) . . ? 
C3 C2 C1 117.3(4) . . ? 
C3 C2 C9 120.4(4) . . ? 
C1 C2 C9 122.3(4) . . ? 
C2 C3 C4 124.9(5) . . ? 
C5 C4 C3 117.5(5) . . ? 
C5 C4 C7 122.4(5) . . ? 
C3 C4 C7 120.0(5) . . ? 
C4 C5 C6 121.7(5) . . ? 
C8 C6 C1 122.4(4) . . ? 
C8 C6 C5 117.2(4) . . ? 
C1 C6 C5 120.0(5) . . ? 
N1 C8 C6 127.3(4) . . ? 
C10 C9 C2 129.0(2) . . ? 
C9 C10 Ru 125.93(10) . . ? 
O2 C11 Ru 177.1(4) . . ? 
C17 C12 C13 118.7(5) . . ? 
C17 C12 N1 123.1(5) . . ? 
C13 C12 N1 118.2(4) . . ? 
C14 C13 C12 119.1(5) . . ? 
C15 C14 C13 122.9(6) . . ? 
C16 C15 C14 116.6(5) . . ? 
C16 C15 C18 121.9(6) . . ? 
C14 C15 C18 121.5(6) . . ? 
C17 C16 C15 122.3(5) . . ? 
C16 C17 C12 120.3(5) . . ? 
C20 C19 C24 117.7(5) . . ? 
C20 C19 P1 125.2(4) . . ? 
C24 C19 P1 117.0(4) . . ? 
C21 C20 C19 121.5(6) . . ? 
C22 C21 C20 119.2(7) . . ? 
C21 C22 C23 121.3(6) . . ? 
C22 C23 C24 120.2(6) . . ? 
C23 C24 C19 120.1(6) . . ? 
C26 C25 C30 118.1(5) . . ? 
C26 C25 P1 120.8(4) . . ? 
C30 C25 P1 121.0(4) . . ? 
C27 C26 C25 120.8(6) . . ? 
C28 C27 C26 120.4(6) . . ? 
C27 C28 C29 120.1(6) . . ? 
C28 C29 C30 120.7(6) . . ? 
C29 C30 C25 119.9(5) . . ? 
C36 C31 C32 118.5(4) . . ? 
C36 C31 P1 120.4(4) . . ? 
C32 C31 P1 120.8(4) . . ? 
C33 C32 C31 120.6(5) . . ? 
C34 C33 C32 120.3(6) . . ? 
C33 C34 C35 120.0(5) . . ? 
C34 C35 C36 120.1(5) . . ? 
C31 C36 C35 120.5(5) . . ? 
C42 C37 C38 117.8(5) . . ? 
C42 C37 P2 124.4(4) . . ? 
C38 C37 P2 117.5(4) . . ? 
C39 C38 C37 121.5(5) . . ? 
C38 C39 C40 119.8(5) . . ? 
C41 C40 C39 119.6(6) . . ? 
C40 C41 C42 121.1(6) . . ? 
C37 C42 C41 120.2(5) . . ? 
C44 C43 C48 118.4(4) . . ? 
C44 C43 P2 122.3(4) . . ? 
C48 C43 P2 119.2(4) . . ? 
C43 C44 C45 120.6(5) . . ? 
C46 C45 C44 120.2(5) . . ? 
C47 C46 C45 120.0(5) . . ? 
C46 C47 C48 120.2(5) . . ? 
C47 C48 C43 120.6(5) . . ? 
C54 C49 C50 118.9(4) . . ? 
C54 C49 P2 120.7(4) . . ? 
C50 C49 P2 120.1(3) . . ? 
C51 C50 C49 120.0(5) . . ? 
C52 C51 C50 120.8(5) . . ? 
C53 C52 C51 119.1(5) . . ? 
C52 C53 C54 120.9(5) . . ? 
C49 C54 C53 120.3(5) . . ? 
C60 C55 C56 120.6(9) . . ? 
C57 C56 C55 118.4(9) . . ? 
C56 C57 C58 120.4(9) . . ? 
C59 C58 C57 120.7(9) . . ? 
C60 C59 C58 119.4(8) . . ? 
C55 C60 C59 120.4(8) . . ? 

_refine_diff_density_max    0.467 
_refine_diff_density_min   -0.438 
_refine_diff_density_rms    0.069 
#=====================================END#

data_801ru  (4h)

_database_code_CSD	154176


_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C54 H45 Cl N2 O5 P2 Ru' 
_chemical_formula_weight          1000.38 
_chemical_melting_point           ? 
_chemical_compound_source         ? 

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' 

_symmetry_cell_setting            monoclinic
_symmetry_space_group_name_H-M    P2(1)/c 

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' 

_cell_length_a                    14.784(4) 
_cell_length_b                    15.106(4) 
_cell_length_c                    21.971(7) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.06(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      4906.8(25) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     30 
_cell_measurement_theta_min       7 
_cell_measurement_theta_max       14 

_exptl_crystal_description        parallelopiped
_exptl_crystal_colour             violet 
_exptl_crystal_size_max           0.40 
_exptl_crystal_size_mid           0.35 
_exptl_crystal_size_min           0.30 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.354 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              2056 
_exptl_absorpt_coefficient_mu     0.488 
_exptl_absorpt_correction_type    'semi-empirical' 
_exptl_absorpt_correction_T_min   0.710 
_exptl_absorpt_correction_T_max   0.785 

_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        'Siemens R3m/V' 
_diffrn_measurement_method        '\w scan' 
_diffrn_standards_number          2 
_diffrn_standards_interval_count  198 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         0 
_diffrn_reflns_number             7617 
_diffrn_reflns_av_R_equivalents   0.0268 
_diffrn_reflns_av_sigmaI/netI     0.0610 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        16 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        16 
_diffrn_reflns_limit_l_min        -24 
_diffrn_reflns_limit_l_max        24 
_diffrn_reflns_theta_min          1.64 
_diffrn_reflns_theta_max          23.50 
_reflns_number_total              7232 
_reflns_number_observed           4931 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 

