# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2004


data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Prof Jose Gimeno'
_publ_contact_author_address     
;
Departamento de Quimica Organica e Inorganica
Universidad de Oviedo
C/ Julian Claveria s/n
Oviedo
33006
SPAIN
;

_publ_contact_author_email       JGH@FQ.UNIOVI.ES

_publ_section_title              
;
A new class of tethered-arene ruthenium(II)
complexes with pendant P and C donor atoms: Synthesis of ç6:ç1:ç1
phosphonio-azabutadienyl ruthenabicycles via allenylidene intermediates
;
loop_
_publ_author_name
'Jose Gimeno'
'Victorio Cadierno'
'Josefina Diez'
'Joaquin Garcia-Alvarez'

data_vcm300
_database_code_depnum_ccdc_archive 'CCDC 236842'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H32 Cl F3 N3 P2 Ru, F6 Sb'
_chemical_formula_sum            'C48 H32 Cl F9 N3 P2 Ru Sb'
_chemical_formula_weight         1141.98
_chemical_compound_source        synthesis

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'

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                   39.587(7)
_cell_length_b                   12.430(2)
_cell_length_c                   20.522(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.306(7)
_cell_angle_gamma                90.00
_cell_volume                     8973(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    5627
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       Prismatic
_exptl_crystal_colour            Orange
_exptl_crystal_size_max          0.125
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.025
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4512
_exptl_absorpt_coefficient_mu    9.392
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.3752
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_process_details   'XABS2 (Parkin S, Moezzi B & Hope H,1995)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_device       '95 mm CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f and \w scan'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            54554
_diffrn_reflns_av_R_equivalents  0.095
_diffrn_reflns_av_sigmaI/netI    0.1116
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.51
_diffrn_reflns_theta_max         58.87
_reflns_number_total             5843
_reflns_number_gt                3478
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collet (Nonius BV, 1997-2000)'
_computing_cell_refinement       'HKL Scalepack (Otwinowki & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'DIRDIF-99 (Beurskens, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0885P)^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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5843
_refine_ls_number_parameters     581
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.1175
_refine_ls_R_factor_gt           0.0603
_refine_ls_wR_factor_ref         0.1652
_refine_ls_wR_factor_gt          0.1392
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_restrained_S_all      0.969
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0192(3) 0.2539(8) 0.1002(6) 0.059(3) Uani 1 1 d . . .
H1 H 0.0118 0.2375 0.1360 0.071 Uiso 1 1 calc R . .
C2 C 0.0003(3) 0.2060(9) 0.0304(7) 0.070(3) Uani 1 1 d . . .
H2 H -0.0196 0.1584 0.0204 0.084 Uiso 1 1 calc R . .
C3 C 0.0112(3) 0.2290(9) -0.0237(6) 0.063(3) Uani 1 1 d . . .
H3 H -0.0007 0.1949 -0.0690 0.076 Uiso 1 1 calc R . .
C4 C 0.0400(3) 0.3040(8) -0.0090(6) 0.064(3) Uani 1 1 d . . .
H4 H 0.0471 0.3197 -0.0453 0.076 Uiso 1 1 calc R . .
C5 C 0.0583(3) 0.3555(7) 0.0582(6) 0.052(3) Uani 1 1 d . . .
H5 H 0.0763 0.4084 0.0659 0.062 Uiso 1 1 calc R . .
C6 C 0.0490(3) 0.3261(7) 0.1157(5) 0.050(3) Uani 1 1 d . . .
C7 C 0.0749(3) 0.3549(7) 0.1934(6) 0.052(3) Uani 1 1 d . . .
C8 C 0.0654(3) 0.4500(8) 0.2251(6) 0.054(3) Uani 1 1 d . . .
C9 C 0.0534(3) 0.5433(9) 0.1844(6) 0.068(3) Uani 1 1 d . . .
H9 H 0.0504 0.5448 0.1367 0.081 Uiso 1 1 calc R . .
C10 C 0.0457(3) 0.6352(9) 0.2141(7) 0.077(3) Uani 1 1 d . . .
H10 H 0.0389 0.6989 0.1874 0.092 Uiso 1 1 calc R . .
C11 C 0.0484(4) 0.6310(9) 0.2837(7) 0.083(4) Uani 1 1 d . . .
H11 H 0.0433 0.6923 0.3035 0.099 Uiso 1 1 calc R . .
C12 C 0.0583(4) 0.5393(11) 0.3231(7) 0.097(4) Uani 1 1 d . . .
H12 H 0.0589 0.5367 0.3689 0.116 Uiso 1 1 calc R . .
C13 C 0.0678(3) 0.4482(9) 0.2949(6) 0.077(4) Uani 1 1 d . . .
H13 H 0.0757 0.3858 0.3230 0.093 Uiso 1 1 calc R . .
C14 C 0.1049(3) 0.2855(7) 0.2274(5) 0.047(2) Uani 1 1 d . . .
C15 C 0.1336(3) 0.2979(8) 0.3039(5) 0.056(3) Uani 1 1 d D . .
C23 C 0.1090(3) 0.1960(7) 0.1833(5) 0.042(2) Uani 1 1 d . . .
C24 C 0.2041(3) 0.0618(9) 0.2147(5) 0.051(3) Uani 1 1 d . . .
C25 C 0.2228(3) 0.1535(8) 0.2491(6) 0.064(3) Uani 1 1 d . . .
H25 H 0.2105 0.2075 0.2612 0.076 Uiso 1 1 calc R . .
C26 C 0.2609(4) 0.1639(10) 0.2656(7) 0.083(4) Uani 1 1 d . . .
H26 H 0.2740 0.2261 0.2887 0.100 Uiso 1 1 calc R . .
C27 C 0.2793(3) 0.0861(12) 0.2488(7) 0.079(4) Uani 1 1 d . . .
H27 H 0.3046 0.0957 0.2597 0.095 Uiso 1 1 calc R . .
C28 C 0.2607(4) -0.0090(10) 0.2151(6) 0.073(3) Uani 1 1 d . . .
H28 H 0.2735 -0.0637 0.2047 0.088 Uiso 1 1 calc R . .
C29 C 0.2233(3) -0.0192(8) 0.1980(6) 0.069(3) Uani 1 1 d . . .
H29 H 0.2103 -0.0814 0.1748 0.082 Uiso 1 1 calc R . .
C30 C 0.1567(3) -0.0763(7) 0.2500(5) 0.046(2) Uani 1 1 d . . .
C31 C 0.1801(3) -0.0641(9) 0.3257(6) 0.064(3) Uani 1 1 d . . .
H31 H 0.1930 0.0001 0.3443 0.076 Uiso 1 1 calc R . .
C32 C 0.1835(3) -0.1476(11) 0.3716(6) 0.069(3) Uani 1 1 d . . .
H32 H 0.1987 -0.1395 0.4218 0.083 Uiso 1 1 calc R . .
C33 C 0.1649(4) -0.2436(10) 0.3446(8) 0.074(4) Uani 1 1 d . . .
H33 H 0.1677 -0.2997 0.3766 0.089 Uiso 1 1 calc R . .
C34 C 0.1425(4) -0.2566(9) 0.2710(7) 0.073(3) Uani 1 1 d . . .
H34 H 0.1304 -0.3219 0.2528 0.088 Uiso 1 1 calc R . .
C35 C 0.1378(3) -0.1717(8) 0.2229(6) 0.060(3) Uani 1 1 d . . .
H35 H 0.1220 -0.1796 0.1729 0.072 Uiso 1 1 calc R . .
C36 C 0.1318(3) 0.0006(7) 0.0977(5) 0.048(2) Uani 1 1 d . . .
H36A H 0.1129 -0.0547 0.0888 0.058 Uiso 1 1 calc R . .
H36B H 0.1501 -0.0270 0.0825 0.058 Uiso 1 1 calc R . .
C37 C 0.1498(3) 0.2052(8) 0.0603(5) 0.046(2) Uani 1 1 d . . .
C38 C 0.1521(3) 0.3096(8) 0.0851(6) 0.060(3) Uani 1 1 d . . .
H38 H 0.1323 0.3386 0.0920 0.072 Uiso 1 1 calc R . .
C39 C 0.1842(4) 0.3717(9) 0.0996(6) 0.076(3) Uani 1 1 d . . .
H39 H 0.1857 0.4420 0.1161 0.091 Uiso 1 1 calc R . .
C40 C 0.2133(3) 0.3299(9) 0.0897(6) 0.069(3) Uani 1 1 d . . .
H40 H 0.2347 0.3713 0.0999 0.083 Uiso 1 1 calc R . .
C41 C 0.2109(3) 0.2263(10) 0.0647(5) 0.061(3) Uani 1 1 d . . .
H41 H 0.2308 0.1975 0.0579 0.073 Uiso 1 1 calc R . .
