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

data_global #  *** Added by check_cif

_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Chang, Ku-Hsien'
'Lin, Ying-Chih'
'Liu, Yi-Hong'
'Wang, Yu'

_publ_contact_author_name     	'Dr Ying-Chih Lin'  
_publ_contact_author_address 
;
Dr Ying-Chih Lin
Department of Chemistry
Natiional Taiwan University
Taipei
106
TAIWAN
;

_publ_contact_author_email       'YCLIN@CCMS.NTU.EDU.TW'

_publ_section_title
;
Reactions of Ruthenium Cyclopropenyl Complexes with Trimethylsilyl
Azide
; 
data_ic5416 

_database_code_CSD	169474


_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C56 H48 F6 N P3 Ru' 
_chemical_formula_weight          1042.93 
_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' 
'F'  'F'   0.0171   0.0103 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'P'  'P'   0.1023   0.0942 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Ru'  'Ru'  -1.2594   0.8363 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 

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                    11.06400(10) 
_cell_length_b                    25.2988(4) 
_cell_length_c                    18.45690(10) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  95.9150(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      5138.69(10) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     8192 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        ? 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           .1 
_exptl_crystal_size_mid           .15 
_exptl_crystal_size_min           .2 
_exptl_crystal_density_meas       not_measured 
_exptl_crystal_density_diffrn     1.348 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              2136 
_exptl_absorpt_coefficient_mu     0.457 
_exptl_absorpt_correction_type    SADABS 
_exptl_absorpt_correction_T_min   0.388 
_exptl_absorpt_correction_T_max   0.492 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       296(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'normal-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'Siemens SMART CCD' 
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             53270 
_diffrn_reflns_av_R_equivalents   0.0737 
_diffrn_reflns_av_sigmaI/netI     0.0494 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -34 
_diffrn_reflns_limit_k_max        33 
_diffrn_reflns_limit_l_min        -24 
_diffrn_reflns_limit_l_max        24 
_diffrn_reflns_theta_min          1.37 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              9045 
_reflns_number_observed           6696 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        'Siemens SMART' 
_computing_cell_refinement        'Siemens SAINT' 
_computing_data_reduction         'Siemens SAINT' 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'Siemens SHELXTL' 
_computing_publication_material   'Siemens SHELXTL' 

_refine_special_details 
; 
Refinement on F^2^ for ALL reflections except for 435 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^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_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          8610 
_refine_ls_number_parameters      604 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0939 
_refine_ls_R_factor_obs           0.0643 
_refine_ls_wR_factor_all          0.1914 
_refine_ls_wR_factor_obs          0.1728 
_refine_ls_goodness_of_fit_all    1.263 
_refine_ls_goodness_of_fit_obs    1.344 
_refine_ls_restrained_S_all       1.269 
_refine_ls_restrained_S_obs       1.344 
_refine_ls_shift/esd_max          0.019 
_refine_ls_shift/esd_mean         0.003 