_refine_special_details 
; 
Refinement on F^2^ for ALL reflections except for 1 with very negative F^2^ 
or flagged by the user for potential systematic errors.  Weighted R-factors 
wR and all goodnesses 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 observed criterion 
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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            fullcycle 
_refine_ls_weighting_scheme 
'calc w=1/[\s^2^(Fo^2^)+(0.1351P)^2^+30.5843P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      'Patterson heavy atom method'  
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          7231 
_refine_ls_number_parameters      581 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1188 
_refine_ls_R_factor_obs           0.0724 
_refine_ls_wR_factor_all          0.2655 
_refine_ls_wR_factor_obs          0.1889 
_refine_ls_goodness_of_fit_all    1.074 
_refine_ls_goodness_of_fit_obs    0.938 
_refine_ls_restrained_S_all       1.075 
_refine_ls_restrained_S_obs       0.938 
_refine_ls_shift/esd_max          0.006 
_refine_ls_shift/esd_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_thermal_displace_type 
_atom_site_occupancy 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_group 
Ru Ru -0.24750(5) -0.39261(5) 0.71163(3) 0.0357(3) Uani 1 d . . 
P1 P -0.2492(2) -0.4260(2) 0.60542(11) 0.0386(6) Uani 1 d . . 
P2 P -0.2597(2) -0.3455(2) 0.81539(12) 0.0454(6) Uani 1 d . . 
N1 N 0.0290(5) -0.2820(5) 0.6920(4) 0.046(2) Uani 1 d . . 
H1A H -0.0139(5) -0.3204(5) 0.6934(4) 0.055 Uiso 1 calc R . 
N2 N -0.1309(6) -0.4775(5) 0.7275(4) 0.046(2) Uani 1 d . . 
O1 O -0.1512(4) -0.2953(4) 0.6954(3) 0.0385(14) Uani 1 d . . 
O2 O -0.3865(6) -0.5272(6) 0.7373(4) 0.078(2) Uani 1 d . . 
O3 O -0.1357(6) -0.5554(5) 0.7446(4) 0.078(3) Uani 1 d . . 
O4 O -0.0540(5) -0.4512(5) 0.7190(4) 0.072(2) Uani 1 d . . 
O5 O -0.4107(8) -0.1332(8) 0.5957(5) 0.123(4) Uani 1 d . . 
H5A H -0.4563(8) -0.1050(8) 0.5871(5) 0.184 Uiso 1 calc R . 
C1 C -0.1597(7) -0.2093(6) 0.6855(4) 0.042(2) Uani 1 d . . 
C2 C -0.2443(6) -0.1675(6) 0.6755(4) 0.035(2) Uiso 1 d . . 
Cl Cl 0.4005(2) -0.4231(3) 0.7159(2) 0.0901(11) Uani 1 d . . 
C3 C -0.2404(8) -0.0756(7) 0.6635(5) 0.058(3) Uani 1 d . . 
H3A H -0.2947(8) -0.0462(7) 0.6566(5) 0.070 Uiso 1 calc R . 
C4 C -0.1607(9) -0.0257(7) 0.6614(5) 0.063(3) Uani 1 d . . 
C5 C -0.0810(8) -0.0667(6) 0.6712(5) 0.060(3) Uani 1 d . . 
H5B H -0.0276(8) -0.0341(6) 0.6709(5) 0.071 Uiso 1 calc R . 
C6 C -0.0778(7) -0.1583(7) 0.6818(5) 0.049(2) Uani 1 d . . 
C7 C -0.1667(10) 0.0729(8) 0.6478(6) 0.086(4) Uani 1 d . . 
H7A H -0.2289(10) 0.0893(8) 0.6423(6) 0.128 Uiso 1 calc R . 
H7B H -0.1335(10) 0.0858(8) 0.6113(6) 0.128 Uiso 1 calc R . 
H7C H -0.1416(10) 0.1057(8) 0.6812(6) 0.128 Uiso 1 calc R . 
C8 C 0.0084(7) -0.1957(7) 0.6858(4) 0.048(2) Uani 1 d . . 
H8A H 0.0569(7) -0.1566(7) 0.6840(4) 0.058 Uiso 1 calc R . 
C9 C -0.3299(7) -0.2138(7) 0.6749(5) 0.051(3) Uani 1 d . . 
C10 C -0.3424(6) -0.2996(6) 0.6901(4) 0.044(2) Uani 1 d . . 
H10A H -0.4021(6) -0.3188(6) 0.6909(4) 0.052 Uiso 1 calc R . 
C11 C -0.3322(7) -0.4776(7) 0.7271(4) 0.044(2) Uani 1 d . . 
C12 C -0.4148(8) -0.1607(9) 0.6580(7) 0.092(5) Uani 1 d . . 
H12A H -0.4681(8) -0.1969(9) 0.6643(7) 0.111 Uiso 1 calc R . 
H12B H -0.4195(8) -0.1091(9) 0.6841(7) 0.111 Uiso 1 calc R . 
C13 C 0.1203(6) -0.3109(7) 0.6964(4) 0.044(2) Uani 1 d . . 
C14 C 0.1361(8) -0.4011(8) 0.6868(5) 0.062(3) Uani 1 d . . 
H14A H 0.0881(8) -0.4385(8) 0.6775(5) 0.075 Uiso 1 calc R . 
C15 C 0.2240(8) -0.4356(9) 0.6910(6) 0.071(3) Uani 1 d . . 
H15A H 0.2347(8) -0.4954(9) 0.6840(6) 0.085 Uiso 1 calc R . 
C16 C 0.2947(9) -0.3793(9) 0.7057(6) 0.072(3) Uani 1 d . . 
C17 C 0.2809(7) -0.2923(10) 0.7156(6) 0.070(4) Uani 1 d . . 
H17A H 0.3293(7) -0.2552(10) 0.7245(6) 0.084 Uiso 1 calc R . 
C18 C 0.1919(8) -0.2582(7) 0.7124(5) 0.066(3) Uani 1 d . . 
H18A H 0.1819(8) -0.1988(7) 0.7213(5) 0.079 Uiso 1 calc R . 
C19 C -0.2379(6) -0.5399(7) 0.5796(5) 0.047(2) Uani 1 d . . 
C20 C -0.2438(7) -0.5594(8) 0.5172(5) 0.060(3) Uani 1 d . . 
H20A H -0.2502(7) -0.5135(8) 0.4893(5) 0.072 Uiso 1 calc R . 
C21 C -0.2405(8) -0.6447(10) 0.4967(7) 0.076(4) Uani 1 d . . 
H21A H -0.2449(8) -0.6570(10) 0.4554(7) 0.091 Uiso 1 calc R . 
C22 C -0.2304(8) -0.7129(9) 0.5385(8) 0.087(5) Uani 1 d . . 
H22A H -0.2281(8) -0.7711(9) 0.5248(8) 0.104 Uiso 1 calc R . 
C23 C -0.2238(9) -0.6963(8) 0.5989(7) 0.078(4) Uani 1 d . . 
H23A H -0.2160(9) -0.7426(8) 0.6263(7) 0.094 Uiso 1 calc R . 
C24 C -0.2287(7) -0.6094(7) 0.6197(6) 0.061(3) Uani 1 d . . 
H24A H -0.2259(7) -0.5980(7) 0.6613(6) 0.074 Uiso 1 calc R . 
C25 C -0.3518(6) -0.3963(7) 0.5641(4) 0.045(2) Uani 1 d . . 
C26 C -0.3510(8) -0.3501(9) 0.5094(5) 0.072(4) Uani 1 d . . 
H26A H -0.2964(8) -0.3305(9) 0.4933(5) 0.086 Uiso 1 calc R . 
C27 C -0.4307(9) -0.3334(12) 0.4787(6) 0.098(5) Uani 1 d . . 
H27A H -0.4297(9) -0.3027(12) 0.4420(6) 0.117 Uiso 1 calc R . 
C28 C -0.5109(9) -0.3619(11) 0.5021(7) 0.089(4) Uani 1 d . . 
H28A H -0.5647(9) -0.3502(11) 0.4816(7) 0.107 Uiso 1 calc R . 
C29 C -0.5121(8) -0.4074(11) 0.5555(6) 0.084(4) Uani 1 d . . 
H29A H -0.5668(8) -0.4267(11) 0.5716(6) 0.101 Uiso 1 calc R . 
C30 C -0.4338(7) -0.4248(8) 0.5853(5) 0.061(3) Uani 1 d . . 
H30A H -0.4358(7) -0.4571(8) 0.6213(5) 0.073 Uiso 1 calc R . 
C31 C -0.1568(6) -0.3698(6) 0.5675(4) 0.042(2) Uani 1 d . . 
C32 C -0.0758(7) -0.4157(7) 0.5577(5) 0.055(3) Uani 1 d . . 
H32A H -0.0729(7) -0.4762(7) 0.5655(5) 0.066 Uiso 1 calc R . 
C33 C 0.0017(7) -0.3706(10) 0.5359(6) 0.071(4) Uani 1 d . . 
H33A H 0.0564(7) -0.4002(10) 0.5315(6) 0.086 Uiso 1 calc R . 
C34 C -0.0053(9) -0.2832(10) 0.5217(6) 0.078(4) Uani 1 d . . 
H34A H 0.0443(9) -0.2538(10) 0.5052(6) 0.093 Uiso 1 calc R . 
C35 C -0.0835(8) -0.2382(9) 0.5310(5) 0.067(3) Uani 1 d . . 
H35A H -0.0863(8) -0.1781(9) 0.5219(5) 0.081 Uiso 1 calc R . 
C36 C -0.1590(8) -0.2807(7) 0.5539(4) 0.052(3) Uani 1 d . . 
H36A H -0.2120(8) -0.2488(7) 0.5603(4) 0.062 Uiso 1 calc R . 
C37 C -0.3726(8) -0.2991(10) 0.8297(5) 0.073(4) Uani 1 d . . 
C38 C -0.3939(9) -0.2080(10) 0.8120(6) 0.084(4) Uani 1 d . . 
H38A H -0.3497(9) -0.1706(10) 0.7963(6) 0.101 Uiso 1 calc R . 
C39 C -0.4828(14) -0.1795(18) 0.8196(7) 0.141(10) Uani 1 d . . 
H39A H -0.4989(14) -0.1219(18) 0.8092(7) 0.169 Uiso 1 calc R . 
C40 C -0.5440(16) -0.2341(26) 0.8415(13) 0.178(16) Uani 1 d . . 
H40A H -0.6030(16) -0.2133(26) 0.8451(13) 0.214 Uiso 1 calc R . 
C41 C -0.5268(17) -0.3197(19) 0.8596(12) 0.143(10) Uani 1 d . . 
H41A H -0.5719(17) -0.3557(19) 0.8757(12) 0.172 Uiso 1 calc R . 
C42 C -0.4379(8) -0.3500(13) 0.8524(7) 0.098(5) Uani 1 d . . 
H42A H -0.4240(8) -0.4076(13) 0.8640(7) 0.117 Uiso 1 calc R . 
C43 C -0.2479(9) -0.4247(8) 0.8759(5) 0.064(3) Uani 1 d . . 
C44 C -0.2445(11) -0.5158(9) 0.8657(6) 0.091(5) Uani 1 d . . 
H44A H -0.2448(11) -0.5377(9) 0.8262(6) 0.109 Uiso 1 calc R . 
C45 C -0.2405(18) -0.5739(11) 0.9148(8) 0.157(10) Uani 1 d . . 
H45A H -0.2350(18) -0.6344(11) 0.9082(8) 0.189 Uiso 1 calc R . 
C46 C -0.2447(24) -0.5414(13) 0.9728(8) 0.216(16) Uani 1 d . . 
H46A H -0.2405(24) -0.5809(13) 1.0051(8) 0.260 Uiso 1 calc R . 
C47 C -0.2551(19) -0.4505(12) 0.9858(7) 0.162(11) Uani 1 d . . 
H47A H -0.2615(19) -0.4297(12) 1.0254(7) 0.195 Uiso 1 calc R . 
C48 C -0.2553(13) -0.3952(10) 0.9369(6) 0.104(6) Uani 1 d . . 
H48A H -0.2606(13) -0.3347(10) 0.9439(6) 0.125 Uiso 1 calc R . 
C49 C -0.1779(7) -0.2624(6) 0.8390(4) 0.041(2) Uani 1 d . . 
C50 C -0.1982(8) -0.1853(7) 0.8700(5) 0.058(3) Uani 1 d . . 
H50A H -0.2579(8) -0.1727(7) 0.8801(5) 0.070 Uiso 1 calc R . 
C51 C -0.1305(11) -0.1269(8) 0.8862(6) 0.077(4) Uani 1 d . . 
H51A H -0.1441(11) -0.0754(8) 0.9075(6) 0.092 Uiso 1 calc R . 
C52 C -0.0415(12) -0.1461(10) 0.8701(6) 0.089(5) Uani 1 d . . 
H52A H 0.0039(12) -0.1062(10) 0.8806(6) 0.107 Uiso 1 calc R . 
C53 C -0.0186(9) -0.2218(10) 0.8395(5) 0.077(4) Uani 1 d . . 
H53A H 0.0412(9) -0.2340(10) 0.8295(5) 0.093 Uiso 1 calc R . 
C54 C -0.0866(7) -0.2788(8) 0.8239(5) 0.056(3) Uani 1 d . . 
H54A H -0.0722(7) -0.3302(8) 0.8028(5) 0.067 Uiso 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 0.0360(4) 0.0316(4) 0.0397(4) 0.0008(3) -0.0032(3) 0.0011(3) 
P1 0.0358(13) 0.0386(13) 0.0413(13) -0.0007(11) 0.0012(10) 0.0012(10) 
P2 0.051(2) 0.047(2) 0.0388(13) 0.0007(12) -0.0015(11) -0.0037(12) 
N1 0.040(4) 0.035(5) 0.061(5) -0.009(4) -0.011(4) -0.009(4) 
N2 0.052(5) 0.041(5) 0.046(5) 0.006(4) 0.006(4) -0.003(4) 
O1 0.038(3) 0.037(4) 0.041(3) -0.001(3) -0.007(3) 0.000(3) 
O2 0.070(5) 0.071(6) 0.093(6) 0.013(5) 0.000(5) -0.035(5) 
O3 0.072(5) 0.047(5) 0.116(7) 0.025(5) -0.025(5) 0.007(4) 
O4 0.057(5) 0.040(4) 0.118(7) 0.018(4) 0.005(5) 0.007(4) 
O5 0.126(9) 0.110(9) 0.132(9) 0.051(7) -0.054(8) 0.020(7) 
C1 0.065(6) 0.020(5) 0.041(5) -0.004(4) 0.004(5) 0.004(4) 
Cl 0.052(2) 0.113(3) 0.105(3) -0.013(2) -0.003(2) 0.022(2) 
C3 0.070(8) 0.051(6) 0.053(6) 0.004(5) 0.003(6) 0.013(6) 
C4 0.089(9) 0.041(6) 0.060(7) 0.005(5) -0.005(6) 0.010(6) 
C5 0.077(8) 0.021(5) 0.080(8) 0.002(5) -0.020(6) -0.003(5) 
C6 0.053(6) 0.041(6) 0.052(6) 0.003(5) -0.007(5) -0.012(5) 
C7 0.120(12) 0.041(7) 0.096(10) 0.026(7) -0.021(9) -0.001(7) 
C8 0.042(6) 0.048(6) 0.055(6) 0.001(5) -0.001(5) -0.005(5) 
C9 0.048(6) 0.050(6) 0.053(6) -0.002(5) 0.000(5) 0.013(5) 
C10 0.027(5) 0.048(6) 0.055(6) -0.002(5) -0.004(4) 0.005(4) 
C11 0.052(6) 0.047(6) 0.034(5) 0.004(4) 0.006(4) -0.019(5) 
C12 0.058(8) 0.076(9) 0.143(14) 0.030(9) -0.035(8) 0.029(7) 
C13 0.037(5) 0.047(6) 0.047(6) -0.005(5) -0.003(4) -0.005(4) 
C14 0.048(6) 0.056(7) 0.082(8) -0.014(6) -0.002(6) -0.006(6) 
C15 0.072(8) 0.062(8) 0.078(8) -0.024(7) -0.011(7) 0.016(7) 
C16 0.082(9) 0.074(9) 0.060(7) -0.019(6) 0.006(6) -0.001(7) 
C17 0.022(5) 0.101(10) 0.086(9) 0.005(8) -0.009(5) -0.023(6) 
C18 0.082(9) 0.038(6) 0.078(8) -0.008(6) 0.005(7) -0.033(6) 
C19 0.029(5) 0.048(6) 0.063(7) -0.002(5) -0.006(4) -0.009(4) 
C20 0.052(6) 0.064(8) 0.065(7) -0.019(6) 0.003(5) -0.002(6) 
C21 0.063(8) 0.077(9) 0.087(9) -0.036(8) 0.009(7) -0.010(7) 
C22 0.060(8) 0.059(8) 0.141(14) -0.053(10) 0.002(8) -0.004(7) 
C23 0.076(8) 0.050(7) 0.108(11) -0.003(7) -0.004(8) -0.010(6) 
C24 0.059(7) 0.039(6) 0.085(8) -0.012(6) -0.009(6) 0.007(5) 
C25 0.045(5) 0.046(6) 0.044(5) -0.005(5) 0.001(4) 0.005(5) 
C26 0.055(7) 0.104(10) 0.056(7) 0.015(7) 0.000(6) 0.007(7) 
C27 0.062(8) 0.160(16) 0.070(9) 0.047(10) -0.015(7) 0.015(9) 
C28 0.051(8) 0.135(13) 0.080(9) 0.021(9) -0.017(7) 0.013(8) 
C29 0.045(7) 0.137(13) 0.070(8) 0.018(9) 0.001(6) -0.006(8) 
C30 0.058(7) 0.069(8) 0.055(6) 0.010(6) -0.006(5) -0.010(6) 
C31 0.047(6) 0.043(6) 0.037(5) 0.002(4) 0.000(4) -0.004(4) 
C32 0.048(6) 0.055(7) 0.061(7) -0.009(5) 0.001(5) -0.005(5) 
C33 0.037(6) 0.094(11) 0.083(9) -0.015(8) 0.005(6) -0.009(6) 
C34 0.061(8) 0.093(11) 0.080(9) -0.007(8) 0.019(7) -0.039(8) 
C35 0.069(8) 0.067(8) 0.066(7) 0.000(6) 0.009(6) -0.017(7) 
C36 0.065(7) 0.041(6) 0.050(6) -0.007(5) 0.003(5) 0.001(5) 
C37 0.053(7) 0.109(11) 0.056(7) -0.016(7) -0.012(6) 0.012(7) 
C38 0.076(9) 0.104(11) 0.072(8) -0.012(8) -0.012(7) 0.052(8) 
C39 0.123(15) 0.227(26) 0.072(11) -0.036(13) -0.026(11) 0.105(18) 
C40 0.069(13) 0.333(46) 0.133(22) -0.119(29) 0.001(13) -0.038(24) 
C41 0.101(17) 0.202(26) 0.127(18) -0.071(20) 0.023(13) -0.044(19) 
C42 0.035(7) 0.163(16) 0.095(10) -0.038(10) 0.008(7) -0.016(8) 
C43 0.093(9) 0.059(7) 0.040(6) 0.009(5) -0.014(6) -0.014(7) 
C44 0.153(14) 0.062(9) 0.056(7) 0.005(7) 0.003(8) -0.007(9) 
C45 0.330(33) 0.063(10) 0.079(12) 0.025(9) -0.032(15) -0.025(15) 
C46 0.508(52) 0.081(13) 0.059(11) 0.018(10) -0.034(18) -0.029(21) 
C47 0.343(34) 0.094(14) 0.050(9) 0.010(9) -0.025(14) -0.040(17) 
C48 0.181(17) 0.074(9) 0.058(8) 0.005(7) -0.012(9) -0.038(10) 
C49 0.054(6) 0.031(5) 0.038(5) 0.003(4) 0.001(4) -0.003(4) 
C50 0.066(7) 0.054(7) 0.054(6) 0.006(5) -0.005(5) 0.004(6) 
C51 0.112(12) 0.058(8) 0.061(8) -0.013(6) -0.004(8) -0.002(8) 
C52 0.116(13) 0.075(10) 0.077(9) -0.001(8) -0.014(9) -0.042(9) 
C53 0.060(8) 0.108(11) 0.064(8) -0.011(8) -0.010(6) -0.022(8) 
C54 0.053(6) 0.059(7) 0.054(6) -0.009(5) -0.011(5) 0.005(5) 