C42 C 0.1794(3) 0.1652(8) 0.0497(5) 0.055(3) Uani 1 1 d . . .
H42 H 0.1780 0.0956 0.0321 0.066 Uiso 1 1 calc R . .
C43 C 0.0880(3) 0.0781(8) -0.0509(5) 0.052(3) Uani 1 1 d . . .
C44 C 0.0965(3) 0.1278(8) -0.1013(6) 0.064(3) Uani 1 1 d . . .
H44 H 0.1141 0.1837 -0.0864 0.077 Uiso 1 1 calc R . .
C45 C 0.0792(4) 0.0953(10) -0.1743(6) 0.074(3) Uani 1 1 d . . .
H45 H 0.0860 0.1267 -0.2076 0.089 Uiso 1 1 calc R . .
C46 C 0.0525(4) 0.0181(10) -0.1961(6) 0.078(4) Uani 1 1 d . . .
H46 H 0.0400 -0.0019 -0.2452 0.094 Uiso 1 1 calc R . .
C47 C 0.0438(5) -0.0307(11) -0.1466(7) 0.130(7) Uani 1 1 d . . .
H47 H 0.0259 -0.0859 -0.1615 0.156 Uiso 1 1 calc R . .
C48 C 0.0613(4) 0.0015(10) -0.0741(7) 0.106(5) Uani 1 1 d . . .
H48 H 0.0545 -0.0306 -0.0409 0.127 Uiso 1 1 calc R . .
Cl1 Cl 0.05557(7) 0.00240(18) 0.11084(13) 0.0594(7) Uani 1 1 d . . .
F4 F 0.08174(19) 0.7451(5) 0.0574(3) 0.098(2) Uani 1 1 d . . .
F5 F 0.0635(2) 0.5703(5) -0.0211(3) 0.097(2) Uani 1 1 d . . .
F6 F 0.12233(19) 0.5693(5) 0.1076(3) 0.0855(19) Uani 1 1 d . . .
F7 F 0.1325(3) 0.5663(6) -0.0118(4) 0.123(3) Uani 1 1 d . . .
F8 F 0.0902(2) 0.7335(6) -0.0614(4) 0.115(3) Uani 1 1 d . . .
F9 F 0.14999(19) 0.7388(6) 0.0703(4) 0.104(2) Uani 1 1 d . . .
N1 N 0.1397(2) 0.1399(6) 0.2188(4) 0.0435(19) Uani 1 1 d . . .
P1 P 0.15550(7) 0.03448(19) 0.19324(13) 0.0462(7) Uani 1 1 d . . .
P2 P 0.10887(7) 0.12231(19) 0.04500(13) 0.0490(7) Uani 1 1 d . . .
Ru1 Ru 0.06506(2) 0.18286(6) 0.08110(4) 0.0481(3) Uani 1 1 d . . .
Sb1 Sb 0.10638(2) 0.65240(5) 0.02288(4) 0.0651(3) Uani 1 1 d . . .
C17 C 0.1540(4) 0.3960(10) 0.3169(7) 0.125(9) Uani 1 1 d D . .
C16 C 0.1391(3) 0.2126(9) 0.3538(5) 0.067(3) Uani 1 1 d D . .
F1 F 0.1170(2) 0.1288(5) 0.3319(3) 0.0824(19) Uani 1 1 d . . .
F2 F 0.1541(3) 0.4706(6) 0.2879(6) 0.114(3) Uani 1 1 d . . .
F3 F 0.1721(3) 0.1189(7) 0.4727(5) 0.132(3) Uiso 1 1 d . . .
C20 C 0.1803(4) 0.3896(9) 0.3924(7) 0.155(11) Uani 1 1 d D . .
C18 C 0.1685(3) 0.2166(10) 0.4272(5) 0.105(5) Uani 1 1 d D . .
C19 C 0.1914(3) 0.3106(11) 0.4483(5) 0.185(13) Uani 1 1 d D . .
C21 C 0.2092(4) 0.4815(10) 0.4286(8) 0.168(10) Uani 1 1 d D . .
N3 N 0.2464(4) 0.298(2) 0.5854(6) 0.336(18) Uani 1 1 d D . .
C22 C 0.2222(3) 0.2970(16) 0.5283(6) 0.212(13) Uani 1 1 d D . .
N2 N 0.2334(4) 0.5354(11) 0.4646(8) 0.196(8) Uani 1 1 d D . .
CT01 C 0.0297 0.2791 0.0453 0.010 Uiso 0.00 1 d P . .

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
C1 0.031(7) 0.065(7) 0.069(8) 0.017(6) 0.013(6) -0.003(6)
C2 0.042(7) 0.068(7) 0.089(10) 0.008(7) 0.022(7) -0.003(6)
C3 0.041(7) 0.067(8) 0.060(8) 0.005(6) 0.005(6) -0.004(6)
C4 0.079(9) 0.054(7) 0.045(7) 0.006(5) 0.017(6) 0.016(7)
C5 0.045(7) 0.043(6) 0.061(7) 0.012(5) 0.019(6) 0.015(5)
C6 0.045(7) 0.055(6) 0.049(7) 0.003(5) 0.020(5) 0.015(6)
C7 0.052(7) 0.049(6) 0.062(7) 0.002(5) 0.033(6) 0.000(6)
C8 0.047(7) 0.056(7) 0.057(7) 0.002(6) 0.023(5) 0.006(6)
C9 0.074(9) 0.063(8) 0.069(8) 0.005(7) 0.036(7) 0.011(7)
C10 0.073(9) 0.058(8) 0.083(10) 0.007(7) 0.021(7) 0.014(6)
C11 0.092(10) 0.070(9) 0.081(10) -0.007(7) 0.035(8) 0.034(7)
C12 0.127(13) 0.086(9) 0.077(9) 0.016(8) 0.047(9) 0.059(9)
C13 0.090(10) 0.079(9) 0.076(9) 0.026(7) 0.050(7) 0.038(7)
C14 0.045(7) 0.048(6) 0.050(6) -0.008(5) 0.024(6) -0.002(6)
C15 0.043(7) 0.074(8) 0.056(7) -0.003(6) 0.027(6) 0.012(6)
C23 0.033(6) 0.038(5) 0.058(6) 0.004(5) 0.022(5) 0.001(5)
C24 0.038(6) 0.062(7) 0.051(6) 0.015(6) 0.019(5) 0.013(6)
C25 0.043(8) 0.058(7) 0.069(7) -0.010(6) 0.007(6) -0.004(6)
C26 0.069(11) 0.076(9) 0.092(10) 0.000(7) 0.026(8) -0.008(8)
C27 0.035(7) 0.101(10) 0.099(10) 0.031(8) 0.028(7) 0.000(8)
C28 0.059(9) 0.074(9) 0.100(10) 0.007(7) 0.047(8) 0.003(7)
C29 0.059(9) 0.062(7) 0.089(9) 0.005(6) 0.037(7) 0.000(7)
C30 0.054(7) 0.042(6) 0.044(6) 0.004(5) 0.024(5) 0.000(5)
C31 0.069(8) 0.070(7) 0.055(8) 0.013(6) 0.031(6) 0.002(6)
C32 0.061(8) 0.097(10) 0.053(7) 0.024(7) 0.029(6) 0.021(7)
C33 0.081(10) 0.073(9) 0.097(11) 0.040(8) 0.065(9) 0.029(8)
C34 0.078(9) 0.074(8) 0.081(10) 0.003(7) 0.048(8) 0.004(7)
C35 0.057(8) 0.059(7) 0.060(7) 0.014(6) 0.025(6) 0.008(6)
C36 0.050(7) 0.045(6) 0.050(6) 0.000(5) 0.023(5) -0.002(5)
C37 0.041(7) 0.050(7) 0.039(6) 0.001(5) 0.012(5) -0.002(5)
C38 0.043(7) 0.052(7) 0.081(8) -0.001(6) 0.025(6) -0.003(6)
C39 0.053(8) 0.067(8) 0.092(9) -0.011(6) 0.021(7) 0.000(7)
C40 0.048(8) 0.065(8) 0.088(9) 0.002(7) 0.025(7) -0.012(7)
C41 0.041(7) 0.085(9) 0.064(7) 0.001(6) 0.030(6) -0.004(7)
C42 0.061(8) 0.055(7) 0.052(7) -0.002(5) 0.030(6) -0.002(6)
C43 0.050(7) 0.061(7) 0.039(6) 0.003(5) 0.016(5) -0.008(6)
C44 0.057(8) 0.079(8) 0.053(8) -0.003(6) 0.022(6) -0.022(6)
C45 0.086(10) 0.096(9) 0.050(8) 0.000(7) 0.038(7) -0.011(8)
C46 0.090(10) 0.093(9) 0.034(7) -0.008(7) 0.013(6) -0.018(8)
C47 0.190(17) 0.125(12) 0.057(9) -0.021(8) 0.040(10) -0.102(12)
C48 0.145(13) 0.120(11) 0.059(9) -0.022(8) 0.051(9) -0.086(11)
Cl1 0.0586(18) 0.0554(15) 0.0632(16) 0.0005(12) 0.0272(14) -0.0112(13)
F4 0.080(5) 0.107(5) 0.096(5) -0.023(4) 0.031(4) 0.026(4)
F5 0.104(6) 0.097(5) 0.078(5) 0.003(4) 0.031(4) -0.021(4)
F6 0.094(5) 0.082(4) 0.082(4) 0.019(3) 0.042(4) 0.001(4)
F7 0.170(8) 0.118(6) 0.123(6) 0.012(5) 0.102(6) 0.048(6)