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 0.46523(3) -0.43220(2) 0.69625(2) 0.0395(2) Uani 1 d . . 
P1 P 0.46783(11) -0.46254(5) 0.81801(7) 0.0390(3) Uani 1 d . . 
P2 P 0.30043(12) -0.48181(5) 0.64131(7) 0.0412(3) Uani 1 d . . 
N N 0.3517(4) -0.3727(2) 0.7200(2) 0.0447(10) Uani 1 d . . 
C1 C 0.2957(6) -0.3377(2) 0.7345(4) 0.066(2) Uani 1 d . . 
C2 C 0.2222(8) -0.2924(3) 0.7582(6) 0.123(4) Uani 1 d . . 
H2A H 0.2004(8) -0.3044(3) 0.8057(6) 0.148 Uiso 1 calc R . 
C3 C 0.2845(8) -0.2459(3) 0.7759(5) 0.110(3) Uani 1 d . . 
H3A H 0.2348(8) -0.2253(3) 0.8058(5) 0.133 Uiso 1 calc R . 
H3B H 0.2881(8) -0.2264(3) 0.7310(5) 0.133 Uiso 1 calc R . 
C4 C 0.5461(7) -0.3906(3) 0.6069(4) 0.080(2) Uani 1 d . . 
H4A H 0.5019(7) -0.3675(3) 0.5707(4) 0.096 Uiso 1 calc R . 
C5 C 0.6073(7) -0.3740(3) 0.6725(5) 0.090(2) Uani 1 d . . 
H5A H 0.6142(7) -0.3375(3) 0.6902(5) 0.107 Uiso 1 calc R . 
C6 C 0.6633(5) -0.4170(4) 0.7052(4) 0.087(2) Uani 1 d . . 
H6A H 0.7172(5) -0.4163(4) 0.7508(4) 0.104 Uiso 1 calc R . 
C7 C 0.6349(6) -0.4634(3) 0.6606(5) 0.081(2) Uani 1 d . . 
H7A H 0.6682(6) -0.4991(3) 0.6682(5) 0.098 Uiso 1 calc R . 
C8 C 0.5625(6) -0.4442(3) 0.5990(4) 0.073(2) Uani 1 d . . 
H8A H 0.5329(6) -0.4652(3) 0.5562(4) 0.088 Uiso 1 calc R . 
C9 C 0.4117(10) -0.2466(4) 0.8147(6) 0.108(3) Uani 1 d . . 
C10 C 0.5058(13) -0.2218(7) 0.7807(7) 0.182(6) Uani 1 d . . 
H10A H 0.4887(13) -0.2051(7) 0.7360(7) 0.218 Uiso 1 calc R . 
C11 C 0.6307(15) -0.2229(9) 0.8166(12) 0.229(10) Uani 1 d . . 
H11A H 0.6984(15) -0.2075(9) 0.7991(12) 0.275 Uiso 1 calc R . 
C12 C 0.6295(28) -0.2506(8) 0.8805(12) 0.225(17) Uani 1 d . . 
H12A H 0.7091(28) -0.2547(8) 0.9013(12) 0.270 Uiso 1 calc R . 
C13 C 0.5570(29) -0.2733(7) 0.9223(14) 0.244(17) Uani 1 d . . 
H13A H 0.5746(29) -0.2876(7) 0.9686(14) 0.293 Uiso 1 calc R . 
C14 C 0.4412(14) -0.2702(3) 0.8774(8) 0.184(7) Uani 1 d . . 
H14A H 0.3775(14) -0.2878(3) 0.8961(8) 0.221 Uiso 1 calc R . 
C15 C 0.0977(7) -0.2891(3) 0.7127(6) 0.086(2) Uani 1 d . . 
C16 C 0.0861(8) -0.2899(3) 0.6398(6) 0.096(2) Uani 1 d . . 
H16A H 0.1542(8) -0.2916(3) 0.6142(6) 0.116 Uiso 1 calc R . 
C17 C -0.0298(11) -0.2880(4) 0.6031(7) 0.136(4) Uani 1 d . . 
H17A H -0.0406(11) -0.2899(4) 0.5525(7) 0.163 Uiso 1 calc R . 
C18 C -0.1279(11) -0.2833(6) 0.6420(11) 0.162(7) Uani 1 d . . 
H18A H -0.2051(11) -0.2805(6) 0.6171(11) 0.194 Uiso 1 calc R . 
C19 C -0.1159(12) -0.2826(5) 0.7145(12) 0.167(7) Uani 1 d . . 
H19A H -0.1843(12) -0.2802(5) 0.7397(12) 0.201 Uiso 1 calc R . 
C20 C -0.0043(10) -0.2853(3) 0.7516(7) 0.122(3) Uani 1 d . . 
H20A H 0.0048(10) -0.2847(3) 0.8022(7) 0.146 Uiso 1 calc R . 
C21 C 0.4301(5) -0.5321(2) 0.8342(3) 0.0420(12) Uani 1 d . . 
C22 C 0.4777(7) -0.5706(2) 0.7915(3) 0.062(2) Uani 1 d . . 
H22A H 0.5264(7) -0.5608(2) 0.7556(3) 0.075 Uiso 1 calc R . 
C23 C 0.4528(8) -0.6235(3) 0.8022(4) 0.084(2) Uani 1 d . . 
H23A H 0.4873(8) -0.6493(3) 0.7749(4) 0.100 Uiso 1 calc R . 
C24 C 0.3777(8) -0.6378(3) 0.8530(4) 0.081(2) Uani 1 d . . 
H24A H 0.3587(8) -0.6732(3) 0.8586(4) 0.097 Uiso 1 calc R . 
C25 C 0.3302(6) -0.6011(3) 0.8953(3) 0.071(2) Uani 1 d . . 
H25A H 0.2809(6) -0.6115(3) 0.9306(3) 0.085 Uiso 1 calc R . 
C26 C 0.3548(5) -0.5482(2) 0.8862(3) 0.0579(15) Uani 1 d . . 
H26A H 0.3209(5) -0.5231(2) 0.9149(3) 0.070 Uiso 1 calc R . 
C27 C 0.6182(5) -0.4558(2) 0.8682(3) 0.0461(12) Uani 1 d . . 
C28 C 0.6691(6) -0.4058(3) 0.8776(3) 0.065(2) Uani 1 d . . 
H28A H 0.6257(6) -0.3767(3) 0.8580(3) 0.078 Uiso 1 calc R . 
C29 C 0.7828(7) -0.3977(3) 0.9152(4) 0.085(2) Uani 1 d . . 
H29A H 0.8166(7) -0.3640(3) 0.9183(4) 0.101 Uiso 1 calc R . 
C30 C 0.8452(7) -0.4399(4) 0.9478(4) 0.086(2) Uani 1 d . . 
H30A H 0.9198(7) -0.4346(4) 0.9749(4) 0.103 Uiso 1 calc R . 
C31 C 0.7961(6) -0.4905(3) 0.9401(3) 0.076(2) Uani 1 d . . 
H31A H 0.8386(6) -0.5193(3) 0.9608(3) 0.091 Uiso 1 calc R . 
C32 C 0.6838(5) -0.4973(2) 0.9012(3) 0.0562(14) Uani 1 d . . 
H32A H 0.6510(5) -0.5312(2) 0.8971(3) 0.067 Uiso 1 calc R . 
C33 C 0.3746(5) -0.4269(2) 0.8803(3) 0.0470(12) Uani 1 d . . 
C34 C 0.2516(5) -0.4186(2) 0.8580(3) 0.0583(15) Uani 1 d . . 
H34A H 0.2187(5) -0.4305(2) 0.8125(3) 0.070 Uiso 1 calc R . 
C35 C 0.1774(6) -0.3925(3) 0.9037(4) 0.074(2) Uani 1 d . . 
H35A H 0.0956(6) -0.3870(3) 0.8885(4) 0.089 Uiso 1 calc R . 
C36 C 0.2260(7) -0.3750(3) 0.9718(4) 0.082(2) Uani 1 d . . 
H36A H 0.1774(7) -0.3577(3) 1.0025(4) 0.098 Uiso 1 calc R . 
C37 C 0.3470(7) -0.3836(3) 0.9931(4) 0.084(2) Uani 1 d . . 
H37A H 0.3802(7) -0.3715(3) 1.0384(4) 0.101 Uiso 1 calc R . 
C38 C 0.4202(6) -0.4096(2) 0.9491(3) 0.0601(15) Uani 1 d . . 
H38A H 0.5013(6) -0.4158(2) 0.9656(3) 0.072 Uiso 1 calc R . 
C39 C 0.3178(6) -0.5521(2) 0.6185(3) 0.0547(14) Uani 1 d . . 
C40 C 0.4335(6) -0.5722(2) 0.6101(3) 0.064(2) Uani 1 d . . 
H40A H 0.5018(6) -0.5508(2) 0.6186(3) 0.077 Uiso 1 calc R . 
C41 C 0.4451(9) -0.6245(3) 0.5888(4) 0.088(2) Uani 1 d . . 
H41A H 0.5218(9) -0.6377(3) 0.5829(4) 0.106 Uiso 1 calc R . 
C42 C 0.3469(12) -0.6565(3) 0.5764(4) 0.105(3) Uani 1 d . . 
H42A H 0.3570(12) -0.6917(3) 0.5635(4) 0.126 Uiso 1 calc R . 
C43 C 0.2328(9) -0.6372(3) 0.5828(4) 0.092(2) Uani 1 d . . 
H43A H 0.1654(9) -0.6591(3) 0.5736(4) 0.111 Uiso 1 calc R . 
C44 C 0.2174(7) -0.5844(2) 0.6031(4) 0.071(2) Uani 1 d . . 
H44A H 0.1398(7) -0.5712(2) 0.6064(4) 0.085 Uiso 1 calc R . 
C45 C 0.1628(4) -0.4826(2) 0.6883(3) 0.0455(12) Uani 1 d . . 
C46 C 0.1439(5) -0.5217(3) 0.7385(3) 0.061(2) Uani 1 d . . 
H46A H 0.1977(5) -0.5499(3) 0.7455(3) 0.073 Uiso 1 calc R . 
C47 C 0.0430(6) -0.5186(3) 0.7788(4) 0.079(2) Uani 1 d . . 
H47A H 0.0301(6) -0.5448(3) 0.8125(4) 0.095 Uiso 1 calc R . 
C48 C -0.0365(6) -0.4768(4) 0.7685(4) 0.085(2) Uani 1 d . . 
H48A H -0.1034(6) -0.4750(4) 0.7950(4) 0.102 Uiso 1 calc R . 
C49 C -0.0179(6) -0.4383(3) 0.7198(4) 0.075(2) Uani 1 d . . 
H49A H -0.0711(6) -0.4098(3) 0.7139(4) 0.090 Uiso 1 calc R . 
C50 C 0.0791(5) -0.4411(2) 0.6793(3) 0.059(2) Uani 1 d . . 
H50A H 0.0894(5) -0.4149(2) 0.6451(3) 0.071 Uiso 1 calc R . 
C51 C 0.2423(5) -0.4538(2) 0.5522(3) 0.0463(12) Uani 1 d . . 
C52 C 0.1887(6) -0.4842(2) 0.4947(3) 0.063(2) Uani 1 d . . 
H52A H 0.1842(6) -0.5207(2) 0.4997(3) 0.075 Uiso 1 calc R . 
C53 C 0.1415(6) -0.4602(3) 0.4295(3) 0.078(2) Uani 1 d . . 
H53A H 0.1089(6) -0.4810(3) 0.3908(3) 0.093 Uiso 1 calc R . 
C54 C 0.1430(7) -0.4064(3) 0.4223(4) 0.084(2) Uani 1 d . . 
H54A H 0.1071(7) -0.3907(3) 0.3799(4) 0.101 Uiso 1 calc R . 
C55 C 0.1972(7) -0.3754(3) 0.4775(4) 0.084(2) Uani 1 d . . 
H55A H 0.2000(7) -0.3389(3) 0.4721(4) 0.101 Uiso 1 calc R . 
C56 C 0.2481(6) -0.3992(2) 0.5421(3) 0.068(2) Uani 1 d . . 
H56A H 0.2866(6) -0.3783(2) 0.5790(3) 0.081 Uiso 1 calc R . 
P3 P 0.5503(2) 0.23088(7) 0.45657(11) 0.0712(5) Uani 1 d . . 
F1 F 0.5825(5) 0.2832(2) 0.4974(4) 0.139(2) Uani 1 d . . 
F2 F 0.6892(5) 0.2147(2) 0.4637(4) 0.145(2) Uani 1 d . . 
F3 F 0.5361(6) 0.2031(3) 0.5297(4) 0.170(3) Uani 1 d . . 
F4 F 0.4138(5) 0.2467(3) 0.4506(4) 0.160(3) Uani 1 d . . 
F5 F 0.5182(7) 0.1785(2) 0.4194(5) 0.217(4) Uani 1 d . . 
F6 F 0.5649(9) 0.2601(3) 0.3848(4) 0.199(4) Uani 1 d . . 