_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 C11 1.825(9) . ? 
Ru C10 2.041(9) . ? 
Ru O1 2.077(6) . ? 
Ru N2 2.176(8) . ? 
Ru P1 2.387(3) . ? 
Ru P2 2.395(3) . ? 
P1 C31 1.812(9) . ? 
P1 C19 1.820(10) . ? 
P1 C25 1.823(10) . ? 
P2 C43 1.796(11) . ? 
P2 C49 1.817(9) . ? 
P2 C37 1.838(12) . ? 
N1 C8 1.345(12) . ? 
N1 C13 1.422(12) . ? 
N2 O4 1.220(10) . ? 
N2 O3 1.237(10) . ? 
O1 C1 1.324(10) . ? 
O2 C11 1.120(11) . ? 
O5 C12 1.43(2) . ? 
C1 C2 1.419(13) . ? 
C1 C6 1.437(13) . ? 
C2 C3 1.414(14) . ? 
C2 C9 1.445(13) . ? 
Cl C16 1.713(14) . ? 
C3 C4 1.40(2) . ? 
C4 C5 1.35(2) . ? 
C4 C7 1.521(15) . ? 
C5 C6 1.404(14) . ? 
C6 C8 1.397(14) . ? 
C9 C10 1.351(14) . ? 
C9 C12 1.535(14) . ? 
C13 C18 1.371(14) . ? 
C13 C14 1.399(14) . ? 
C14 C15 1.40(2) . ? 
C15 C16 1.38(2) . ? 
C16 C17 1.35(2) . ? 
C17 C18 1.41(2) . ? 
C19 C24 1.378(12) . ? 
C19 C20 1.405(15) . ? 
C20 C21 1.37(2) . ? 
C21 C22 1.39(2) . ? 
C22 C23 1.35(2) . ? 
C23 C24 1.39(2) . ? 
C25 C30 1.368(14) . ? 
C25 C26 1.391(15) . ? 
C26 C27 1.38(2) . ? 
C27 C28 1.36(2) . ? 
C28 C29 1.36(2) . ? 
C29 C30 1.36(2) . ? 
C31 C36 1.379(13) . ? 
C31 C32 1.400(14) . ? 
C32 C33 1.42(2) . ? 
C33 C34 1.36(2) . ? 
C34 C35 1.36(2) . ? 
C35 C36 1.384(15) . ? 
C37 C42 1.33(2) . ? 
C37 C38 1.46(2) . ? 
C38 C39 1.39(2) . ? 
C39 C40 1.32(3) . ? 
C40 C41 1.38(4) . ? 
C41 C42 1.40(3) . ? 
C43 C44 1.40(2) . ? 
C43 C48 1.42(2) . ? 
C44 C45 1.39(2) . ? 
C45 C46 1.37(2) . ? 
C46 C47 1.41(3) . ? 
C47 C48 1.36(2) . ? 
C49 C50 1.384(14) . ? 
C49 C54 1.412(13) . ? 
C50 C51 1.38(2) . ? 
C51 C52 1.39(2) . ? 
C52 C53 1.37(2) . ? 
C53 C54 1.37(2) . ? 