F8 0.143(7) 0.103(5) 0.099(5) 0.025(4) 0.054(5) 0.005(5)
F9 0.073(5) 0.112(5) 0.124(6) 0.008(4) 0.044(5) -0.014(4)
N1 0.038(5) 0.047(5) 0.043(5) -0.007(4) 0.016(4) -0.009(4)
P1 0.0466(17) 0.0466(15) 0.0441(15) 0.0017(12) 0.0199(13) 0.0024(13)
P2 0.0490(17) 0.0512(16) 0.0446(15) 0.0019(12) 0.0194(13) -0.0044(13)
Ru1 0.0405(5) 0.0519(5) 0.0469(5) 0.0026(4) 0.0157(4) -0.0031(4)
Sb1 0.0754(6) 0.0587(5) 0.0671(5) 0.0054(4) 0.0379(5) 0.0071(4)
C17 0.037(9) 0.169(19) 0.153(18) -0.137(17) 0.029(10) -0.046(12)
C16 0.057(8) 0.091(10) 0.052(8) 0.001(7) 0.026(6) 0.021(7)
F1 0.112(6) 0.071(4) 0.075(4) 0.015(3) 0.053(4) 0.007(4)
F2 0.112(7) 0.062(5) 0.197(9) -0.040(5) 0.096(7) -0.035(5)
C20 0.18(3) 0.069(11) 0.32(4) -0.038(14) 0.20(3) -0.004(12)
C18 0.117(13) 0.158(14) 0.053(9) 0.027(9) 0.051(9) 0.083(11)
C19 0.028(8) 0.35(3) 0.135(16) -0.20(2) 0.004(10) 0.011(15)
C21 0.100(13) 0.201(19) 0.26(2) -0.203(17) 0.133(14) -0.119(13)
N3 0.080(11) 0.77(5) 0.090(11) -0.17(2) -0.017(9) 0.12(2)
C22 0.058(11) 0.45(4) 0.101(13) -0.125(18) 0.009(10) 0.069(16)
N2 0.29(3) 0.146(13) 0.23(2) -0.047(13) 0.19(2) -0.032(15)

_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
C1 C6 1.399(13) . ?
C1 C2 1.407(14) . ?
C1 Ru1 2.210(10) . ?
C1 H1 0.9300 . ?
C2 C3 1.392(14) . ?
C2 Ru1 2.299(11) . ?
C2 H2 0.9300 . ?
C3 C4 1.395(14) . ?
C3 Ru1 2.301(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(13) . ?
C4 Ru1 2.233(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.435(13) . ?
C5 Ru1 2.186(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.489(13) . ?
C6 Ru1 2.119(9) . ?
C7 C14 1.373(13) . ?
C7 C8 1.478(13) . ?
C8 C9 1.380(13) . ?
C8 C13 1.392(13) . ?
C9 C10 1.392(14) . ?
C9 H9 0.9300 . ?
C10 C11 1.384(15) . ?
C10 H10 0.9300 . ?
C11 C12 1.347(14) . ?
C11 H11 0.9300 . ?
C12 C13 1.400(14) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.463(13) . ?
C14 C23 1.490(12) . ?
C15 C16 1.419(2) . ?
C15 C17 1.420(2) . ?
C23 N1 1.297(11) . ?
C23 Ru1 2.026(10) . ?
C24 C25 1.366(13) . ?
C24 C29 1.395(13) . ?
C24 P1 1.800(10) . ?
C25 C26 1.392(16) . ?
C25 H25 0.9300 . ?
C26 C27 1.346(16) . ?
C26 H26 0.9300 . ?
C27 C28 1.395(16) . ?
C27 H27 0.9300 . ?
C28 C29 1.362(15) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C35 1.376(13) . ?
C30 C31 1.404(13) . ?
C30 P1 1.790(9) . ?
C31 C32 1.366(13) . ?
C31 H31 0.9300 . ?
C32 C33 1.378(15) . ?
C32 H32 0.9300 . ?
C33 C34 1.367(15) . ?
C33 H33 0.9300 . ?
C34 C35 1.397(14) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 P1 1.794(9) . ?
C36 P2 1.839(9) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C42 1.380(13) . ?
C37 C38 1.382(12) . ?
C37 P2 1.821(10) . ?
C38 C39 1.398(14) . ?
C38 H38 0.9300 . ?
C39 C40 1.360(15) . ?
C39 H39 0.9300 . ?
C40 C41 1.373(13) . ?
C40 H40 0.9300 . ?
C41 C42 1.369(13) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C48 1.337(14) . ?
C43 C44 1.373(12) . ?
C43 P2 1.834(9) . ?
C44 C45 1.391(13) . ?
C44 H44 0.9300 . ?
C45 C46 1.344(14) . ?
C45 H45 0.9300 . ?
C46 C47 1.358(15) . ?
C46 H46 0.9300 . ?
C47 C48 1.381(15) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
Cl1 Ru1 2.399(2) . ?
F4 Sb1 1.848(6) . ?
F5 Sb1 1.826(7) . ?
F6 Sb1 1.866(6) . ?
F7 Sb1 1.844(6) . ?
F8 Sb1 1.844(6) . ?
F9 Sb1 1.882(7) . ?
N1 P1 1.638(8) . ?
P2 Ru1 2.302(3) . ?
Ru1 CT01 1.7288(8) . ?
C17 F2 1.103(14) . ?
C17 C20 1.418(2) . ?
C16 F1 1.302(11) . ?
C16 C18 1.420(2) . ?
F3 C18 1.499(13) . ?
C20 C19 1.418(2) . ?
C20 C21 1.544(2) . ?
C18 C19 1.4193(15) . ?
C19 C22 1.542(2) . ?
C21 N2 1.124(2) . ?
N3 C22 1.122(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
C6 C1 C2 120.1(10) . . ?
C6 C1 Ru1 67.7(5) . . ?
C2 C1 Ru1 75.3(6) . . ?
C6 C1 H1 119.9 . . ?
C2 C1 H1 119.9 . . ?
Ru1 C1 H1 129.4 . . ?
C3 C2 C1 120.7(10) . . ?
C3 C2 Ru1 72.5(6) . . ?
C1 C2 Ru1 68.4(6) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
Ru1 C2 H2 132.6 . . ?
C2 C3 C4 119.1(10) . . ?
C2 C3 Ru1 72.3(6) . . ?
C4 C3 Ru1 69.4(6) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
Ru1 C3 H3 130.3 . . ?
C5 C4 C3 121.7(10) . . ?
C5 C4 Ru1 69.9(5) . . ?
C3 C4 Ru1 74.8(6) . . ?
C5 C4 H4 119.1 . . ?
C3 C4 H4 119.1 . . ?
Ru1 C4 H4 128.5 . . ?
C4 C5 C6 119.2(10) . . ?
C4 C5 Ru1 73.6(6) . . ?
C6 C5 Ru1 68.0(5) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
Ru1 C5 H5 130.5 . . ?
C1 C6 C5 118.9(9) . . ?
C1 C6 C7 119.5(9) . . ?
C5 C6 C7 120.7(9) . . ?
C1 C6 Ru1 74.7(6) . . ?
C5 C6 Ru1 73.1(5) . . ?
C7 C6 Ru1 113.4(6) . . ?
C14 C7 C8 127.8(9) . . ?
C14 C7 C6 113.7(8) . . ?
C8 C7 C6 118.4(9) . . ?
C9 C8 C13 118.6(9) . . ?
C9 C8 C7 119.5(9) . . ?
C13 C8 C7 121.9(9) . . ?
C8 C9 C10 120.5(10) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C11 C10 C9 119.5(10) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C12 C11 C10 121.0(10) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C11 C12 C13 119.7(11) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C8 C13 C12 120.5(10) . . ?
C8 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C7 C14 C15 122.9(8) . . ?
C7 C14 C23 118.1(9) . . ?
C15 C14 C23 119.0(9) . . ?
C16 C15 C17 128.3(11) . . ?
C16 C15 C14 118.9(9) . . ?
C17 C15 C14 112.7(8) . . ?