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 0.0344(2) 0.0464(3) 0.0376(2) 0.0041(2) 0.0040(2) 0.0033(2) 
P1 0.0388(7) 0.0406(7) 0.0371(7) -0.0004(5) 0.0019(5) 0.0041(5) 
P2 0.0414(7) 0.0468(8) 0.0355(7) -0.0014(6) 0.0046(5) 0.0022(6) 
N 0.046(2) 0.039(2) 0.047(3) 0.003(2) -0.004(2) 0.004(2) 
C1 0.061(4) 0.057(4) 0.076(4) -0.008(3) -0.012(3) 0.009(3) 
C2 0.094(6) 0.093(6) 0.174(9) -0.063(6) -0.033(6) 0.047(5) 
C3 0.106(6) 0.068(5) 0.147(8) -0.043(5) -0.032(6) 0.025(5) 
C4 0.069(4) 0.099(6) 0.075(5) 0.039(4) 0.027(4) 0.002(4) 
C5 0.063(5) 0.089(6) 0.123(7) -0.006(5) 0.039(5) -0.024(4) 
C6 0.031(3) 0.167(8) 0.063(4) 0.000(5) 0.008(3) -0.014(4) 
C7 0.059(4) 0.090(5) 0.103(6) 0.032(5) 0.045(4) 0.023(4) 
C8 0.059(4) 0.112(6) 0.054(4) -0.003(4) 0.026(3) -0.010(4) 
C9 0.129(8) 0.078(6) 0.106(7) -0.045(5) -0.039(6) 0.042(5) 
C10 0.147(12) 0.268(18) 0.124(10) -0.094(11) -0.018(9) -0.034(12) 
C11 0.126(12) 0.304(24) 0.257(21) -0.200(20) 0.017(13) -0.011(13) 
C12 0.312(35) 0.173(22) 0.159(19) -0.100(16) -0.133(22) 0.143(22) 
C13 0.369(39) 0.085(10) 0.239(28) -0.043(12) -0.159(26) 0.080(15) 
C14 0.273(16) 0.059(5) 0.187(12) -0.027(6) -0.133(12) 0.027(7) 
C15 0.064(4) 0.056(4) 0.136(8) -0.011(4) 0.002(5) 0.019(3) 
C16 0.079(6) 0.078(5) 0.129(8) 0.002(5) -0.001(5) 0.010(4) 
C17 0.110(9) 0.137(9) 0.147(10) -0.008(7) -0.051(8) 0.004(7) 
C18 0.060(7) 0.144(11) 0.271(20) -0.023(13) -0.034(11) 0.013(6) 
C19 0.074(8) 0.120(9) 0.312(22) -0.020(14) 0.043(12) 0.016(6) 
C20 0.101(7) 0.090(6) 0.180(11) 0.002(6) 0.037(7) 0.024(5) 
C21 0.048(3) 0.043(3) 0.033(3) -0.001(2) -0.005(2) 0.004(2) 
C22 0.087(5) 0.050(3) 0.048(3) -0.006(3) 0.001(3) 0.000(3) 
C23 0.140(7) 0.049(4) 0.061(4) -0.017(3) 0.006(4) 0.000(4) 
C24 0.130(7) 0.055(4) 0.056(4) 0.003(3) -0.001(4) -0.023(4) 
C25 0.093(5) 0.069(4) 0.050(4) 0.010(3) 0.004(3) -0.031(4) 
C26 0.071(4) 0.056(3) 0.046(3) 0.000(3) 0.003(3) -0.010(3) 
C27 0.046(3) 0.053(3) 0.038(3) -0.006(2) 0.001(2) -0.002(2) 
C28 0.071(4) 0.059(4) 0.064(4) -0.010(3) -0.002(3) -0.009(3) 
C29 0.074(5) 0.104(6) 0.075(5) -0.025(4) 0.003(4) -0.033(4) 
C30 0.057(4) 0.144(8) 0.054(4) -0.006(4) -0.006(3) -0.024(5) 
C31 0.049(4) 0.118(6) 0.058(4) 0.010(4) -0.008(3) 0.004(4) 
C32 0.052(3) 0.068(4) 0.048(3) 0.004(3) 0.001(3) 0.006(3) 
C33 0.053(3) 0.047(3) 0.041(3) 0.000(2) 0.004(2) 0.008(2) 
C34 0.060(4) 0.068(4) 0.048(3) -0.008(3) 0.008(3) 0.008(3) 
C35 0.062(4) 0.097(5) 0.067(4) -0.007(4) 0.022(3) 0.017(4) 
C36 0.092(5) 0.099(5) 0.059(4) -0.008(4) 0.028(4) 0.032(4) 
C37 0.110(6) 0.096(5) 0.046(4) -0.016(4) 0.001(4) 0.028(5) 
C38 0.067(4) 0.072(4) 0.040(3) -0.006(3) 0.001(3) 0.015(3) 
C39 0.078(4) 0.048(3) 0.038(3) 0.000(2) 0.007(3) 0.000(3) 
C40 0.085(5) 0.060(4) 0.050(3) 0.001(3) 0.018(3) 0.020(3) 
C41 0.122(7) 0.073(5) 0.075(5) -0.004(4) 0.029(5) 0.035(5) 
C42 0.194(11) 0.051(4) 0.074(5) -0.006(4) 0.037(6) 0.016(6) 
C43 0.141(8) 0.064(5) 0.072(5) -0.017(4) 0.015(5) -0.018(5) 
C44 0.087(5) 0.060(4) 0.066(4) -0.009(3) 0.008(3) -0.010(3) 
C45 0.036(3) 0.057(3) 0.043(3) -0.008(2) 0.003(2) -0.006(2) 
C46 0.051(3) 0.088(5) 0.042(3) 0.000(3) 0.002(3) -0.009(3) 
C47 0.064(4) 0.125(6) 0.050(4) 0.010(4) 0.011(3) -0.022(4) 
C48 0.048(4) 0.135(7) 0.074(5) -0.010(5) 0.015(3) -0.002(4) 
C49 0.047(4) 0.095(5) 0.085(5) -0.019(4) 0.011(3) 0.005(3) 
C50 0.043(3) 0.074(4) 0.059(4) -0.008(3) 0.003(3) -0.008(3) 
C51 0.039(3) 0.060(3) 0.040(3) -0.002(2) 0.003(2) -0.004(2) 
C52 0.072(4) 0.063(4) 0.051(3) -0.008(3) -0.001(3) -0.003(3) 
C53 0.087(5) 0.098(6) 0.044(4) -0.003(4) -0.020(3) 0.002(4) 
C54 0.086(5) 0.108(6) 0.053(4) 0.030(4) -0.016(4) -0.006(4) 
C55 0.102(5) 0.072(4) 0.069(5) 0.022(4) -0.032(4) -0.010(4) 
C56 0.080(4) 0.064(4) 0.054(4) 0.009(3) -0.015(3) -0.007(3) 
P3 0.0694(11) 0.0590(10) 0.0839(13) 0.0078(9) 0.0018(9) 0.0062(8) 
F1 0.134(4) 0.102(4) 0.177(6) -0.047(4) -0.007(4) 0.001(3) 
F2 0.092(4) 0.145(5) 0.202(6) -0.014(4) 0.038(4) 0.025(3) 
F3 0.139(5) 0.221(7) 0.154(5) 0.105(5) 0.033(4) 0.039(5) 
F4 0.080(3) 0.175(6) 0.216(7) 0.002(5) -0.031(4) 0.045(4) 
F5 0.218(8) 0.115(5) 0.305(11) -0.105(6) -0.032(7) 0.003(5) 
F6 0.296(10) 0.193(7) 0.117(5) 0.059(5) 0.063(6) 0.031(7) 