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 
C11 Ru C10 93.2(4) . . ? 
C11 Ru O1 179.1(3) . . ? 
C10 Ru O1 86.8(3) . . ? 
C11 Ru N2 95.7(4) . . ? 
C10 Ru N2 170.8(3) . . ? 
O1 Ru N2 84.4(3) . . ? 
C11 Ru P1 91.6(3) . . ? 
C10 Ru P1 85.0(3) . . ? 
O1 Ru P1 89.3(2) . . ? 
N2 Ru P1 92.3(2) . . ? 
C11 Ru P2 88.8(3) . . ? 
C10 Ru P2 87.9(3) . . ? 
O1 Ru P2 90.3(2) . . ? 
N2 Ru P2 94.8(2) . . ? 
P1 Ru P2 172.88(9) . . ? 
C31 P1 C19 103.3(3) . . ? 
C31 P1 C25 106.5(4) . . ? 
C19 P1 C25 98.9(3) . . ? 
C31 P1 Ru 110.1(3) . . ? 
C19 P1 Ru 120.3(3) . . ? 
C25 P1 Ru 116.2(3) . . ? 
C43 P2 C49 100.7(5) . . ? 
C43 P2 C37 102.4(6) . . ? 
C49 P2 C37 107.0(5) . . ? 
C43 P2 Ru 119.9(4) . . ? 
C49 P2 Ru 115.2(3) . . ? 
C37 P2 Ru 110.2(3) . . ? 
C8 N1 C13 121.3(8) . . ? 
O4 N2 O3 114.3(9) . . ? 
O4 N2 Ru 121.4(6) . . ? 
O3 N2 Ru 124.3(7) . . ? 
C1 O1 Ru 131.2(6) . . ? 
O1 C1 C2 123.0(8) . . ? 
O1 C1 C6 117.1(9) . . ? 
C2 C1 C6 119.7(8) . . ? 
C3 C2 C1 115.4(9) . . ? 
C3 C2 C9 120.6(9) . . ? 
C1 C2 C9 124.0(8) . . ? 
C4 C3 C2 124.8(10) . . ? 
C5 C4 C3 118.8(10) . . ? 
C5 C4 C7 122.2(12) . . ? 
C3 C4 C7 119.0(11) . . ? 
C4 C5 C6 120.6(11) . . ? 
C8 C6 C5 116.1(9) . . ? 
C8 C6 C1 123.2(9) . . ? 
C5 C6 C1 120.7(10) . . ? 
N1 C8 C6 127.3(9) . . ? 
C10 C9 C2 125.5(9) . . ? 
C10 C9 C12 116.7(10) . . ? 
C2 C9 C12 117.7(10) . . ? 
C9 C10 Ru 128.6(7) . . ? 
O2 C11 Ru 177.3(10) . . ? 
O5 C12 C9 110.3(11) . . ? 
C18 C13 C14 118.4(10) . . ? 
C18 C13 N1 124.9(10) . . ? 
C14 C13 N1 116.7(8) . . ? 
C13 C14 C15 120.5(10) . . ? 
C16 C15 C14 119.1(12) . . ? 
C17 C16 C15 121.5(12) . . ? 
C17 C16 Cl 119.6(10) . . ? 
C15 C16 Cl 118.8(10) . . ? 
C16 C17 C18 119.3(11) . . ? 
C13 C18 C17 121.3(11) . . ? 
C24 C19 C20 118.1(9) . . ? 
C24 C19 P1 121.9(7) . . ? 
C20 C19 P1 119.8(8) . . ? 
C21 C20 C19 121.1(12) . . ? 
C20 C21 C22 119.2(13) . . ? 
C23 C22 C21 121.2(12) . . ? 
C22 C23 C24 119.5(12) . . ? 
C19 C24 C23 120.9(11) . . ? 
C30 C25 C26 117.5(10) . . ? 
C30 C25 P1 119.4(8) . . ? 
C26 C25 P1 123.0(8) . . ? 
C27 C26 C25 120.4(11) . . ? 
C28 C27 C26 120.1(12) . . ? 
C29 C28 C27 119.8(12) . . ? 
C30 C29 C28 120.2(12) . . ? 
C29 C30 C25 122.1(11) . . ? 
C36 C31 C32 118.0(9) . . ? 
C36 C31 P1 122.6(8) . . ? 
C32 C31 P1 118.9(8) . . ? 
C31 C32 C33 120.4(11) . . ? 
C34 C33 C32 118.9(12) . . ? 
C35 C34 C33 121.0(11) . . ? 
C34 C35 C36 120.7(12) . . ? 
C31 C36 C35 120.9(11) . . ? 
C42 C37 C38 119.1(13) . . ? 
C42 C37 P2 120.2(12) . . ? 
C38 C37 P2 120.5(11) . . ? 
C39 C38 C37 117.4(18) . . ? 
C40 C39 C38 119.9(26) . . ? 
C39 C40 C41 124.6(30) . . ? 
C40 C41 C42 116.6(26) . . ? 
C37 C42 C41 122.3(21) . . ? 
C44 C43 C48 117.6(11) . . ? 
C44 C43 P2 122.8(9) . . ? 
C48 C43 P2 118.9(10) . . ? 
C45 C44 C43 120.0(13) . . ? 
C46 C45 C44 119.6(16) . . ? 
C45 C46 C47 122.9(16) . . ? 
C48 C47 C46 116.0(16) . . ? 
C47 C48 C43 123.6(15) . . ? 
C50 C49 C54 118.1(9) . . ? 
C50 C49 P2 125.3(8) . . ? 
C54 C49 P2 116.6(7) . . ? 
C51 C50 C49 120.5(11) . . ? 
C50 C51 C52 119.1(12) . . ? 
C53 C52 C51 122.2(13) . . ? 
C54 C53 C52 117.8(13) . . ? 
C53 C54 C49 122.3(11) . . ? 