N1 C23 C14 113.3(8) . . ?
N1 C23 Ru1 132.6(7) . . ?
C14 C23 Ru1 114.1(7) . . ?
C25 C24 C29 120.2(10) . . ?
C25 C24 P1 123.3(9) . . ?
C29 C24 P1 116.4(9) . . ?
C24 C25 C26 118.2(10) . . ?
C24 C25 H25 120.9 . . ?
C26 C25 H25 120.9 . . ?
C27 C26 C25 121.5(12) . . ?
C27 C26 H26 119.2 . . ?
C25 C26 H26 119.2 . . ?
C26 C27 C28 120.8(11) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 H27 119.6 . . ?
C29 C28 C27 118.1(11) . . ?
C29 C28 H28 121.0 . . ?
C27 C28 H28 121.0 . . ?
C28 C29 C24 121.2(11) . . ?
C28 C29 H29 119.4 . . ?
C24 C29 H29 119.4 . . ?
C35 C30 C31 120.0(9) . . ?
C35 C30 P1 123.5(8) . . ?
C31 C30 P1 116.4(8) . . ?
C32 C31 C30 119.2(10) . . ?
C32 C31 H31 120.4 . . ?
C30 C31 H31 120.4 . . ?
C31 C32 C33 121.0(11) . . ?
C31 C32 H32 119.5 . . ?
C33 C32 H32 119.5 . . ?
C34 C33 C32 120.2(10) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 120.0(11) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C30 C35 C34 119.6(10) . . ?
C30 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
P1 C36 P2 108.6(4) . . ?
P1 C36 H36A 110.0 . . ?
P2 C36 H36A 110.0 . . ?
P1 C36 H36B 110.0 . . ?
P2 C36 H36B 110.0 . . ?
H36A C36 H36B 108.4 . . ?
C42 C37 C38 118.6(9) . . ?
C42 C37 P2 121.5(8) . . ?
C38 C37 P2 119.9(8) . . ?
C37 C38 C39 119.8(10) . . ?
C37 C38 H38 120.1 . . ?
C39 C38 H38 120.1 . . ?
C40 C39 C38 120.5(10) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C39 C40 C41 119.8(11) . . ?
C39 C40 H40 120.1 . . ?
C41 C40 H40 120.1 . . ?
C42 C41 C40 120.2(10) . . ?
C42 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?
C41 C42 C37 121.2(10) . . ?
C41 C42 H42 119.4 . . ?
C37 C42 H42 119.4 . . ?
C48 C43 C44 118.6(9) . . ?
C48 C43 P2 119.3(8) . . ?
C44 C43 P2 121.8(8) . . ?
C43 C44 C45 120.7(10) . . ?
C43 C44 H44 119.6 . . ?
C45 C44 H44 119.6 . . ?
C46 C45 C44 119.4(10) . . ?
C46 C45 H45 120.3 . . ?
C44 C45 H45 120.3 . . ?
C45 C46 C47 120.0(10) . . ?
C45 C46 H46 120.0 . . ?
C47 C46 H46 120.0 . . ?
C46 C47 C48 120.2(12) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C43 C48 C47 121.0(10) . . ?
C43 C48 H48 119.5 . . ?
C47 C48 H48 119.5 . . ?
C23 N1 P1 130.3(7) . . ?
N1 P1 C30 107.9(4) . . ?
N1 P1 C36 117.0(4) . . ?
C30 P1 C36 112.1(4) . . ?
N1 P1 C24 107.1(5) . . ?
C30 P1 C24 106.2(4) . . ?
C36 P1 C24 106.0(5) . . ?
C37 P2 C43 106.4(4) . . ?
C37 P2 C36 101.7(4) . . ?
C43 P2 C36 104.0(4) . . ?
C37 P2 Ru1 120.1(3) . . ?
C43 P2 Ru1 114.0(3) . . ?
C36 P2 Ru1 108.8(3) . . ?
CT01 Ru1 C23 121.9(3) . . ?
CT01 Ru1 C6 41.6(3) . . ?
C23 Ru1 C6 80.3(4) . . ?
CT01 Ru1 C5 40.0(3) . . ?
C23 Ru1 C5 96.1(4) . . ?
C6 Ru1 C5 38.9(3) . . ?
CT01 Ru1 C1 39.4(3) . . ?
C23 Ru1 C1 99.8(4) . . ?
C6 Ru1 C1 37.6(4) . . ?
C5 Ru1 C1 67.4(4) . . ?
CT01 Ru1 C4 38.4(3) . . ?
C23 Ru1 C4 130.3(4) . . ?
C6 Ru1 C4 67.9(4) . . ?
C5 Ru1 C4 36.5(3) . . ?
C1 Ru1 C4 77.8(4) . . ?
CT01 Ru1 C2 37.2(3) . . ?
C23 Ru1 C2 135.1(4) . . ?
C6 Ru1 C2 66.6(4) . . ?
C5 Ru1 C2 77.2(4) . . ?
C1 Ru1 C2 36.3(3) . . ?
C4 Ru1 C2 64.0(4) . . ?
CT01 Ru1 C3 37.6(3) . . ?
C23 Ru1 C3 159.2(4) . . ?
C6 Ru1 C3 79.2(4) . . ?
C5 Ru1 C3 65.5(4) . . ?
C1 Ru1 C3 65.2(4) . . ?
C4 Ru1 C3 35.8(4) . . ?
C2 Ru1 C3 35.2(4) . . ?
CT01 Ru1 P2 132.28(7) . . ?
C23 Ru1 P2 86.7(3) . . ?
C6 Ru1 P2 140.2(3) . . ?
C5 Ru1 P2 106.7(3) . . ?
C1 Ru1 P2 171.5(3) . . ?
C4 Ru1 P2 93.9(3) . . ?
C2 Ru1 P2 138.0(3) . . ?
C3 Ru1 P2 107.0(3) . . ?
CT01 Ru1 Cl1 124.33(7) . . ?
C23 Ru1 Cl1 88.4(2) . . ?
C6 Ru1 Cl1 126.5(3) . . ?
C5 Ru1 Cl1 162.6(3) . . ?
C1 Ru1 Cl1 95.2(3) . . ?
C4 Ru1 Cl1 141.2(3) . . ?
C2 Ru1 Cl1 87.7(3) . . ?
C3 Ru1 Cl1 106.5(3) . . ?
P2 Ru1 Cl1 90.29(9) . . ?
F5 Sb1 F8 89.8(3) . . ?
F5 Sb1 F7 92.5(4) . . ?
F8 Sb1 F7 88.3(3) . . ?
F5 Sb1 F4 90.2(3) . . ?
F8 Sb1 F4 90.0(3) . . ?
F7 Sb1 F4 176.8(3) . . ?
F5 Sb1 F6 89.5(3) . . ?
F8 Sb1 F6 179.4(4) . . ?
F7 Sb1 F6 91.6(3) . . ?
F4 Sb1 F6 90.1(3) . . ?
F5 Sb1 F9 178.1(3) . . ?
F8 Sb1 F9 90.9(3) . . ?
F7 Sb1 F9 89.2(4) . . ?
F4 Sb1 F9 88.0(3) . . ?
F6 Sb1 F9 89.8(3) . . ?
F2 C17 C20 117.0(11) . . ?
F2 C17 C15 139.8(14) . . ?
C20 C17 C15 103.1(10) . . ?
F1 C16 C15 119.4(8) . . ?
F1 C16 C18 119.3(9) . . ?
C15 C16 C18 121.2(11) . . ?
C17 C20 C19 136.3(11) . . ?
C17 C20 C21 119.6(9) . . ?
C19 C20 C21 103.7(10) . . ?
C19 C18 C16 116.8(10) . . ?
C19 C18 F3 127.8(9) . . ?
C16 C18 F3 115.4(9) . . ?
C20 C19 C18 113.9(9) . . ?
C20 C19 C22 137.5(12) . . ?
C18 C19 C22 108.5(10) . . ?
N2 C21 C20 167.6(13) . . ?
N3 C22 C19 172.1(19) . . ?