_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 N 2.038(4) . ? 
Ru C7 2.199(6) . ? 
Ru C8 2.206(6) . ? 
Ru C6 2.214(6) . ? 
Ru C4 2.221(6) . ? 
Ru C5 2.229(7) . ? 
Ru P2 2.3552(14) . ? 
Ru P1 2.3721(13) . ? 
P1 C27 1.827(5) . ? 
P1 C21 1.840(5) . ? 
P1 C33 1.855(5) . ? 
P2 C45 1.828(5) . ? 
P2 C39 1.842(6) . ? 
P2 C51 1.845(5) . ? 
N C1 1.129(7) . ? 
C1 C2 1.495(9) . ? 
C2 C3 1.386(11) . ? 
C2 C15 1.540(11) . ? 
C3 C9 1.511(11) . ? 
C4 C8 1.378(10) . ? 
C4 C5 1.391(11) . ? 
C5 C6 1.360(11) . ? 
C6 C7 1.451(11) . ? 
C7 C8 1.407(10) . ? 
C9 C14 1.313(14) . ? 
C9 C10 1.42(2) . ? 
C10 C11 1.47(2) . ? 
C11 C12 1.37(3) . ? 
C12 C13 1.30(4) . ? 
C13 C14 1.46(3) . ? 
C15 C16 1.339(11) . ? 
C15 C20 1.402(12) . ? 
C16 C17 1.388(12) . ? 
C17 C18 1.37(2) . ? 
C18 C19 1.33(2) . ? 
C19 C20 1.35(2) . ? 
C21 C22 1.390(8) . ? 
C21 C26 1.395(8) . ? 
C22 C23 1.386(8) . ? 
C23 C24 1.364(10) . ? 
C24 C25 1.354(9) . ? 
C25 C26 1.378(8) . ? 
C27 C32 1.383(7) . ? 
C27 C28 1.389(8) . ? 
C28 C29 1.388(9) . ? 
C29 C30 1.375(10) . ? 
C30 C31 1.391(10) . ? 
C31 C32 1.381(8) . ? 
C33 C38 1.389(7) . ? 
C33 C34 1.396(8) . ? 
C34 C35 1.401(8) . ? 
C35 C36 1.388(9) . ? 
C36 C37 1.373(10) . ? 
C37 C38 1.373(9) . ? 
C39 C44 1.385(9) . ? 
C39 C40 1.401(9) . ? 
C40 C41 1.389(9) . ? 
C41 C42 1.357(12) . ? 
C42 C43 1.370(12) . ? 
C43 C44 1.403(9) . ? 
C45 C46 1.387(8) . ? 
C45 C50 1.397(8) . ? 
C46 C47 1.406(9) . ? 
C47 C48 1.375(10) . ? 
C48 C49 1.356(10) . ? 
C49 C50 1.372(9) . ? 
C51 C52 1.393(7) . ? 
C51 C56 1.394(8) . ? 
C52 C53 1.400(9) . ? 
C53 C54 1.368(10) . ? 
C54 C55 1.373(9) . ? 
C55 C56 1.402(8) . ? 
P3 F5 1.516(6) . ? 
P3 F6 1.541(6) . ? 
P3 F3 1.544(6) . ? 
P3 F1 1.547(5) . ? 
P3 F4 1.556(5) . ? 
P3 F2 1.582(5) . ? 

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 
N Ru C7 153.4(2) . . ? 
N Ru C8 129.8(2) . . ? 
C7 Ru C8 37.3(3) . . ? 
N Ru C6 118.8(3) . . ? 
C7 Ru C6 38.4(3) . . ? 
C8 Ru C6 61.5(3) . . ? 
N Ru C4 96.6(2) . . ? 
C7 Ru C4 61.7(3) . . ? 
C8 Ru C4 36.3(3) . . ? 
C6 Ru C4 60.1(3) . . ? 
N Ru C5 91.0(3) . . ? 
C7 Ru C5 62.4(3) . . ? 
C8 Ru C5 61.2(3) . . ? 
C6 Ru C5 35.6(3) . . ? 
C4 Ru C5 36.4(3) . . ? 
N Ru P2 91.11(12) . . ? 
C7 Ru P2 109.1(2) . . ? 
C8 Ru P2 89.8(2) . . ? 
C6 Ru P2 147.3(2) . . ? 
C4 Ru P2 106.6(2) . . ? 
C5 Ru P2 142.9(3) . . ? 
N Ru P1 89.01(12) . . ? 
C7 Ru P1 103.9(2) . . ? 
C8 Ru P1 140.0(2) . . ? 
C6 Ru P1 94.0(2) . . ? 
C4 Ru P1 152.9(2) . . ? 
C5 Ru P1 117.4(3) . . ? 
P2 Ru P1 99.72(5) . . ? 
C27 P1 C21 102.5(2) . . ? 
C27 P1 C33 100.1(2) . . ? 
C21 P1 C33 102.3(2) . . ? 
C27 P1 Ru 111.8(2) . . ? 
C21 P1 Ru 118.9(2) . . ? 
C33 P1 Ru 118.5(2) . . ? 
C45 P2 C39 102.1(3) . . ? 
C45 P2 C51 101.3(2) . . ? 
C39 P2 C51 101.7(2) . . ? 
C45 P2 Ru 116.5(2) . . ? 
C39 P2 Ru 121.2(2) . . ? 
C51 P2 Ru 111.2(2) . . ? 
C1 N Ru 175.3(5) . . ? 
N C1 C2 176.6(8) . . ? 
C3 C2 C1 116.5(8) . . ? 
C3 C2 C15 118.6(7) . . ? 
C1 C2 C15 111.3(6) . . ? 
C2 C3 C9 121.2(7) . . ? 
C8 C4 C5 109.3(7) . . ? 
C8 C4 Ru 71.3(3) . . ? 
C5 C4 Ru 72.1(4) . . ? 
C6 C5 C4 107.7(7) . . ? 
C6 C5 Ru 71.6(4) . . ? 
C4 C5 Ru 71.5(4) . . ? 
C5 C6 C7 109.4(7) . . ? 
C5 C6 Ru 72.8(4) . . ? 
C7 C6 Ru 70.2(3) . . ? 
C8 C7 C6 104.5(6) . . ? 
C8 C7 Ru 71.7(4) . . ? 
C6 C7 Ru 71.4(4) . . ? 
C4 C8 C7 109.0(7) . . ? 
C4 C8 Ru 72.5(4) . . ? 
C7 C8 Ru 71.1(4) . . ? 
C14 C9 C10 117.7(12) . . ? 
C14 C9 C3 123.8(13) . . ? 
C10 C9 C3 118.5(11) . . ? 
C9 C10 C11 119.6(16) . . ? 
C12 C11 C10 107.7(20) . . ? 
C13 C12 C11 142.7(32) . . ? 
C12 C13 C14 101.4(23) . . ? 
C9 C14 C13 130.6(18) . . ? 
C16 C15 C20 121.1(9) . . ? 
C16 C15 C2 122.4(8) . . ? 
C20 C15 C2 116.5(10) . . ? 
C15 C16 C17 118.6(10) . . ? 
C18 C17 C16 119.4(12) . . ? 
C19 C18 C17 121.8(13) . . ? 
C18 C19 C20 120.0(14) . . ? 
C19 C20 C15 119.1(12) . . ? 
C22 C21 C26 118.2(5) . . ? 
C22 C21 P1 118.2(4) . . ? 
C26 C21 P1 123.6(4) . . ? 
C23 C22 C21 120.3(6) . . ? 
C24 C23 C22 119.8(6) . . ? 
C25 C24 C23 121.1(6) . . ? 
C24 C25 C26 120.1(6) . . ? 
C25 C26 C21 120.5(6) . . ? 
C32 C27 C28 116.7(5) . . ? 
C32 C27 P1 124.2(4) . . ? 
C28 C27 P1 119.0(4) . . ? 
C29 C28 C27 122.1(7) . . ? 
C30 C29 C28 119.6(7) . . ? 
C29 C30 C31 119.7(6) . . ? 
C32 C31 C30 119.3(7) . . ? 
C31 C32 C27 122.5(6) . . ? 
C38 C33 C34 118.2(5) . . ? 
C38 C33 P1 123.2(4) . . ? 
C34 C33 P1 118.6(4) . . ? 
C33 C34 C35 120.5(6) . . ? 
C36 C35 C34 119.9(6) . . ? 
C37 C36 C35 119.0(6) . . ? 
C38 C37 C36 121.6(6) . . ? 
C37 C38 C33 120.8(6) . . ? 
C44 C39 C40 119.0(6) . . ? 
C44 C39 P2 121.1(5) . . ? 
C40 C39 P2 119.6(5) . . ? 
C41 C40 C39 119.3(7) . . ? 
C42 C41 C40 121.5(8) . . ? 
C41 C42 C43 120.1(7) . . ? 
C42 C43 C44 120.0(8) . . ? 
C39 C44 C43 120.1(7) . . ? 
C46 C45 C50 118.1(5) . . ? 
C46 C45 P2 121.0(4) . . ? 
C50 C45 P2 120.7(4) . . ? 
C45 C46 C47 119.8(6) . . ? 
C48 C47 C46 120.1(7) . . ? 
C49 C48 C47 120.4(7) . . ? 
C48 C49 C50 120.3(7) . . ? 
C49 C50 C45 121.4(6) . . ? 
C52 C51 C56 117.9(5) . . ? 
C52 C51 P2 123.2(4) . . ? 
C56 C51 P2 118.8(4) . . ? 
C51 C52 C53 120.4(6) . . ? 
C54 C53 C52 120.5(6) . . ? 
C53 C54 C55 120.3(6) . . ? 
C54 C55 C56 119.5(6) . . ? 
C51 C56 C55 121.2(6) . . ? 
F5 P3 F6 94.0(5) . . ? 
F5 P3 F3 87.5(5) . . ? 
F6 P3 F3 178.4(5) . . ? 
F5 P3 F1 177.7(5) . . ? 
F6 P3 F1 88.2(4) . . ? 
F3 P3 F1 90.2(4) . . ? 
F5 P3 F4 90.7(4) . . ? 
F6 P3 F4 90.1(4) . . ? 
F3 P3 F4 89.6(4) . . ? 
F1 P3 F4 89.3(3) . . ? 
F5 P3 F2 89.6(4) . . ? 
F6 P3 F2 90.5(4) . . ? 
F3 P3 F2 89.7(3) . . ? 
F1 P3 F2 90.4(3) . . ? 
F4 P3 F2 179.2(4) . . ? 