_refine_diff_density_max    2.128 
_refine_diff_density_min   -1.035 
_refine_diff_density_rms    0.157 
#=======================================END

data_662rut  (7)

_database_code_CSD	154177


_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C55 H47 Cl N2 O4 P2 Ru' 
_chemical_formula_weight          998.41 
_chemical_melting_point           ? 
_chemical_compound_source         ? 

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' 

_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    C2/c 

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

_cell_length_a                    32.572(7) 
_cell_length_b                    12.269(3) 
_cell_length_c                    26.013(5) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  99.09(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      10264.9(36) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     30 
_cell_measurement_theta_min       7
_cell_measurement_theta_max       14 

_exptl_crystal_description        parallelopiped
_exptl_crystal_colour             violet 
_exptl_crystal_size_max           0.30 
_exptl_crystal_size_mid           0.25 
_exptl_crystal_size_min           0.20 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.292 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              4112 
_exptl_absorpt_coefficient_mu     0.465 
_exptl_absorpt_correction_type    'semi-empirical' 
_exptl_absorpt_correction_T_min   0.840
_exptl_absorpt_correction_T_max   0.910

_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        'Simens R3m/V' 
_diffrn_measurement_method        '\w scan' 
_diffrn_standards_number          2 
_diffrn_standards_interval_count  198 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         0 
_diffrn_reflns_number             5396 
_diffrn_reflns_av_R_equivalents   0.0244 
_diffrn_reflns_av_sigmaI/netI     0.0303 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        20 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -28 
_diffrn_reflns_limit_l_max        27 
_diffrn_reflns_theta_min          1.59 
_diffrn_reflns_theta_max          22.55 
_reflns_number_total              5210 
_reflns_number_observed           4244 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 