_diffrn_measured_fraction_theta_max 0.908
_diffrn_reflns_theta_full        58.87
_diffrn_measured_fraction_theta_full 0.908
_refine_diff_density_max         1.058
_refine_diff_density_min         -0.803
_refine_diff_density_rms         0.116

#==END

#==========================================================================
data_5
_database_code_depnum_ccdc_archive 'CCDC 236843'
#==========================================================================

_audit_creation_method           shelxl-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H44 Cl F10 N2 P2 Ru Sb'
_chemical_formula_weight         1231.12
_chemical_compound_source        synthesis
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
c c 0.0033 0.0016 'international tables vol c tables 4.2.6.8 and 6.1.1.4'
h h 0.0000 0.0000 'international tables vol c tables 4.2.6.8 and 6.1.1.4'
cl cl 0.1484 0.1585 'international tables vol c tables 4.2.6.8 and 6.1.1.4'
f f 0.0171 0.0103 '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'
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'
sb sb -0.5866 1.5461 'international tables vol c tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_h-m   'P 21/a'
_symmetry_space_group_name_Hall  '-P 2yab'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, z'
_cell_length_a                   16.4727(16)
_cell_length_b                   17.1842(17)
_cell_length_c                   20.571(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.879(2)
_cell_angle_gamma                90.00
_cell_volume                     5364.9(9)
_cell_formula_units_z            4
_cell_measurement_temperature    233(2)
_cell_measurement_reflns_used    7320
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       Prismatic
_exptl_crystal_colour            Violet
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_f_000             2456
_exptl_absorpt_coefficient_mu    0.966
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_process_details   'Bruker SADABS (Sheldrick,G.M.,1997-2001)'
_exptl_absorpt_correction_t_min  0.8370
_exptl_absorpt_correction_t_max  1
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      233(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            43447
_diffrn_reflns_av_r_equivalents  0.1035
_diffrn_reflns_av_sigmai/neti    0.1507
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.07
_diffrn_reflns_theta_max         30.53
_reflns_number_total             16052
_reflns_number_gt                6769
_reflns_threshold_expression     >2sigma(i)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'DIRDIF-99 (Beurskens, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON-2003 (Spek, 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
refinement of f^2^ against all reflections.  the weighted r-factor wr and
goodness of fit s are based on f^2^, conventional r-factors r are based
on f, with f set to zero for negative f^2^. the threshold expression of
f^2^ > 2sigma(f^2^) is used only for calculating r-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  r-factors based
on f^2^ are statistically about twice as large as those based on f, and r-
factors based on all data will be even larger.
;
_refine_ls_structure_factor_coef fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(fo^2^)+(0.1065p)^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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16052
_refine_ls_number_parameters     640
_refine_ls_number_restraints     0
_refine_ls_r_factor_all          0.1988
_refine_ls_r_factor_gt           0.0728
_refine_ls_wr_factor_ref         0.2328
_refine_ls_wr_factor_gt          0.1733
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_s_all      1.014
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_u_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0597(4) 0.0410(3) 0.6911(4) 0.0353(15) uaNi 1 1 d . . .
C2 C 0.0015(5) 0.0519(4) 0.6315(4) 0.0410(17) uaNi 1 1 d . . .
C3 C -0.0661(4) 0.0617(4) 0.5674(4) 0.0380(16) uaNi 1 1 d . . .
C4 C -0.0874(5) 0.1384(4) 0.5346(4) 0.0400(16) uaNi 1 1 d . . .
C5 C -0.0625(5) 0.2044(5) 0.5770(4) 0.052(2) uaNi 1 1 d . . .
H5 H -0.0344 0.1993 0.6257 0.062 uiSo 1 1 CalC R . .
C6 C -0.0802(7) 0.2787(5) 0.5461(5) 0.069(3) uaNi 1 1 d . . .
H6 H -0.0640 0.3231 0.5740 0.082 uiSo 1 1 CalC R . .
C7 C -0.1220(6) 0.2849(5) 0.4732(5) 0.065(3) uaNi 1 1 d . . .
H7 H -0.1330 0.3339 0.4524 0.078 uiSo 1 1 CalC R . .
C8 C -0.1469(6) 0.2213(5) 0.4324(5) 0.059(2) uaNi 1 1 d . . .
H8 H -0.1752 0.2269 0.3838 0.071 uiSo 1 1 CalC R . .
C9 C -0.1310(5) 0.1474(4) 0.4615(4) 0.0451(18) uaNi 1 1 d . . .
H9 H -0.1494 0.1038 0.4326 0.054 uiSo 1 1 CalC R . .
C10 C -0.1136(5) -0.0072(4) 0.5309(4) 0.0386(16) uaNi 1 1 d . . .
C11 C -0.0690(5) -0.0773(4) 0.5358(4) 0.0444(18) uaNi 1 1 d . . .
H11 H -0.0086 -0.0799 0.5619 0.053 uiSo 1 1 CalC R . .
C12 C -0.1146(7) -0.1430(4) 0.5020(5) 0.058(2) uaNi 1 1 d . . .
H12 H -0.0841 -0.1892 0.5043 0.070 uiSo 1 1 CalC R . .
C13 C -0.2038(7) -0.1408(5) 0.4652(4) 0.061(2) uaNi 1 1 d . . .
H13 H -0.2337 -0.1856 0.4434 0.073 uiSo 1 1 CalC R . .
C14 C -0.2490(6) -0.0729(5) 0.4604(4) 0.057(2) uaNi 1 1 d . . .
H14 H -0.3098 -0.0717 0.4356 0.069 uiSo 1 1 CalC R . .
C15 C -0.2047(5) -0.0061(4) 0.4922(4) 0.049(2) uaNi 1 1 d . . .
H15 H -0.2357 0.0401 0.4879 0.059 uiSo 1 1 CalC R . .
C16 C 0.2229(5) 0.1357(4) 0.7747(4) 0.0474(19) uaNi 1 1 d . . .
C17 C 0.1698(5) 0.1489(4) 0.8124(4) 0.0413(17) uaNi 1 1 d . . .
H17 H 0.1254 0.1860 0.7964 0.050 uiSo 1 1 CalC R . .
C18 C 0.1825(5) 0.1071(4) 0.8739(4) 0.0471(19) uaNi 1 1 d . . .
C19 C 0.2472(5) 0.0485(4) 0.8970(4) 0.050(2) uaNi 1 1 d . . .
H19 H 0.2551 0.0202 0.9375 0.061 uiSo 1 1 CalC R . .
C20 C 0.2990(5) 0.0332(4) 0.8595(5) 0.055(2) uaNi 1 1 d . . .
C21 C 0.2832(5) 0.0747(4) 0.7951(5) 0.049(2) uaNi 1 1 d . . .
H21 H 0.3134 0.0608 0.7670 0.058 uiSo 1 1 CalC R . .
C22 C 0.2115(6) 0.1819(5) 0.7089(5) 0.072(3) uaNi 1 1 d . . .
H22a H 0.1683 0.2219 0.7021 0.108 uiSo 1 1 CalC R . .
H22b H 0.1922 0.1479 0.6688 0.108 uiSo 1 1 CalC R . .
H22C H 0.2667 0.2052 0.7143 0.108 uiSo 1 1 CalC R . .
C23 C 0.1314(7) 0.1294(5) 0.9184(5) 0.065(2) uaNi 1 1 d . . .
H23a H 0.1472 0.0953 0.9584 0.097 uiSo 1 1 CalC R . .
H23b H 0.0694 0.1249 0.8906 0.097 uiSo 1 1 CalC R . .
H23C H 0.1450 0.1821 0.9343 0.097 uiSo 1 1 CalC R . .
C24 C 0.3695(5) -0.0315(5) 0.8845(6) 0.076(3) uaNi 1 1 d . . .
H24a H 0.3997 -0.0344 0.8530 0.114 uiSo 1 1 CalC R . .
H24b H 0.3417 -0.0805 0.8848 0.114 uiSo 1 1 CalC R . .
H24C H 0.4111 -0.0197 0.9312 0.114 uiSo 1 1 CalC R . .
C25 C 0.0964(5) -0.0912(4) 0.8932(4) 0.0405(17) uaNi 1 1 d . . .
C26 C 0.0697(6) -0.0797(5) 0.9490(4) 0.055(2) uaNi 1 1 d . . .
H26 H 0.0212 -0.0482 0.9424 0.066 uiSo 1 1 CalC R . .
C27 C 0.1144(7) -0.1147(6) 1.0145(4) 0.071(3) uaNi 1 1 d . . .
H27 H 0.0956 -0.1072 1.0512 0.086 uiSo 1 1 CalC R . .
C28 C 0.1864(7) -0.1603(6) 1.0240(5) 0.075(3) uaNi 1 1 d . . .
H28 H 0.2164 -0.1837 1.0675 0.090 uiSo 1 1 CalC R . .
C29 C 0.2148(6) -0.1718(5) 0.9706(5) 0.063(2) uaNi 1 1 d . . .
H29 H 0.2644 -0.2022 0.9781 0.076 uiSo 1 1 CalC R . .
C30 C 0.1694(5) -0.1381(4) 0.9048(4) 0.0446(18) uaNi 1 1 d . . .
H30 H 0.1881 -0.1470 0.8682 0.053 uiSo 1 1 CalC R . .
C31 C -0.0483(4) 0.0126(4) 0.8053(4) 0.0340(15) uaNi 1 1 d . . .
C32 C -0.1119(5) -0.0187(4) 0.8284(4) 0.0404(16) uaNi 1 1 d . . .