_refine_diff_density_max    0.986 
_refine_diff_density_min   -0.476 
_refine_diff_density_rms    0.085 


data_ic4916 

_database_code_CSD	169475


_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C54 H49 N5 O P2 Ru' 
_chemical_formula_weight          946.99 
_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    P2(1)/n 

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                    13.251(3) 
_cell_length_b                    17.142(3) 
_cell_length_c                    19.855(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  93.17(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      4503.2(16) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     295(2) 
_cell_measurement_reflns_used     25 
_cell_measurement_theta_min       7 
_cell_measurement_theta_max       11 

_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.45 
_exptl_crystal_size_mid           0.25 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.397 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1960 
_exptl_absorpt_coefficient_mu     0.466 
_exptl_absorpt_correction_type    'Empircal from psi-scan' 
_exptl_absorpt_correction_T_min   0.744 
_exptl_absorpt_correction_T_max   0.995 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       295(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        'Nonius CAD-4' 
_diffrn_measurement_method        '\q/2\q scans' 
_diffrn_standards_number          3 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   60 
_diffrn_standards_decay_%         0 
_diffrn_reflns_number             5879 
_diffrn_reflns_av_R_equivalents   0.0000 
_diffrn_reflns_av_sigmaI/netI     0.1022 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        0 
_diffrn_reflns_limit_l_max        21 
_diffrn_reflns_theta_min          1.57 
_diffrn_reflns_theta_max          22.48 
_reflns_number_total              5879 
_reflns_number_observed           3393 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        'Nonius CAD-4 Software' 
_computing_cell_refinement        'Nonius CAD-4 Software' 
_computing_data_reduction         'NRCSDP DATRD2' 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'Siemens SHELXTL' 
_computing_publication_material   'Siemens SHELXTL' 