_refine_special_details 
; 
Refinement on F^2^ for ALL reflections except for 3 with very negative F^2^ 
or flagged by the user for potential systematic errors.  Weighted R-factors 
wR and all goodnesses 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 observed criterion 
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0795P)^2^+16.4323P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      'Patterson heavy atom method' 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5207 
_refine_ls_number_parameters      586 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0619 
_refine_ls_R_factor_obs           0.0436 
_refine_ls_wR_factor_all          0.1408 
_refine_ls_wR_factor_obs          0.1194 
_refine_ls_goodness_of_fit_all    1.066 
_refine_ls_goodness_of_fit_obs    1.092 
_refine_ls_restrained_S_all       1.147 
_refine_ls_restrained_S_obs       1.092 
_refine_ls_shift/esd_max          -0.001 
_refine_ls_shift/esd_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_thermal_displace_type 
_atom_site_occupancy 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_group 
Ru Ru 0.649385(15) 0.53505(3) 0.807703(15) 0.0401(2) Uani 1 d . . 
P1 P 0.66666(5) 0.72461(12) 0.81346(5) 0.0465(5) Uani 1 d . . 
P2 P 0.63219(5) 0.34624(12) 0.80270(5) 0.0444(4) Uani 1 d . . 
Cl Cl 0.57846(5) 0.58077(14) 0.75940(5) 0.0617(5) Uani 1 d . . 
O1 O 0.61689(12) 0.5529(3) 0.86926(12) 0.0461(11) Uani 1 d . . 
O2 O 0.6981(2) 0.5081(3) 0.7219(2) 0.0689(13) Uani 1 d . . 
O3 O 0.5528(2) 0.4056(7) 1.0438(3) 0.145(3) Uani 1 d . . 
O4 O 0.5435(2) 0.5782(7) 1.0312(2) 0.129(3) Uani 1 d . . 
N1 N 0.5399(2) 0.5815(4) 0.8722(2) 0.062(2) Uani 1 d . . 
H1A H 0.5595(2) 0.5848(4) 0.8538(2) 0.075 Uiso 1 calc R . 
N2 N 0.5622(2) 0.4948(8) 1.0273(2) 0.085(2) Uani 1 d . . 
C1 C 0.6247(2) 0.5264(4) 0.9179(2) 0.042(2) Uani 1 d . . 
C2 C 0.6649(2) 0.4942(4) 0.9426(2) 0.037(2) Uani 1 d . . 
C3 C 0.6690(2) 0.4665(4) 0.9955(2) 0.046(2) Uani 1 d . . 
H3A H 0.6953(2) 0.4475(4) 1.0126(2) 0.055 Uiso 1 calc R . 
C4 C 0.6361(3) 0.4655(5) 1.0242(2) 0.053(2) Uani 1 d . . 
C5 C 0.5981(3) 0.4965(5) 0.9996(2) 0.054(2) Uani 1 d . . 
C6 C 0.5908(2) 0.5299(5) 0.9457(2) 0.049(2) Uani 1 d . . 
C7 C 0.6453(2) 0.4319(6) 1.0818(2) 0.079(2) Uani 1 d . . 
H7A H 0.6741(2) 0.4132(6) 1.0908(2) 0.119 Uiso 1 calc R . 
H7B H 0.6285(2) 0.3701(6) 1.0874(2) 0.119 Uiso 1 calc R . 
H7C H 0.6389(2) 0.4915(6) 1.1031(2) 0.119 Uiso 1 calc R . 
C8 C 0.5499(2) 0.5549(5) 0.9203(2) 0.057(2) Uani 1 d . . 
H8A H 0.5286(2) 0.5515(5) 0.9402(2) 0.069 Uiso 1 calc R . 
C9 C 0.7003(2) 0.4887(4) 0.9150(2) 0.038(2) Uani 1 d . . 
C10 C 0.6985(2) 0.5018(4) 0.8624(2) 0.042(2) Uani 1 d . . 
H10A H 0.7238(2) 0.4943(4) 0.8502(2) 0.051 Uiso 1 calc R . 
C11 C 0.6783(2) 0.5201(4) 0.7549(2) 0.048(2) Uani 1 d . . 
C12 C 0.4982(2) 0.6067(7) 0.8464(2) 0.077(2) Uani 1 d . . 
H12A H 0.4782(2) 0.5821(7) 0.8678(2) 0.093 Uiso 1 calc R . 
H12B H 0.4928(2) 0.5680(7) 0.8135(2) 0.093 Uiso 1 calc R . 
C13 C 0.4929(3) 0.7255(8) 0.8368(4) 0.140(4) Uani 1 d . . 
H13A H 0.4651(3) 0.7397(8) 0.8197(4) 0.210 Uiso 1 calc R . 
H13B H 0.5124(3) 0.7498(8) 0.8151(4) 0.210 Uiso 1 calc R . 
H13C H 0.4978(3) 0.7638(8) 0.8694(4) 0.210 Uiso 1 calc R . 
C14 C 0.7427(2) 0.4646(5) 0.9454(2) 0.042(2) Uani 1 d . . 
C15 C 0.7687(2) 0.5473(5) 0.9644(2) 0.066(2) Uani 1 d . . 
H15A H 0.7595(2) 0.6190(5) 0.9606(2) 0.079 Uiso 1 calc R . 
C16 C 0.8087(3) 0.5258(8) 0.9895(3) 0.087(3) Uani 1 d . . 
H16A H 0.8261(3) 0.5834(8) 1.0018(3) 0.104 Uiso 1 calc R . 
C17 C 0.8230(3) 0.4212(9) 0.9963(3) 0.091(3) Uani 1 d . . 
H17A H 0.8497(3) 0.4067(9) 1.0133(3) 0.109 Uiso 1 calc R . 
C18 C 0.7970(3) 0.3394(7) 0.9777(3) 0.099(3) Uani 1 d . . 
H18A H 0.8062(3) 0.2677(7) 0.9820(3) 0.118 Uiso 1 calc R . 
C19 C 0.7574(3) 0.3592(6) 0.9524(3) 0.078(2) Uani 1 d . . 
H19A H 0.7403(3) 0.3012(6) 0.9400(3) 0.094 Uiso 1 calc R . 
C20 C 0.7189(2) 0.7538(4) 0.8480(2) 0.047(2) Uani 1 d . . 
C21 C 0.7520(3) 0.7163(5) 0.8255(3) 0.060(2) Uani 1 d . . 
H21A H 0.7466(3) 0.6779(5) 0.7943(3) 0.072 Uiso 1 calc R . 
C22 C 0.7925(3) 0.7339(5) 0.8477(3) 0.069(2) Uani 1 d . . 
H22A H 0.8143(3) 0.7086(5) 0.8317(3) 0.083 Uiso 1 calc R . 
C23 C 0.8005(3) 0.7907(6) 0.8947(3) 0.077(2) Uani 1 d . . 
H23A H 0.8278(3) 0.8034(6) 0.9103(3) 0.092 Uiso 1 calc R . 
C24 C 0.7685(3) 0.8275(6) 0.9180(3) 0.068(2) Uani 1 d . . 
H24A H 0.7740(3) 0.8650(6) 0.9493(3) 0.081 Uiso 1 calc R . 
C25 C 0.7281(3) 0.8095(5) 0.8954(2) 0.057(2) Uani 1 d . . 
H25A H 0.7066(3) 0.8345(5) 0.9118(2) 0.069 Uiso 1 calc R . 
C26 C 0.6315(2) 0.8094(5) 0.8451(2) 0.055(2) Uani 1 d . . 
C27 C 0.6073(2) 0.8911(5) 0.8180(3) 0.074(2) Uani 1 d . . 
H27A H 0.6094(2) 0.9048(5) 0.7834(3) 0.089 Uiso 1 calc R . 
C28 C 0.5801(3) 0.9518(6) 0.8425(4) 0.095(3) Uani 1 d . . 
H28A H 0.5637(3) 1.0052(6) 0.8241(4) 0.114 Uiso 1 calc R . 
C29 C 0.5775(3) 0.9334(8) 0.8935(5) 0.104(3) Uani 1 d . . 
H29A H 0.5598(3) 0.9759(8) 0.9099(5) 0.124 Uiso 1 calc R . 
C30 C 0.6006(3) 0.8530(7) 0.9209(3) 0.091(3) Uani 1 d . . 
H30A H 0.5980(3) 0.8399(7) 0.9555(3) 0.109 Uiso 1 calc R . 
C31 C 0.6279(2) 0.7910(5) 0.8970(2) 0.066(2) Uani 1 d . . 
H31A H 0.6438(2) 0.7371(5) 0.9157(2) 0.079 Uiso 1 calc R . 
C32 C 0.6677(2) 0.7978(5) 0.7521(2) 0.049(2) Uani 1 d . . 
C33 C 0.6432(2) 0.7652(5) 0.7069(2) 0.061(2) Uani 1 d . . 
H33A H 0.6264(2) 0.7041(5) 0.7070(2) 0.073 Uiso 1 calc R . 
C34 C 0.6436(2) 0.8233(6) 0.6613(2) 0.078(2) Uani 1 d . . 
H34A H 0.6263(2) 0.8022(6) 0.6310(2) 0.093 Uiso 1 calc R . 
C35 C 0.6691(3) 0.9109(6) 0.6607(3) 0.083(2) Uani 1 d . . 
H35A H 0.6700(3) 0.9477(6) 0.6296(3) 0.099 Uiso 1 calc R . 
C36 C 0.6933(3) 0.9450(5) 0.7052(3) 0.080(2) Uani 1 d . . 
H36A H 0.7101(3) 1.0063(5) 0.7049(3) 0.096 Uiso 1 calc R . 
C37 C 0.6928(2) 0.8875(5) 0.7511(2) 0.062(2) Uani 1 d . . 
H37A H 0.7096(2) 0.9100(5) 0.7815(2) 0.074 Uiso 1 calc R . 
C38 C 0.5895(2) 0.3107(5) 0.8374(2) 0.050(2) Uani 1 d . . 
C39 C 0.5967(2) 0.2903(5) 0.8908(2) 0.060(2) Uani 1 d . . 
H39A H 0.6236(2) 0.2921(5) 0.9091(2) 0.072 Uiso 1 calc R . 
C40 C 0.5638(3) 0.2674(6) 0.9165(3) 0.075(2) Uani 1 d . . 
H40A H 0.5685(3) 0.2528(6) 0.9520(3) 0.090 Uiso 1 calc R . 
C41 C 0.5247(3) 0.2660(7) 0.8900(4) 0.099(3) Uani 1 d . . 
H41A H 0.5028(3) 0.2477(7) 0.9074(4) 0.119 Uiso 1 calc R . 
C42 C 0.5165(3) 0.2913(8) 0.8377(3) 0.111(3) Uani 1 d . . 
H42A H 0.4893(3) 0.2947(8) 0.8203(3) 0.133 Uiso 1 calc R . 
C43 C 0.5492(3) 0.3111(6) 0.8120(3) 0.081(3) Uani 1 d . . 
H43A H 0.5440(3) 0.3253(6) 0.7764(3) 0.097 Uiso 1 calc R . 
C44 C 0.6737(2) 0.2502(4) 0.8259(2) 0.041(2) Uani 1 d . . 
C45 C 0.7122(2) 0.2669(5) 0.8114(2) 0.051(2) Uani 1 d . . 
H45A H 0.7164(2) 0.3286(5) 0.7921(2) 0.061 Uiso 1 calc R . 
C46 C 0.7445(2) 0.1950(5) 0.8247(2) 0.064(2) Uani 1 d . . 