H32 H -0.1042 -0.0682 0.8482 0.048 uiSo 1 1 CalC R . .
C33 C -0.1856(5) 0.0248(5) 0.8212(4) 0.052(2) uaNi 1 1 d . . .
H33 H -0.2281 0.0037 0.8355 0.062 uiSo 1 1 CalC R . .
C34 C -0.1969(5) 0.0974(5) 0.7938(5) 0.060(2) uaNi 1 1 d . . .
H34 H -0.2463 0.1261 0.7903 0.071 uiSo 1 1 CalC R . .
C35 C -0.1344(5) 0.1297(4) 0.7707(5) 0.054(2) uaNi 1 1 d . . .
H35 H -0.1428 0.1793 0.7511 0.064 uiSo 1 1 CalC R . .
C36 C -0.0612(5) 0.0877(4) 0.7770(4) 0.0440(17) uaNi 1 1 d . . .
H36 H -0.0194 0.1093 0.7623 0.053 uiSo 1 1 CalC R . .
C37 C 0.0006(4) -0.1250(3) 0.7445(3) 0.0315(14) uaNi 1 1 d . . .
H37a H -0.0227 -0.1021 0.6978 0.038 uiSo 1 1 CalC R . .
H37b H 0.0500 -0.1573 0.7472 0.038 uiSo 1 1 CalC R . .
C38 C -0.1875(4) -0.1400(4) 0.7123(3) 0.0303(14) uaNi 1 1 d . . .
C39 C -0.2039(4) -0.0829(4) 0.6611(4) 0.0367(15) uaNi 1 1 d . . .
H39 H -0.1619 -0.0727 0.6424 0.044 uiSo 1 1 CalC R . .
C40 C -0.2818(5) -0.0408(5) 0.6374(4) 0.051(2) uaNi 1 1 d . . .
H40 H -0.2916 -0.0025 0.6032 0.061 uiSo 1 1 CalC R . .
C41 C -0.3433(5) -0.0555(5) 0.6640(4) 0.0468(19) uaNi 1 1 d . . .
H41 H -0.3948 -0.0261 0.6490 0.056 uiSo 1 1 CalC R . .
C42 C -0.3305(5) -0.1135(5) 0.7130(4) 0.051(2) uaNi 1 1 d . . .
H42 H -0.3741 -0.1246 0.7299 0.061 uiSo 1 1 CalC R . .
C43 C -0.2518(5) -0.1557(5) 0.7376(4) 0.0468(18) uaNi 1 1 d . . .
H43 H -0.2428 -0.1945 0.7712 0.056 uiSo 1 1 CalC R . .
C44 C -0.0870(4) -0.2707(4) 0.6920(3) 0.0327(14) uaNi 1 1 d . . .
C45 C -0.0491(5) -0.2701(4) 0.6435(4) 0.0448(18) uaNi 1 1 d . . .
H45 H -0.0216 -0.2251 0.6374 0.054 uiSo 1 1 CalC R . .
C46 C -0.0508(5) -0.3352(4) 0.6034(4) 0.052(2) uaNi 1 1 d . . .
H46 H -0.0240 -0.3341 0.5711 0.062 uiSo 1 1 CalC R . .
C47 C -0.0925(5) -0.4016(4) 0.6117(4) 0.049(2) uaNi 1 1 d . . .
H47 H -0.0953 -0.4454 0.5843 0.059 uiSo 1 1 CalC R . .
C48 C -0.1294(5) -0.4025(4) 0.6602(4) 0.048(2) uaNi 1 1 d . . .
H48 H -0.1564 -0.4478 0.6666 0.058 uiSo 1 1 CalC R . .
C49 C -0.1276(5) -0.3374(4) 0.7005(4) 0.0467(18) uaNi 1 1 d . . .
H49 H -0.1538 -0.3389 0.7332 0.056 uiSo 1 1 CalC R . .
C50 C -0.0169(5) -0.2647(4) 0.8738(4) 0.0428(18) uaNi 1 1 d . . .
C51 C -0.0288(8) -0.2803(6) 0.9349(5) 0.070(3) uaNi 1 1 d . . .
C52 C 0.0256(11) -0.3298(8) 0.9852(6) 0.101(4) uaNi 1 1 d . . .
C53 C 0.1089(8) -0.3497(6) 0.9228(6) 0.087(4) uaNi 1 1 d . . .
C54 C 0.0556(6) -0.3027(4) 0.8689(4) 0.055(2) uaNi 1 1 d . . .
Cl1 Cl 0.18716(11) -0.09293(10) 0.73557(10) 0.0428(4) uaNi 1 1 d . . .
F1 F 0.0778(3) -0.2890(3) 0.8140(3) 0.0632(13) uaNi 1 1 d . . .
F2 F 0.1780(5) -0.3841(4) 0.9163(4) 0.126(3) uaNi 1 1 d . . .
F3 F 0.0125(7) -0.3441(6) 1.0433(4) 0.181(4) uaNi 1 1 d . . .
F4 F -0.0961(5) -0.2476(4) 0.9464(3) 0.103(2) uaNi 1 1 d . . .
F5 F 0.6232(5) 0.1601(5) 0.8340(4) 0.143(3) uaNi 1 1 d . . .
F6 F 0.5713(11) 0.0315(6) 0.7725(6) 0.243(7) uaNi 1 1 d . . .
F7 F 0.4714(6) 0.1098(12) 0.8188(5) 0.317(11) uaNi 1 1 d . . .
F8 F 0.4193(6) 0.0992(5) 0.6885(4) 0.145(3) uaNi 1 1 d . . .
F9 F 0.4895(7) 0.2275(5) 0.7393(6) 0.185(5) uaNi 1 1 d . . .
F10 F 0.5735(7) 0.1495(11) 0.7001(6) 0.268(8) uaNi 1 1 d . . .
N1 N -0.0741(4) -0.2144(3) 0.8251(3) 0.0402(14) uaNi 1 1 d . . .
N2 N 0.0947(9) -0.3643(6) 0.9794(6) 0.108(4) uaNi 1 1 d . . .
P1 P 0.04578(11) -0.04457(9) 0.80750(9) 0.0292(4) uaNi 1 1 d . . .
P2 P -0.08366(11) -0.18989(9) 0.74949(9) 0.0298(4) uaNi 1 1 d . . .
Ru1 Ru 0.15060(3) 0.02396(3) 0.78095(3) 0.03015(14) uaNi 1 1 d . . .
Sb1 Sb 0.52159(4) 0.12685(3) 0.76066(3) 0.05409(19) uaNi 1 1 d . . .
Ct01 C 0.2341 0.0914 0.8354 0.010 uiSo 0.00 1 d P . .