_refine_special_details 
; 
Refinement on F^2^ for ALL reflections except for 0 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^)+(0.0800P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     ? 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.0003(2) 
_refine_ls_extinction_expression 
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          5879 
_refine_ls_number_parameters      549 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1107 
_refine_ls_R_factor_obs           0.0534 
_refine_ls_wR_factor_all          0.1524 
_refine_ls_wR_factor_obs          0.1312 
_refine_ls_goodness_of_fit_all    0.984 
_refine_ls_goodness_of_fit_obs    1.154 
_refine_ls_restrained_S_all       0.984 
_refine_ls_restrained_S_obs       1.154 
_refine_ls_shift/esd_max          0.000 
_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 0.73227(4) 0.22086(3) 0.17215(3) 0.0293(2) Uani 1 d . . 
P1 P 0.81600(14) 0.34083(11) 0.18863(10) 0.0328(5) Uani 1 d . . 
P2 P 0.58973(13) 0.25582(12) 0.10320(9) 0.0347(5) Uani 1 d . . 
N1 N 0.8096(4) 0.1910(3) 0.0857(3) 0.0314(14) Uani 1 d . . 
N2 N 0.7960(5) 0.1248(4) 0.0568(3) 0.049(2) Uani 1 d . . 
N3 N 0.8653(5) 0.1201(4) 0.0089(3) 0.050(2) Uani 1 d . . 
N4 N 0.8858(4) 0.2322(3) 0.0590(3) 0.0362(14) Uani 1 d . . 
N5 N 1.2572(6) 0.2643(5) -0.0465(5) 0.075(2) Uani 1 d . . 
C1 C 0.9187(5) 0.1869(4) 0.0122(3) 0.036(2) Uani 1 d . . 
C2 C 1.0048(5) 0.2049(5) -0.0312(4) 0.045(2) Uani 1 d . . 
H2A H 1.0224(5) 0.1567(5) -0.0543(4) 0.054 Uiso 1 calc R . 
C3 C 0.9725(5) 0.2648(4) -0.0851(4) 0.042(2) Uani 1 d . . 
C4 C 0.9956(6) 0.3419(5) -0.0804(4) 0.051(2) Uani 1 d . . 
H4A H 1.0340(6) 0.3602(5) -0.0431(4) 0.061 Uiso 1 calc R . 
C5 C 0.9631(7) 0.3933(5) -0.1302(5) 0.059(2) Uani 1 d . . 
H5A H 0.9801(7) 0.4458(5) -0.1264(5) 0.071 Uiso 1 calc R . 
C6 C 0.9053(7) 0.3676(6) -0.1858(5) 0.060(2) Uani 1 d . . 
H6A H 0.8838(7) 0.4022(6) -0.2197(5) 0.072 Uiso 1 calc R . 
C7 C 0.8809(7) 0.2919(6) -0.1899(4) 0.059(2) Uani 1 d . . 
H7A H 0.8408(7) 0.2742(6) -0.2267(4) 0.071 Uiso 1 calc R . 
C8 C 0.9142(6) 0.2392(5) -0.1404(4) 0.055(2) Uani 1 d . . 
H8A H 0.8972(6) 0.1867(5) -0.1445(4) 0.066 Uiso 1 calc R . 
C9 C 1.0960(6) 0.2286(5) 0.0151(4) 0.058(2) Uani 1 d . . 
H9A H 1.0776(6) 0.2733(5) 0.0417(4) 0.070 Uiso 1 calc R . 
H9B H 1.1124(6) 0.1861(5) 0.0460(4) 0.070 Uiso 1 calc R . 
C10 C 1.1870(7) 0.2484(5) -0.0214(4) 0.056(2) Uani 1 d . . 
C11 C 0.7877(6) 0.3815(4) 0.2717(4) 0.037(2) Uani 1 d . . 
C12 C 0.6907(6) 0.4053(5) 0.2827(4) 0.051(2) Uani 1 d . . 
H12A H 0.6420(6) 0.4041(5) 0.2471(4) 0.061 Uiso 1 calc R . 
C13 C 0.6638(7) 0.4311(5) 0.3460(5) 0.061(3) Uani 1 d . . 
H13A H 0.5985(7) 0.4485(5) 0.3523(5) 0.073 Uiso 1 calc R . 
C14 C 0.7355(10) 0.4303(5) 0.3986(5) 0.071(3) Uani 1 d . . 
H14A H 0.7181(10) 0.4459(5) 0.4413(5) 0.086 Uiso 1 calc R . 
C15 C 0.8319(9) 0.4067(6) 0.3888(5) 0.068(3) Uani 1 d . . 
H15A H 0.8800(9) 0.4066(6) 0.4248(5) 0.081 Uiso 1 calc R . 
C16 C 0.8584(6) 0.3831(5) 0.3260(4) 0.050(2) Uani 1 d . . 
H16A H 0.9246(6) 0.3680(5) 0.3198(4) 0.060 Uiso 1 calc R . 
C17 C 0.9535(5) 0.3356(5) 0.1973(4) 0.039(2) Uani 1 d . . 
C18 C 1.0115(6) 0.4028(5) 0.2069(5) 0.065(3) Uani 1 d . . 
H18A H 0.9793(6) 0.4509(5) 0.2088(5) 0.078 Uiso 1 calc R . 
C19 C 1.1167(7) 0.3998(7) 0.2136(6) 0.093(4) Uani 1 d . . 
H19A H 1.1534(7) 0.4453(7) 0.2223(6) 0.111 Uiso 1 calc R . 
C20 C 1.1660(7) 0.3305(7) 0.2076(6) 0.083(3) Uani 1 d . . 
H20A H 1.2363(7) 0.3291(7) 0.2087(6) 0.100 Uiso 1 calc R . 
C21 C 1.1107(6) 0.2623(6) 0.1998(4) 0.058(2) Uani 1 d . . 
H21A H 1.1436(6) 0.2144(6) 0.1985(4) 0.069 Uiso 1 calc R . 
C22 C 1.0049(5) 0.2656(5) 0.1938(4) 0.045(2) Uani 1 d . . 
H22A H 0.9684(5) 0.2197(5) 0.1873(4) 0.054 Uiso 1 calc R . 
C23 C 0.8025(5) 0.4245(4) 0.1297(4) 0.040(2) Uani 1 d . . 
C24 C 0.8622(7) 0.4256(5) 0.0746(4) 0.058(2) Uani 1 d . . 
H24A H 0.9121(7) 0.3880(5) 0.0708(4) 0.070 Uiso 1 calc R . 
C25 C 0.8483(7) 0.4822(5) 0.0252(4) 0.060(2) Uani 1 d . . 
H25A H 0.8874(7) 0.4816(5) -0.0123(4) 0.072 Uiso 1 calc R . 
C26 C 0.7776(8) 0.5385(6) 0.0316(5) 0.066(3) Uani 1 d . . 
H26A H 0.7688(8) 0.5769(6) -0.0013(5) 0.079 Uiso 1 calc R . 
C27 C 0.7201(8) 0.5391(5) 0.0856(5) 0.077(3) Uani 1 d . . 
H27A H 0.6718(8) 0.5778(5) 0.0898(5) 0.092 Uiso 1 calc R . 
C28 C 0.7328(7) 0.4824(5) 0.1346(4) 0.057(2) Uani 1 d . . 
H28A H 0.6930(7) 0.4837(5) 0.1718(4) 0.069 Uiso 1 calc R . 
C29 C 0.5177(5) 0.3409(4) 0.1264(4) 0.041(2) Uani 1 d . . 
C30 C 0.4854(5) 0.3480(5) 0.1915(4) 0.046(2) Uani 1 d . . 
H30A H 0.5003(5) 0.3080(5) 0.2221(4) 0.055 Uiso 1 calc R . 
C31 C 0.4320(6) 0.4118(6) 0.2125(5) 0.060(2) Uani 1 d . . 
H31A H 0.4118(6) 0.4147(6) 0.2565(5) 0.072 Uiso 1 calc R . 
C32 C 0.4093(7) 0.4706(6) 0.1677(6) 0.078(3) Uani 1 d . . 
H32A H 0.3750(7) 0.5146(6) 0.1815(6) 0.094 Uiso 1 calc R . 
C33 C 0.4373(9) 0.4645(6) 0.1022(6) 0.092(4) Uani 1 d . . 
H33A H 0.4199(9) 0.5037(6) 0.0713(6) 0.110 Uiso 1 calc R . 
C34 C 0.4909(7) 0.4006(6) 0.0822(5) 0.074(3) Uani 1 d . . 
H34A H 0.5097(7) 0.3975(6) 0.0378(5) 0.089 Uiso 1 calc R . 
C35 C 0.6021(5) 0.2716(5) 0.0135(3) 0.040(2) Uani 1 d . . 
C36 C 0.6816(6) 0.3148(5) -0.0071(4) 0.052(2) Uani 1 d . . 
H36A H 0.7301(6) 0.3317(5) 0.0253(4) 0.063 Uiso 1 calc R . 
C37 C 0.6935(7) 0.3347(6) -0.0741(4) 0.065(3) Uani 1 d . . 
H37A H 0.7480(7) 0.3649(6) -0.0862(4) 0.078 Uiso 1 calc R . 
C38 C 0.6243(10) 0.3092(7) -0.1206(5) 0.090(4) Uani 1 d . . 
H38A H 0.6344(10) 0.3175(7) -0.1660(5) 0.108 Uiso 1 calc R . 