H46A H 0.7701(2) 0.2077(5) 0.8143(2) 0.076 Uiso 1 calc R . 
C47 C 0.7384(3) 0.1032(5) 0.8539(2) 0.064(2) Uani 1 d . . 
H47A H 0.7600(3) 0.0538(5) 0.8632(2) 0.077 Uiso 1 calc R . 
C48 C 0.7011(3) 0.0863(5) 0.8687(3) 0.068(2) Uani 1 d . . 
H48A H 0.6972(3) 0.0257(5) 0.8888(3) 0.081 Uiso 1 calc R . 
C49 C 0.6687(2) 0.1570(5) 0.8545(2) 0.056(2) Uani 1 d . . 
H49A H 0.6430(2) 0.1423(5) 0.8641(2) 0.067 Uiso 1 calc R . 
C50 C 0.6143(2) 0.2893(5) 0.7370(2) 0.051(2) Uani 1 d . . 
C51 C 0.6061(2) 0.3538(5) 0.6941(2) 0.061(2) Uani 1 d . . 
H51A H 0.6087(2) 0.4291(5) 0.6972(2) 0.073 Uiso 1 calc R . 
C52 C 0.5936(2) 0.3068(7) 0.6456(2) 0.076(2) Uani 1 d . . 
H52A H 0.5884(2) 0.3505(7) 0.6161(2) 0.092 Uiso 1 calc R . 
C53 C 0.5891(2) 0.1963(8) 0.6411(3) 0.087(3) Uani 1 d . . 
H53A H 0.5806(2) 0.1654(8) 0.6086(3) 0.104 Uiso 1 calc R . 
C54 C 0.5968(2) 0.1312(6) 0.6838(3) 0.087(2) Uani 1 d . . 
H54A H 0.5935(2) 0.0561(6) 0.6805(3) 0.105 Uiso 1 calc R . 
C55 C 0.6095(2) 0.1770(5) 0.7316(2) 0.070(2) Uani 1 d . . 
H55A H 0.6150(2) 0.1325(5) 0.7608(2) 0.084 Uiso 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 0.0371(5) 0.0476(3) 0.0364(2) 0.0012(2) 0.0080(2) -0.0005(2) 
P1 0.0450(15) 0.0473(8) 0.0482(8) -0.0011(6) 0.0104(7) 0.0002(8) 
P2 0.0407(14) 0.0489(8) 0.0450(8) 0.0003(6) 0.0108(7) -0.0047(7) 
Cl 0.0454(13) 0.0846(11) 0.0526(8) 0.0068(7) -0.0001(7) 0.0075(9) 
O1 0.038(3) 0.066(2) 0.036(2) 0.003(2) 0.011(2) 0.005(2) 
O2 0.074(4) 0.075(3) 0.065(3) 0.000(2) 0.035(3) -0.005(2) 
O3 0.122(7) 0.212(8) 0.119(5) 0.040(5) 0.070(4) -0.030(6) 
O4 0.103(6) 0.209(8) 0.082(4) -0.036(4) 0.032(3) 0.047(6) 
N1 0.031(5) 0.108(4) 0.048(3) -0.010(3) 0.009(3) 0.006(3) 
N2 0.052(7) 0.158(8) 0.048(3) -0.007(4) 0.015(3) -0.006(5) 
C1 0.018(7) 0.055(3) 0.054(4) -0.014(3) 0.013(4) -0.003(3) 
C2 0.014(6) 0.048(3) 0.050(3) -0.005(2) 0.008(3) 0.001(3) 
C3 0.031(6) 0.062(4) 0.044(3) -0.002(3) 0.006(3) 0.002(3) 
C4 0.048(7) 0.067(4) 0.049(4) -0.003(3) 0.017(4) 0.000(4) 
C5 0.035(7) 0.086(4) 0.044(4) -0.006(3) 0.018(4) -0.001(4) 
C6 0.025(7) 0.074(4) 0.051(4) -0.014(3) 0.012(4) 0.004(3) 
C7 0.083(7) 0.111(6) 0.048(4) 0.017(3) 0.022(4) 0.005(4) 
C8 0.028(6) 0.096(5) 0.052(4) -0.017(3) 0.019(4) -0.004(4) 
C9 0.020(6) 0.043(3) 0.053(3) -0.005(2) 0.011(3) 0.000(3) 
C10 0.040(5) 0.048(3) 0.039(3) 0.001(2) 0.007(3) 0.000(3) 
C11 0.051(5) 0.054(3) 0.042(3) 0.002(3) 0.014(3) -0.003(3) 
C12 0.036(6) 0.135(7) 0.059(4) -0.011(4) 0.003(4) 0.004(5) 
C13 0.089(9) 0.123(8) 0.186(10) -0.047(7) -0.046(7) 0.034(6) 
C14 0.024(5) 0.066(4) 0.037(3) 0.002(3) 0.009(3) 0.005(3) 
C15 0.054(7) 0.074(4) 0.065(4) 0.000(3) -0.005(4) -0.007(4) 
C16 0.051(8) 0.121(7) 0.081(5) -0.008(5) -0.012(5) -0.015(5) 
C17 0.069(8) 0.145(8) 0.057(4) 0.016(5) 0.004(4) 0.029(7) 
C18 0.087(9) 0.088(6) 0.114(6) 0.010(5) -0.004(6) 0.034(6) 
C19 0.063(7) 0.067(5) 0.095(5) 0.000(4) -0.014(4) 0.013(4) 
C20 0.033(6) 0.045(3) 0.066(4) 0.003(3) 0.014(3) -0.004(3) 
C21 0.039(8) 0.068(4) 0.076(4) -0.005(3) 0.018(4) -0.001(4) 
C22 0.032(8) 0.081(5) 0.098(5) -0.003(4) 0.021(5) -0.002(4) 
C23 0.053(8) 0.077(5) 0.096(6) 0.002(4) -0.004(5) -0.015(4) 
C24 0.048(8) 0.072(4) 0.079(5) -0.010(4) -0.003(5) -0.014(4) 
C25 0.054(7) 0.052(4) 0.066(4) -0.005(3) 0.012(4) -0.005(3) 
C26 0.048(5) 0.053(4) 0.067(4) -0.014(3) 0.017(3) -0.008(3) 
C27 0.053(6) 0.068(4) 0.102(5) -0.009(4) 0.013(4) 0.001(4) 
C28 0.055(8) 0.077(5) 0.156(9) -0.021(5) 0.025(6) 0.014(4) 
C29 0.076(8) 0.102(7) 0.141(9) -0.052(6) 0.044(7) -0.006(6) 
C30 0.093(8) 0.098(6) 0.091(5) -0.035(5) 0.041(5) -0.022(6) 
C31 0.059(6) 0.076(4) 0.067(4) -0.024(3) 0.021(4) -0.015(4) 
C32 0.047(5) 0.052(3) 0.050(3) 0.004(3) 0.008(3) 0.006(3) 
C33 0.064(6) 0.059(4) 0.062(4) 0.006(3) 0.014(3) 0.003(3) 
C34 0.110(7) 0.068(5) 0.054(4) 0.009(3) 0.009(4) 0.016(5) 
C35 0.115(8) 0.065(5) 0.076(5) 0.027(4) 0.038(5) 0.022(5) 
C36 0.095(7) 0.063(4) 0.087(5) 0.020(4) 0.028(5) 0.000(4) 
C37 0.063(6) 0.058(4) 0.067(4) 0.005(3) 0.018(3) -0.001(4) 
C38 0.040(6) 0.056(3) 0.057(4) -0.001(3) 0.016(4) -0.002(3) 
C39 0.061(7) 0.060(4) 0.062(4) -0.006(3) 0.021(4) -0.005(4) 
C40 0.077(9) 0.087(5) 0.071(5) -0.003(4) 0.039(5) -0.021(5) 
C41 0.063(9) 0.138(8) 0.109(7) 0.008(6) 0.053(6) -0.024(6) 
C42 0.064(9) 0.184(10) 0.090(6) 0.013(6) 0.030(6) -0.020(6) 
C43 0.043(8) 0.130(7) 0.072(5) 0.012(4) 0.019(5) -0.003(5) 
C44 0.028(6) 0.046(3) 0.051(3) -0.005(2) 0.008(3) -0.006(3) 
C45 0.036(7) 0.053(4) 0.065(4) 0.009(3) 0.014(4) 0.000(4) 
C46 0.054(6) 0.069(4) 0.072(4) -0.007(3) 0.021(4) 0.007(4) 
C47 0.055(7) 0.061(4) 0.075(4) 0.003(3) 0.003(4) 0.022(4) 
C48 0.069(8) 0.059(4) 0.081(4) 0.020(3) 0.031(4) 0.018(4) 
C49 0.046(6) 0.059(4) 0.069(4) 0.007(3) 0.025(3) 0.006(4) 
C50 0.036(5) 0.064(4) 0.054(3) -0.006(3) 0.010(3) -0.002(3) 
C51 0.058(6) 0.076(4) 0.048(3) -0.004(3) 0.009(3) -0.007(4) 
C52 0.049(6) 0.127(7) 0.053(4) -0.004(4) 0.006(3) -0.009(5) 
C53 0.055(7) 0.126(7) 0.078(5) -0.048(5) 0.006(4) -0.001(5) 
C54 0.076(7) 0.079(5) 0.103(6) -0.041(5) 0.005(5) 0.000(4) 
C55 0.079(6) 0.066(4) 0.062(4) -0.011(3) 0.007(3) -0.007(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 C11 1.794(6) . ? 
Ru C10 2.008(5) . ? 
Ru O1 2.066(4) . ? 
Ru P2 2.382(2) . ? 
Ru P1 2.392(2) . ? 
Ru Cl 2.512(2) . ? 
P1 C20 1.828(7) . ? 
P1 C26 1.835(6) . ? 
P1 C32 1.838(5) . ? 
P2 C44 1.824(6) . ? 
P2 C38 1.826(7) . ? 
P2 C50 1.852(5) . ? 
O1 C1 1.293(7) . ? 
O2 C11 1.161(6) . ? 
O3 N2 1.233(10) . ? 
O4 N2 1.203(9) . ? 
N1 C8 1.283(7) . ? 
N1 C12 1.448(8) . ? 
N2 C5 1.466(9) . ? 
C1 C6 1.414(8) . ? 
C1 C2 1.420(8) . ? 
C2 C3 1.403(7) . ? 
C2 C9 1.452(8) . ? 
C3 C4 1.401(8) . ? 
C4 C5 1.356(9) . ? 
C4 C7 1.537(8) . ? 
C5 C6 1.445(8) . ? 
C6 C8 1.423(8) . ? 
C9 C10 1.371(7) . ? 
C9 C14 1.508(8) . ? 
C12 C13 1.484(11) . ? 
C14 C15 1.365(8) . ? 
C14 C19 1.381(8) . ? 
C15 C16 1.387(10) . ? 
C16 C17 1.368(11) . ? 
C17 C18 1.352(11) . ? 
C18 C19 1.375(10) . ? 
C20 C21 1.385(8) . ? 
C20 C25 1.401(8) . ? 
C21 C22 1.371(9) . ? 
C22 C23 1.397(10) . ? 
C23 C24 1.364(9) . ? 
C24 C25 1.369(9) . ? 
C26 C31 1.392(8) . ? 
C26 C27 1.396(9) . ? 
C27 C28 1.386(10) . ? 
C28 C29 1.360(12) . ? 
C29 C30 1.371(11) . ? 
C30 C31 1.390(10) . ? 
C32 C33 1.370(8) . ? 
C32 C37 1.372(8) . ? 
C33 C34 1.387(8) . ? 
C34 C35 1.361(10) . ? 
C35 C36 1.361(10) . ? 
C36 C37 1.389(8) . ? 
C38 C43 1.375(9) . ? 
C38 C39 1.395(8) . ? 
C39 C40 1.378(9) . ? 
C40 C41 1.347(10) . ? 
C41 C42 1.382(11) . ? 
C42 C43 1.363(10) . ? 
C44 C45 1.380(8) . ? 
C44 C49 1.387(8) . ? 
C45 C46 1.374(8) . ? 
C46 C47 1.391(9) . ? 
C47 C48 1.349(9) . ? 
C48 C49 1.370(9) . ? 
C50 C51 1.361(8) . ? 
C50 C55 1.391(8) . ? 
C51 C52 1.388(8) . ? 
C52 C53 1.366(10) . ? 
C53 C54 1.358(10) . ? 
C54 C55 1.368(9) . ? 