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
C1 0.037(3) 0.030(3) 0.043(4) 0.006(3) 0.021(3) 0.002(3)
C2 0.042(4) 0.041(4) 0.041(4) 0.011(3) 0.016(3) 0.005(3)
C3 0.036(3) 0.051(4) 0.032(4) 0.009(3) 0.018(3) 0.003(3)
C4 0.041(4) 0.047(4) 0.036(4) 0.008(3) 0.019(3) 0.007(3)
C5 0.059(5) 0.059(5) 0.040(5) 0.010(4) 0.022(4) 0.011(4)
C6 0.088(7) 0.054(5) 0.065(7) -0.002(5) 0.032(6) 0.014(5)
C7 0.082(7) 0.053(5) 0.069(7) 0.029(5) 0.040(6) 0.020(5)
C8 0.063(5) 0.064(5) 0.049(5) 0.032(4) 0.021(4) 0.012(4)
C9 0.046(4) 0.056(4) 0.033(4) 0.013(3) 0.016(3) 0.000(3)
C10 0.039(4) 0.049(4) 0.027(4) 0.009(3) 0.011(3) 0.005(3)
C11 0.053(4) 0.049(4) 0.034(4) 0.007(3) 0.020(4) 0.005(3)
C12 0.091(7) 0.037(4) 0.055(6) 0.006(4) 0.039(5) 0.008(4)
C13 0.082(7) 0.060(5) 0.042(5) -0.001(4) 0.026(5) -0.020(5)
C14 0.061(5) 0.062(5) 0.042(5) 0.004(4) 0.013(4) -0.020(4)
C15 0.052(4) 0.044(4) 0.047(5) 0.010(3) 0.014(4) 0.000(3)
C16 0.044(4) 0.039(4) 0.052(5) 0.000(3) 0.012(4) -0.015(3)
C17 0.043(4) 0.031(3) 0.046(5) -0.007(3) 0.013(4) -0.006(3)
C18 0.054(4) 0.044(4) 0.038(5) -0.020(3) 0.011(4) -0.012(3)
C19 0.047(4) 0.050(4) 0.041(5) -0.006(4) 0.003(4) -0.015(4)
C20 0.038(4) 0.050(5) 0.063(6) -0.012(4) 0.003(4) -0.012(3)
C21 0.038(4) 0.051(4) 0.062(6) -0.009(4) 0.025(4) -0.014(3)
C22 0.072(6) 0.063(5) 0.092(8) 0.021(5) 0.043(6) -0.020(5)
C23 0.080(6) 0.059(5) 0.053(6) -0.018(4) 0.024(5) -0.008(5)
C24 0.038(4) 0.072(6) 0.093(8) 0.000(5) -0.001(5) 0.012(4)
C25 0.041(4) 0.043(4) 0.034(4) -0.011(3) 0.011(3) -0.007(3)
C26 0.076(6) 0.062(5) 0.023(4) -0.005(4) 0.016(4) -0.006(4)
C27 0.097(8) 0.089(7) 0.023(4) 0.005(4) 0.018(5) 0.008(6)
C28 0.090(7) 0.093(7) 0.026(5) 0.015(5) 0.005(5) 0.012(6)
C29 0.055(5) 0.064(5) 0.049(6) 0.013(4) -0.003(4) 0.008(4)
C30 0.046(4) 0.052(4) 0.035(4) 0.003(3) 0.015(3) 0.006(3)
C31 0.030(3) 0.038(4) 0.036(4) -0.007(3) 0.015(3) 0.001(3)
C32 0.042(4) 0.049(4) 0.037(4) -0.014(3) 0.022(3) -0.009(3)
C33 0.045(4) 0.062(5) 0.055(5) -0.025(4) 0.027(4) -0.006(4)
C34 0.044(4) 0.067(5) 0.072(6) -0.010(5) 0.027(4) 0.013(4)
C35 0.046(4) 0.043(4) 0.071(6) -0.004(4) 0.022(4) 0.008(3)
C36 0.037(4) 0.055(4) 0.038(4) -0.001(3) 0.011(3) 0.007(3)
C37 0.033(3) 0.034(3) 0.028(4) -0.004(3) 0.012(3) -0.004(3)
C38 0.034(3) 0.037(3) 0.023(3) -0.004(3) 0.014(3) -0.002(3)
C39 0.030(3) 0.050(4) 0.032(4) -0.002(3) 0.015(3) 0.003(3)
C40 0.049(4) 0.056(5) 0.043(5) -0.001(4) 0.015(4) 0.015(4)
C41 0.040(4) 0.064(5) 0.037(4) -0.014(4) 0.016(3) 0.003(3)
C42 0.037(4) 0.066(5) 0.056(6) -0.015(4) 0.023(4) -0.008(4)
C43 0.039(4) 0.064(5) 0.042(5) 0.002(4) 0.020(4) -0.003(3)
C44 0.032(3) 0.039(3) 0.025(4) 0.003(3) 0.009(3) -0.003(3)
C45 0.061(5) 0.041(4) 0.042(5) -0.007(3) 0.031(4) -0.011(3)
C46 0.062(5) 0.051(4) 0.050(5) -0.014(4) 0.031(4) -0.008(4)
C47 0.048(4) 0.046(4) 0.049(5) -0.020(4) 0.015(4) 0.000(3)
C48 0.057(5) 0.033(4) 0.054(5) -0.005(3) 0.020(4) -0.012(3)
C49 0.059(5) 0.041(4) 0.046(5) -0.006(3) 0.027(4) -0.009(3)
C50 0.059(5) 0.040(4) 0.021(4) 0.005(3) 0.005(3) -0.005(3)
C51 0.101(8) 0.072(6) 0.032(5) 0.015(4) 0.019(5) -0.013(6)
C52 0.141(12) 0.113(10) 0.041(6) 0.036(7) 0.025(8) -0.011(9)
C53 0.103(9) 0.064(6) 0.061(7) 0.020(5) -0.004(6) 0.008(6)
C54 0.075(6) 0.046(4) 0.029(4) 0.010(3) 0.005(4) -0.001(4)
Cl1 0.0403(9) 0.0418(9) 0.0505(12) -0.0096(8) 0.0221(8) 0.0013(7)
F1 0.061(3) 0.075(3) 0.048(3) 0.005(2) 0.015(2) 0.018(2)
F2 0.101(5) 0.108(5) 0.112(6) 0.020(4) -0.019(4) 0.052(4)
F3 0.251(11) 0.225(9) 0.062(5) 0.087(6) 0.057(6) 0.000(8)
F4 0.128(6) 0.150(6) 0.049(4) 0.019(4) 0.054(4) -0.001(5)
F5 0.100(5) 0.168(7) 0.116(6) 0.006(5) -0.009(5) -0.049(5)
F6 0.352(19) 0.144(8) 0.188(11) 0.005(7) 0.057(12) 0.111(10)
F7 0.112(7) 0.76(3) 0.088(7) -0.010(12) 0.050(6) -0.164(13)
F8 0.151(7) 0.164(7) 0.075(5) 0.009(5) -0.005(5) -0.078(6)
F9 0.210(11) 0.087(5) 0.198(10) -0.010(5) 0.013(8) 0.038(6)
F10 0.115(8) 0.54(2) 0.159(10) 0.145(13) 0.062(7) 0.037(11)
N1 0.052(4) 0.042(3) 0.032(3) 0.005(3) 0.022(3) -0.005(3)
N2 0.140(10) 0.081(7) 0.063(7) 0.044(5) -0.005(7) -0.006(6)
P1 0.0321(8) 0.0307(8) 0.0232(9) -0.0015(6) 0.0090(7) 0.0005(6)
P2 0.0369(8) 0.0300(8) 0.0241(9) 0.0005(7) 0.0138(7) -0.0023(7)
Ru1 0.0280(2) 0.0296(2) 0.0297(3) -0.0018(2) 0.0078(2) -0.0010(2)
Sb1 0.0487(3) 0.0485(3) 0.0653(4) -0.0015(3) 0.0223(3) -0.0073(2)

_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
C1 C2 1.242(9) . ?
C1 Ru1 1.896(7) . ?
C2 C3 1.366(10) . ?
C3 C10 1.456(10) . ?
C3 C4 1.461(9) . ?
C4 C5 1.393(10) . ?
C4 C9 1.400(10) . ?
C5 C6 1.406(11) . ?
C5 H5 0.9300 . ?
C6 C7 1.389(13) . ?
C6 H6 0.9300 . ?
C7 C8 1.342(12) . ?
C7 H7 0.9300 . ?
C8 C9 1.384(10) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.394(10) . ?
C10 C15 1.398(10) . ?
C11 C12 1.384(11) . ?
C11 H11 0.9300 . ?
C12 C13 1.367(13) . ?
C12 H12 0.9300 . ?
C13 C14 1.368(12) . ?
C13 H13 0.9300 . ?
C14 C15 1.382(10) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C21 1.392(11) . ?
C16 C17 1.394(11) . ?
C16 C22 1.516(11) . ?
C16 Ru1 2.289(7) . ?
C17 C18 1.398(11) . ?
C17 Ru1 2.229(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.407(11) . ?
C18 C23 1.514(12) . ?
C18 Ru1 2.279(7) . ?
C19 C20 1.380(12) . ?
C19 Ru1 2.335(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.435(12) . ?
C20 C24 1.544(11) . ?
C20 Ru1 2.353(7) . ?
C21 Ru1 2.263(7) . ?
C21 H21 0.9300 . ?
C22 H22a 0.9600 . ?
C22 H22b 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23a 0.9600 . ?
C23 H23b 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24a 0.9600 . ?
C24 H24b 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C30 1.388(10) . ?
C25 C26 1.394(10) . ?
C25 P1 1.817(8) . ?
C26 C27 1.396(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.370(14) . ?
C27 H27 0.9300 . ?
C28 C29 1.366(13) . ?
C28 H28 0.9300 . ?
C29 C30 1.394(10) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.398(10) . ?
C31 C32 1.413(9) . ?
C31 P1 1.821(6) . ?
C32 C33 1.385(10) . ?
C32 H32 0.9300 . ?
C33 C34 1.352(12) . ?
C33 H33 0.9300 . ?
C34 C35 1.407(12) . ?
C34 H34 0.9300 . ?
C35 C36 1.368(10) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 P2 1.814(6) . ?
C37 P1 1.842(6) . ?
C37 H37a 0.9700 . ?
C37 H37b 0.9700 . ?
C38 C43 1.376(9) . ?
C38 C39 1.387(9) . ?
C38 P2 1.797(7) . ?
C39 C40 1.386(9) . ?
C39 H39 0.9300 . ?
C40 C41 1.350(11) . ?
C40 H40 0.9300 . ?
C41 C42 1.375(11) . ?
C41 H41 0.9300 . ?
C42 C43 1.398(10) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 C45 1.366(10) . ?
C44 C49 1.373(9) . ?
C44 P2 1.811(7) . ?
C45 C46 1.384(10) . ?