C39 C 0.5410(11) 0.2720(8) -0.1032(6) 0.123(5) Uani 1 d . . 
H39A H 0.4912(11) 0.2587(8) -0.1360(6) 0.148 Uiso 1 calc R . 
C40 C 0.5284(8) 0.2524(7) -0.0340(5) 0.100(4) Uani 1 d . . 
H40A H 0.4704(8) 0.2269(7) -0.0217(5) 0.120 Uiso 1 calc R . 
C41 C 0.4942(6) 0.1783(5) 0.1003(4) 0.045(2) Uani 1 d . . 
C42 C 0.5230(6) 0.1036(5) 0.0827(4) 0.052(2) Uani 1 d . . 
H42A H 0.5894(6) 0.0948(5) 0.0716(4) 0.063 Uiso 1 calc R . 
C43 C 0.4563(7) 0.0428(5) 0.0810(5) 0.067(3) Uani 1 d . . 
H43A H 0.4778(7) -0.0066(5) 0.0688(5) 0.080 Uiso 1 calc R . 
C44 C 0.3577(6) 0.0539(6) 0.0973(5) 0.065(3) Uani 1 d . . 
H44A H 0.3125(6) 0.0123(6) 0.0965(5) 0.078 Uiso 1 calc R . 
C45 C 0.3278(6) 0.1265(6) 0.1143(5) 0.063(3) Uani 1 d . . 
H45A H 0.2614(6) 0.1343(6) 0.1257(5) 0.076 Uiso 1 calc R . 
C46 C 0.3934(5) 0.1891(5) 0.1154(4) 0.050(2) Uani 1 d . . 
H46A H 0.3705(5) 0.2386(5) 0.1261(4) 0.060 Uiso 1 calc R . 
C47 C 0.6890(7) 0.2057(5) 0.2761(4) 0.052(2) Uani 1 d . . 
H47A H 0.6592(7) 0.2452(5) 0.3048(4) 0.062 Uiso 1 calc R . 
C48 C 0.7932(7) 0.1870(5) 0.2735(4) 0.053(2) Uani 1 d . . 
H48A H 0.8488(7) 0.2131(5) 0.2991(4) 0.063 Uiso 1 calc R . 
C49 C 0.8032(6) 0.1241(4) 0.2299(4) 0.047(2) Uani 1 d . . 
H49A H 0.8666(6) 0.0981(4) 0.2202(4) 0.056 Uiso 1 calc R . 
C50 C 0.7048(6) 0.1007(4) 0.2060(4) 0.043(2) Uani 1 d . . 
H50A H 0.6874(6) 0.0555(4) 0.1774(4) 0.052 Uiso 1 calc R . 
C51 C 0.6376(6) 0.1510(5) 0.2359(4) 0.042(2) Uani 1 d . . 
H51A H 0.5638(6) 0.1473(5) 0.2300(4) 0.051 Uiso 1 calc R . 
O O 0.0995(5) 0.0345(4) 0.0398(3) 0.083(2) Uiso 1 d . . 
C52 C 0.0851(5) 0.0236(4) 0.0993(4) 0.035(2) Uiso 1 d . . 
C53 C 0.0591(6) 0.0764(5) 0.1323(4) 0.052(2) Uiso 1 d . . 
H53A H 0.0509(6) 0.1220(5) 0.1045(4) 0.078 Uiso 1 calc R . 
H53B H 0.1092(6) 0.0863(5) 0.1681(4) 0.078 Uiso 1 calc R . 
H53C H -0.0041(6) 0.0639(5) 0.1511(4) 0.078 Uiso 1 calc R . 
C54 C 0.1006(6) -0.0383(5) 0.1197(4) 0.053(2) Uiso 1 d . . 
H54A H 0.1208(6) -0.0713(5) 0.0838(4) 0.080 Uiso 1 calc R . 
H54B H 0.0403(6) -0.0589(5) 0.1377(4) 0.080 Uiso 1 calc R . 
H54C H 0.1536(6) -0.0365(5) 0.1547(4) 0.080 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 0.0255(3) 0.0312(3) 0.0318(3) -0.0001(3) 0.0063(2) -0.0008(3) 
P1 0.0238(10) 0.0332(11) 0.0414(11) -0.0019(9) 0.0028(8) 0.0008(9) 
P2 0.0249(10) 0.0432(12) 0.0361(11) 0.0008(9) 0.0041(8) -0.0017(9) 
N1 0.027(3) 0.035(4) 0.033(3) -0.004(3) 0.004(3) -0.002(3) 
N2 0.041(4) 0.056(5) 0.053(4) -0.019(4) 0.024(3) -0.018(3) 
N3 0.035(4) 0.059(5) 0.059(4) -0.009(4) 0.023(3) -0.011(3) 
N4 0.035(3) 0.030(4) 0.044(4) 0.004(3) 0.009(3) -0.003(3) 
N5 0.039(4) 0.077(6) 0.113(7) 0.002(5) 0.026(5) -0.005(4) 
C1 0.030(4) 0.043(5) 0.035(4) -0.002(4) 0.005(3) -0.007(4) 
C2 0.037(4) 0.053(6) 0.046(5) 0.003(4) 0.015(4) -0.011(4) 
C3 0.038(4) 0.045(6) 0.044(5) -0.010(4) 0.019(4) -0.009(4) 
C4 0.053(5) 0.052(5) 0.048(5) -0.004(5) 0.005(4) -0.013(5) 
C5 0.065(6) 0.042(5) 0.074(6) -0.001(5) 0.023(5) -0.008(5) 
C6 0.064(6) 0.060(7) 0.059(6) 0.014(5) 0.027(5) 0.011(5) 
C7 0.061(6) 0.071(7) 0.045(5) -0.008(5) 0.003(4) -0.007(5) 
C8 0.060(6) 0.056(6) 0.050(5) -0.001(5) 0.014(4) -0.007(5) 
C9 0.039(5) 0.065(6) 0.072(6) 0.007(5) 0.010(4) -0.010(5) 
C10 0.038(5) 0.064(6) 0.068(6) 0.012(5) 0.011(4) 0.006(4) 
C11 0.039(5) 0.032(4) 0.042(5) -0.001(4) 0.009(4) 0.002(4) 
C12 0.057(6) 0.039(5) 0.057(5) -0.014(4) -0.001(4) 0.004(4) 
C13 0.074(7) 0.037(5) 0.076(7) -0.010(5) 0.040(6) -0.003(5) 
C14 0.122(10) 0.046(6) 0.048(6) -0.001(5) 0.022(6) -0.016(6) 
C15 0.090(8) 0.063(7) 0.050(6) -0.008(5) -0.001(5) -0.015(6) 
C16 0.051(5) 0.053(6) 0.045(5) -0.004(4) -0.002(4) -0.007(4) 
C17 0.020(4) 0.047(5) 0.050(5) 0.005(4) 0.007(3) -0.001(4) 
C18 0.034(5) 0.055(6) 0.105(8) 0.020(5) -0.003(5) -0.009(4) 
C19 0.047(7) 0.083(8) 0.146(11) 0.020(8) -0.012(7) -0.020(6) 
C20 0.042(6) 0.077(8) 0.130(10) 0.020(7) -0.004(6) -0.005(6) 
C21 0.038(5) 0.075(7) 0.060(5) 0.008(5) -0.001(4) 0.019(5) 
C22 0.033(4) 0.059(6) 0.042(4) 0.002(4) -0.001(3) 0.004(4) 
C23 0.032(4) 0.036(5) 0.051(5) -0.004(4) -0.004(4) 0.001(4) 
C24 0.064(6) 0.048(6) 0.062(6) 0.003(5) 0.009(5) 0.010(5) 
C25 0.071(7) 0.053(6) 0.058(6) 0.010(5) 0.012(5) -0.014(5) 
C26 0.087(7) 0.047(6) 0.062(6) 0.011(5) -0.007(6) -0.009(6) 
C27 0.093(8) 0.048(6) 0.087(8) 0.008(6) -0.016(7) 0.036(6) 
C28 0.068(6) 0.058(6) 0.048(5) 0.009(5) 0.016(4) 0.016(5) 
C29 0.032(4) 0.043(5) 0.049(5) 0.003(4) 0.001(4) -0.002(4) 
C30 0.030(4) 0.059(6) 0.048(5) 0.000(4) 0.004(4) -0.003(4) 
C31 0.041(5) 0.070(7) 0.068(6) -0.019(5) 0.010(4) 0.006(5) 
C32 0.061(6) 0.057(7) 0.118(9) 0.005(7) 0.016(6) 0.029(5) 
C33 0.114(10) 0.071(8) 0.093(9) 0.020(7) 0.032(7) 0.039(7) 
C34 0.076(7) 0.075(7) 0.074(7) 0.018(6) 0.028(5) 0.029(6) 
C35 0.030(4) 0.050(5) 0.040(4) 0.002(4) -0.001(3) -0.008(4) 
C36 0.046(5) 0.070(6) 0.040(5) 0.005(4) -0.010(4) 0.004(5) 
C37 0.056(6) 0.087(7) 0.053(6) 0.016(5) 0.011(5) -0.008(5) 
C38 0.119(10) 0.111(9) 0.040(6) -0.001(6) 0.000(6) -0.038(8) 
C39 0.143(12) 0.151(12) 0.068(8) 0.019(8) -0.057(8) -0.086(10) 
C40 0.094(8) 0.149(11) 0.054(6) 0.022(6) -0.028(6) -0.077(8) 
C41 0.034(5) 0.057(6) 0.043(5) -0.001(4) 0.006(4) -0.005(4) 
C42 0.028(5) 0.057(6) 0.073(6) -0.012(5) 0.009(4) -0.008(4) 
C43 0.051(6) 0.044(6) 0.104(8) -0.013(5) -0.001(5) 0.000(5) 
C44 0.036(5) 0.065(7) 0.095(7) -0.008(6) 0.004(5) -0.017(5) 
C45 0.024(5) 0.080(7) 0.086(7) -0.005(6) 0.008(4) -0.009(5) 
C46 0.025(4) 0.062(6) 0.064(6) 0.000(5) 0.007(4) -0.001(4) 
C47 0.073(6) 0.041(5) 0.043(5) 0.006(4) 0.018(4) 0.010(5) 