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 
C11 Ru C10 93.7(2) . . ? 
C11 Ru O1 179.1(2) . . ? 
C10 Ru O1 85.5(2) . . ? 
C11 Ru P2 90.4(2) . . ? 
C10 Ru P2 89.75(15) . . ? 
O1 Ru P2 90.03(11) . . ? 
C11 Ru P1 90.0(2) . . ? 
C10 Ru P1 89.97(15) . . ? 
O1 Ru P1 89.58(11) . . ? 
P2 Ru P1 179.54(5) . . ? 
C11 Ru Cl 101.1(2) . . ? 
C10 Ru Cl 165.2(2) . . ? 
O1 Ru Cl 79.68(11) . . ? 
P2 Ru Cl 90.01(6) . . ? 
P1 Ru Cl 90.16(6) . . ? 
C20 P1 C26 105.4(3) . . ? 
C20 P1 C32 100.8(3) . . ? 
C26 P1 C32 102.2(3) . . ? 
C20 P1 Ru 114.4(2) . . ? 
C26 P1 Ru 115.0(2) . . ? 
C32 P1 Ru 117.2(2) . . ? 
C44 P2 C38 105.4(3) . . ? 
C44 P2 C50 99.8(2) . . ? 
C38 P2 C50 102.3(3) . . ? 
C44 P2 Ru 117.0(2) . . ? 
C38 P2 Ru 113.3(2) . . ? 
C50 P2 Ru 117.0(2) . . ? 
C1 O1 Ru 133.3(4) . . ? 
C8 N1 C12 125.6(6) . . ? 
O4 N2 O3 124.6(9) . . ? 
O4 N2 C5 118.9(8) . . ? 
O3 N2 C5 116.4(8) . . ? 
O1 C1 C6 116.3(6) . . ? 
O1 C1 C2 122.5(6) . . ? 
C6 C1 C2 121.2(6) . . ? 
C3 C2 C1 116.7(6) . . ? 
C3 C2 C9 120.9(6) . . ? 
C1 C2 C9 122.4(5) . . ? 
C4 C3 C2 124.2(6) . . ? 
C5 C4 C3 117.8(6) . . ? 
C5 C4 C7 123.9(7) . . ? 
C3 C4 C7 118.4(7) . . ? 
C4 C5 C6 122.4(7) . . ? 
C4 C5 N2 120.3(6) . . ? 
C6 C5 N2 117.3(7) . . ? 
C1 C6 C8 121.3(6) . . ? 
C1 C6 C5 117.7(7) . . ? 
C8 C6 C5 120.7(6) . . ? 
N1 C8 C6 125.6(6) . . ? 
C10 C9 C2 125.3(6) . . ? 
C10 C9 C14 115.8(5) . . ? 
C2 C9 C14 118.8(5) . . ? 
C9 C10 Ru 129.3(5) . . ? 
O2 C11 Ru 177.5(5) . . ? 
N1 C12 C13 111.3(6) . . ? 
C15 C14 C19 117.7(6) . . ? 
C15 C14 C9 120.7(5) . . ? 
C19 C14 C9 121.5(6) . . ? 
C14 C15 C16 121.0(7) . . ? 
C17 C16 C15 120.9(8) . . ? 
C18 C17 C16 118.1(8) . . ? 
C17 C18 C19 121.8(8) . . ? 
C18 C19 C14 120.6(7) . . ? 
C21 C20 C25 117.4(7) . . ? 
C21 C20 P1 117.0(5) . . ? 
C25 C20 P1 125.6(6) . . ? 
C22 C21 C20 122.1(7) . . ? 
C21 C22 C23 118.8(8) . . ? 
C24 C23 C22 120.2(8) . . ? 
C23 C24 C25 120.4(8) . . ? 
C24 C25 C20 121.0(7) . . ? 
C31 C26 C27 118.6(6) . . ? 
C31 C26 P1 119.8(5) . . ? 
C27 C26 P1 121.6(5) . . ? 
C28 C27 C26 120.3(8) . . ? 
C29 C28 C27 120.1(9) . . ? 
C28 C29 C30 120.9(8) . . ? 
C29 C30 C31 119.8(8) . . ? 
C30 C31 C26 120.3(7) . . ? 
C33 C32 C37 119.1(5) . . ? 
C33 C32 P1 120.9(5) . . ? 
C37 C32 P1 120.1(4) . . ? 
C32 C33 C34 120.1(6) . . ? 
C35 C34 C33 120.3(7) . . ? 
C36 C35 C34 120.4(6) . . ? 
C35 C36 C37 119.4(7) . . ? 
C32 C37 C36 120.7(6) . . ? 
C43 C38 C39 118.4(7) . . ? 
C43 C38 P2 120.4(5) . . ? 
C39 C38 P2 121.0(6) . . ? 
C40 C39 C38 119.9(7) . . ? 
C41 C40 C39 119.9(8) . . ? 
C40 C41 C42 121.3(9) . . ? 
C43 C42 C41 118.7(9) . . ? 
C42 C43 C38 121.6(8) . . ? 
C45 C44 C49 117.3(6) . . ? 
C45 C44 P2 118.2(4) . . ? 
C49 C44 P2 124.4(6) . . ? 
C46 C45 C44 121.8(6) . . ? 
C45 C46 C47 119.3(7) . . ? 
C48 C47 C46 119.5(6) . . ? 
C47 C48 C49 121.1(7) . . ? 
C48 C49 C44 121.0(7) . . ? 
C51 C50 C55 119.2(5) . . ? 
C51 C50 P2 122.1(5) . . ? 
C55 C50 P2 118.8(4) . . ? 
C50 C51 C52 119.8(6) . . ? 
C53 C52 C51 120.1(7) . . ? 
C54 C53 C52 120.8(7) . . ? 
C53 C54 C55 119.4(7) . . ? 
C54 C55 C50 120.8(7) . . ? 

_refine_diff_density_max    0.822 
_refine_diff_density_min   -0.331 
_refine_diff_density_rms    0.066 
#===================================END