C48 0.074(7) 0.046(5) 0.036(5) 0.013(4) -0.016(4) -0.010(5) 
C49 0.048(5) 0.038(5) 0.056(5) 0.022(4) 0.011(4) 0.006(4) 
C50 0.059(6) 0.034(4) 0.037(4) 0.002(4) 0.014(4) -0.010(4) 
C51 0.040(5) 0.044(5) 0.044(5) 0.009(4) 0.013(4) -0.004(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 N1 2.111(6) . ? 
Ru C51 2.188(7) . ? 
Ru C47 2.189(8) . ? 
Ru C49 2.198(7) . ? 
Ru C48 2.203(7) . ? 
Ru C50 2.203(7) . ? 
Ru P2 2.348(2) . ? 
Ru P1 2.351(2) . ? 
P1 C17 1.823(7) . ? 
P1 C11 1.848(7) . ? 
P1 C23 1.853(8) . ? 
P2 C29 1.816(8) . ? 
P2 C35 1.818(7) . ? 
P2 C41 1.834(8) . ? 
N1 N2 1.279(8) . ? 
N1 N4 1.362(7) . ? 
N2 N3 1.361(8) . ? 
N3 C1 1.345(9) . ? 
N4 C1 1.305(9) . ? 
N5 C10 1.113(10) . ? 
C1 C2 1.499(10) . ? 
C2 C3 1.527(10) . ? 
C2 C9 1.532(10) . ? 
C3 C4 1.360(11) . ? 
C3 C8 1.378(11) . ? 
C4 C5 1.375(11) . ? 
C5 C6 1.379(12) . ? 
C6 C7 1.339(12) . ? 
C7 C8 1.389(11) . ? 
C9 C10 1.480(12) . ? 
C11 C12 1.377(10) . ? 
C11 C16 1.388(10) . ? 
C12 C13 1.398(11) . ? 
C13 C14 1.373(13) . ? 
C14 C15 1.365(13) . ? 
C15 C16 1.375(12) . ? 
C17 C22 1.383(10) . ? 
C17 C18 1.393(11) . ? 
C18 C19 1.393(12) . ? 
C19 C20 1.365(14) . ? 
C20 C21 1.385(13) . ? 
C21 C22 1.401(10) . ? 
C23 C28 1.364(11) . ? 
C23 C24 1.385(11) . ? 
C24 C25 1.384(11) . ? 
C25 C26 1.357(13) . ? 
C26 C27 1.349(13) . ? 
C27 C28 1.379(12) . ? 
C29 C34 1.380(11) . ? 
C29 C30 1.389(10) . ? 
C30 C31 1.379(11) . ? 
C31 C32 1.366(13) . ? 
C32 C33 1.377(13) . ? 
C33 C34 1.376(13) . ? 
C35 C40 1.360(11) . ? 
C35 C36 1.369(11) . ? 
C36 C37 1.390(11) . ? 
C37 C38 1.338(12) . ? 
C38 C39 1.337(15) . ? 
C39 C40 1.432(14) . ? 
C41 C42 1.386(11) . ? 
C41 C46 1.398(10) . ? 
C42 C43 1.367(11) . ? 
C43 C44 1.376(12) . ? 
C44 C45 1.355(12) . ? 
C45 C46 1.381(11) . ? 
C47 C51 1.387(11) . ? 
C47 C48 1.422(11) . ? 
C48 C49 1.393(11) . ? 
C49 C50 1.421(10) . ? 
C50 C51 1.396(10) . ? 
O C52 1.223(9) . ? 
C52 C54 1.150(9) . ? 
C52 C53 1.180(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 
N1 Ru C51 131.1(3) . . ? 
N1 Ru C47 154.6(3) . . ? 
C51 Ru C47 36.9(3) . . ? 
N1 Ru C49 91.7(3) . . ? 
C51 Ru C49 61.8(3) . . ? 
C47 Ru C49 63.0(3) . . ? 
N1 Ru C48 120.6(3) . . ? 
C51 Ru C48 61.4(3) . . ? 
C47 Ru C48 37.8(3) . . ? 
C49 Ru C48 36.9(3) . . ? 
N1 Ru C50 96.7(3) . . ? 
C51 Ru C50 37.1(3) . . ? 
C47 Ru C50 63.0(3) . . ? 
C49 Ru C50 37.7(3) . . ? 
C48 Ru C50 62.2(3) . . ? 
N1 Ru P2 89.9(2) . . ? 
C51 Ru P2 90.5(2) . . ? 
C47 Ru P2 109.6(2) . . ? 
C49 Ru P2 143.5(2) . . ? 
C48 Ru P2 147.3(3) . . ? 
C50 Ru P2 106.0(2) . . ? 
N1 Ru P1 94.5(2) . . ? 
C51 Ru P1 132.8(2) . . ? 
C47 Ru P1 96.8(2) . . ? 
C49 Ru P1 113.7(2) . . ? 
C48 Ru P1 87.5(2) . . ? 
C50 Ru P1 149.3(2) . . ? 
P2 Ru P1 102.48(7) . . ? 
C17 P1 C11 100.7(3) . . ? 
C17 P1 C23 99.1(3) . . ? 
C11 P1 C23 104.7(3) . . ? 
C17 P1 Ru 115.6(3) . . ? 
C11 P1 Ru 109.7(2) . . ? 
C23 P1 Ru 124.1(2) . . ? 
C29 P2 C35 101.9(4) . . ? 
C29 P2 C41 102.6(4) . . ? 
C35 P2 C41 100.2(3) . . ? 
C29 P2 Ru 118.3(2) . . ? 
C35 P2 Ru 119.7(2) . . ? 
C41 P2 Ru 111.4(3) . . ? 
N2 N1 N4 112.0(5) . . ? 
N2 N1 Ru 121.1(4) . . ? 
N4 N1 Ru 126.4(4) . . ? 
N1 N2 N3 106.4(6) . . ? 
C1 N3 N2 106.8(6) . . ? 
C1 N4 N1 104.6(6) . . ? 
N4 C1 N3 110.2(6) . . ? 
N4 C1 C2 125.5(7) . . ? 
N3 C1 C2 124.3(7) . . ? 
C1 C2 C3 110.4(6) . . ? 
C1 C2 C9 108.1(6) . . ? 
C3 C2 C9 115.1(7) . . ? 
C4 C3 C8 118.5(8) . . ? 
C4 C3 C2 123.5(7) . . ? 
C8 C3 C2 117.9(7) . . ? 
C3 C4 C5 120.9(8) . . ? 
C4 C5 C6 120.6(8) . . ? 
C7 C6 C5 118.6(9) . . ? 
C6 C7 C8 121.4(8) . . ? 
C3 C8 C7 120.0(8) . . ? 
C10 C9 C2 113.8(7) . . ? 
N5 C10 C9 177.2(10) . . ? 
C12 C11 C16 117.8(7) . . ? 
C12 C11 P1 119.3(6) . . ? 
C16 C11 P1 122.6(6) . . ? 
C11 C12 C13 121.6(8) . . ? 
C14 C13 C12 118.7(9) . . ? 
C15 C14 C13 120.6(9) . . ? 
C14 C15 C16 120.3(9) . . ? 
C15 C16 C11 121.0(8) . . ? 
C22 C17 C18 117.0(7) . . ? 
C22 C17 P1 122.1(6) . . ? 
C18 C17 P1 120.9(6) . . ? 
C19 C18 C17 121.6(9) . . ? 
C20 C19 C18 120.4(10) . . ? 
C19 C20 C21 119.4(9) . . ? 
C20 C21 C22 119.8(9) . . ? 
C17 C22 C21 121.6(8) . . ? 
C28 C23 C24 117.7(8) . . ? 
C28 C23 P1 124.1(6) . . ? 
C24 C23 P1 118.0(6) . . ? 
C25 C24 C23 120.7(8) . . ? 
C26 C25 C24 119.8(9) . . ? 
C27 C26 C25 120.2(9) . . ? 
C26 C27 C28 120.3(9) . . ? 
C23 C28 C27 121.2(8) . . ? 
C34 C29 C30 116.4(8) . . ? 
C34 C29 P2 123.7(7) . . ? 
C30 C29 P2 119.9(6) . . ? 
C31 C30 C29 122.7(8) . . ? 
C32 C31 C30 119.1(9) . . ? 
C31 C32 C33 119.9(9) . . ? 
C34 C33 C32 120.2(10) . . ? 
C33 C34 C29 121.7(9) . . ? 
C40 C35 C36 117.3(8) . . ? 
C40 C35 P2 122.9(6) . . ? 
C36 C35 P2 119.1(5) . . ? 
C35 C36 C37 123.3(8) . . ? 
C38 C37 C36 118.0(9) . . ? 
C39 C38 C37 121.5(10) . . ? 
C38 C39 C40 120.0(9) . . ? 
C35 C40 C39 119.4(9) . . ? 
C42 C41 C46 117.1(7) . . ? 
C42 C41 P2 118.6(6) . . ? 
C46 C41 P2 124.3(7) . . ? 
C43 C42 C41 121.6(8) . . ? 
C42 C43 C44 120.7(9) . . ? 
C45 C44 C43 118.7(8) . . ? 
C44 C45 C46 121.6(8) . . ? 
C45 C46 C41 120.2(8) . . ? 
C51 C47 C48 105.8(7) . . ? 
C51 C47 Ru 71.5(4) . . ? 
C48 C47 Ru 71.6(4) . . ? 
C49 C48 C47 108.9(8) . . ? 
C49 C48 Ru 71.4(4) . . ? 
C47 C48 Ru 70.6(4) . . ? 
C48 C49 C50 108.0(7) . . ? 
C48 C49 Ru 71.7(4) . . ? 
C50 C49 Ru 71.4(4) . . ? 
C51 C50 C49 106.2(7) . . ? 
C51 C50 Ru 70.9(4) . . ? 
C49 C50 Ru 71.0(4) . . ? 
C47 C51 C50 111.0(7) . . ? 
C47 C51 Ru 71.6(4) . . ? 
C50 C51 Ru 72.1(4) . . ? 
C54 C52 C53 124.4(9) . . ? 
C54 C52 O 116.6(8) . . ? 
C53 C52 O 118.9(8) . . ? 

_refine_diff_density_max    0.786 
_refine_diff_density_min   -1.216 
_refine_diff_density_rms    0.101