C45 H45 0.9300 . ?
C46 C47 1.376(11) . ?
C46 H46 0.9300 . ?
C47 C48 1.356(11) . ?
C47 H47 0.9300 . ?
C48 C49 1.386(10) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C50 C51 1.372(12) . ?
C50 N1 1.379(9) . ?
C50 C54 1.399(12) . ?
C51 F4 1.343(12) . ?
C51 C52 1.369(15) . ?
C52 F3 1.318(13) . ?
C52 N2 1.330(17) . ?
C53 N2 1.299(15) . ?
C53 F2 1.334(14) . ?
C53 C54 1.377(12) . ?
C54 F1 1.336(10) . ?
Cl1 Ru1 2.3887(17) . ?
F5 Sb1 1.855(7) . ?
F6 Sb1 1.805(9) . ?
F7 Sb1 1.723(8) . ?
F8 Sb1 1.823(7) . ?
F9 Sb1 1.812(8) . ?
F10 Sb1 1.807(10) . ?
N1 P2 1.560(6) . ?
P1 Ru1 2.3237(18) . ?
Ru1 Ct01 1.8139(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
C2 C1 Ru1 178.7(6) . . ?
C1 C2 C3 176.6(8) . . ?
C2 C3 C10 118.1(6) . . ?
C2 C3 C4 121.1(7) . . ?
C10 C3 C4 120.7(6) . . ?
C5 C4 C9 119.2(7) . . ?
C5 C4 C3 119.1(7) . . ?
C9 C4 C3 121.8(7) . . ?
C4 C5 C6 119.8(8) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C7 C6 C5 119.1(8) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C8 C7 C6 121.0(8) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C9 121.1(8) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 H8 119.4 . . ?
C8 C9 C4 119.8(8) . . ?
C8 C9 H9 120.1 . . ?
C4 C9 H9 120.1 . . ?
C11 C10 C15 118.1(7) . . ?
C11 C10 C3 120.2(6) . . ?
C15 C10 C3 121.7(6) . . ?
C12 C11 C10 120.0(8) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C13 C12 C11 120.8(8) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C12 C13 C14 120.1(8) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C15 120.1(8) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C14 C15 C10 120.7(7) . . ?
C14 C15 H15 119.6 . . ?
C10 C15 H15 119.6 . . ?
C21 C16 C17 118.8(7) . . ?
C21 C16 C22 119.4(8) . . ?
C17 C16 C22 121.7(7) . . ?
C21 C16 Ru1 71.2(4) . . ?
C17 C16 Ru1 69.7(4) . . ?
C22 C16 Ru1 127.1(5) . . ?
C16 C17 C18 121.0(7) . . ?
C16 C17 Ru1 74.4(4) . . ?
C18 C17 Ru1 73.9(4) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
Ru1 C17 H17 123.7 . . ?
C17 C18 C19 119.9(8) . . ?
C17 C18 C23 119.6(7) . . ?
C19 C18 C23 120.3(8) . . ?
C17 C18 Ru1 70.0(4) . . ?
C19 C18 Ru1 74.4(4) . . ?
C23 C18 Ru1 131.7(5) . . ?
C20 C19 C18 120.0(8) . . ?
C20 C19 Ru1 73.6(5) . . ?
C18 C19 Ru1 70.1(4) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
Ru1 C19 H19 128.6 . . ?
C19 C20 C21 119.4(8) . . ?
C19 C20 C24 120.0(9) . . ?
C21 C20 C24 120.5(9) . . ?
C19 C20 Ru1 72.2(4) . . ?
C21 C20 Ru1 68.5(4) . . ?
C24 C20 Ru1 128.8(5) . . ?
C16 C21 C20 120.3(8) . . ?
C16 C21 Ru1 73.2(4) . . ?
C20 C21 Ru1 75.3(4) . . ?
C16 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
Ru1 C21 H21 123.0 . . ?
C16 C22 H22a 109.5 . . ?
C16 C22 H22b 109.5 . . ?
H22a C22 H22b 109.5 . . ?
C16 C22 H22C 109.5 . . ?
H22a C22 H22C 109.5 . . ?
H22b C22 H22C 109.5 . . ?
C18 C23 H23a 109.5 . . ?
C18 C23 H23b 109.5 . . ?
H23a C23 H23b 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23a C23 H23C 109.5 . . ?
H23b C23 H23C 109.5 . . ?
C20 C24 H24a 109.5 . . ?
C20 C24 H24b 109.5 . . ?
H24a C24 H24b 109.5 . . ?
C20 C24 H24C 109.5 . . ?
H24a C24 H24C 109.5 . . ?
H24b C24 H24C 109.5 . . ?
C30 C25 C26 118.1(7) . . ?
C30 C25 P1 117.6(6) . . ?
C26 C25 P1 124.3(6) . . ?
C25 C26 C27 121.1(9) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C28 C27 C26 119.1(9) . . ?
C28 C27 H27 120.5 . . ?
C26 C27 H27 120.5 . . ?
C29 C28 C27 121.1(8) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C28 C29 C30 119.9(8) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C25 C30 C29 120.7(8) . . ?
C25 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C36 C31 C32 118.7(6) . . ?
C36 C31 P1 119.8(5) . . ?
C32 C31 P1 121.4(5) . . ?
C33 C32 C31 119.5(7) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C34 C33 C32 121.0(8) . . ?
C34 C33 H33 119.5 . . ?
C32 C33 H33 119.5 . . ?
C33 C34 C35 120.3(7) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C36 C35 C34 119.7(8) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C35 C36 C31 120.8(7) . . ?
C35 C36 H36 119.6 . . ?
C31 C36 H36 119.6 . . ?
P2 C37 P1 122.1(4) . . ?
P2 C37 H37a 106.8 . . ?
P1 C37 H37a 106.8 . . ?
P2 C37 H37b 106.8 . . ?
P1 C37 H37b 106.8 . . ?
H37a C37 H37b 106.7 . . ?
C43 C38 C39 118.3(6) . . ?
C43 C38 P2 119.4(5) . . ?
C39 C38 P2 122.2(5) . . ?
C40 C39 C38 121.1(7) . . ?
C40 C39 H39 119.4 . . ?
C38 C39 H39 119.4 . . ?
C41 C40 C39 119.9(8) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C40 C41 C42 120.6(7) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
C41 C42 C43 119.8(7) . . ?
C41 C42 H42 120.1 . . ?
C43 C42 H42 120.1 . . ?
C38 C43 C42 120.3(7) . . ?
C38 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C45 C44 C49 118.9(6) . . ?
C45 C44 P2 124.4(5) . . ?
C49 C44 P2 116.7(5) . . ?
C44 C45 C46 121.3(7) . . ?
C44 C45 H45 119.3 . . ?
C46 C45 H45 119.3 . . ?
C47 C46 C45 119.5(8) . . ?
C47 C46 H46 120.3 . . ?
C45 C46 H46 120.3 . . ?
C48 C47 C46 119.3(7) . . ?
C48 C47 H47 120.4 . . ?
C46 C47 H47 120.4 . . ?
C47 C48 C49 121.3(7) . . ?
C47 C48 H48 119.4 . . ?
C49 C48 H48 119.4 . . ?
C44 C49 C48 119.8(7) . . ?
C44 C49 H49 120.1 . . ?
C48 C49 H49 120.1 . . ?
C51 C50 N1 119.1(8) . . ?
C51 C50 C54 113.9(8) . . ?
N1 C50 C54 127.0(7) . . ?
F4 C51 C52 118.0(10) . . ?
F4 C51 C50 120.1(8) . . ?
C52 C51 C50 121.9(12) . . ?
F3 C52 N2 116.4(13) . . ?
F3 C52 C51 120.8(15) . . ?
N2 C52 C51 122.8(11) . . ?
N2 C53 F2 117.5(10) . . ?
N2 C53 C54 123.6(13) . . ?
F2 C53 C54 118.9(12) . . ?
F1 C54 C53 119.0(10) . . ?
F1 C54 C50 120.0(6) . . ?
C53 C54 C50 120.8(10) . . ?
C50 N1 P2 131.9(6) . . ?
C53 N2 C52 116.9(10) . . ?
C25 P1 C31 109.1(3) . . ?
C25 P1 C37 105.0(3) . . ?
C31 P1 C37 106.2(3) . . ?
C25 P1 Ru1 110.4(2) . . ?
C31 P1 Ru1 115.1(2) . . ?
C37 P1 Ru1 110.4(2) . . ?
N1 P2 C38 105.3(3) . . ?
N1 P2 C44 114.2(3) . . ?
C38 P2 C44 107.8(3) . . ?
N1 P2 C37 116.1(3) . . ?
C38 P2 C37 107.8(3) . . ?
C44 P2 C37 105.3(3) . . ?
Ct01 Ru1 C1 128.71(19) . . ?
Ct01 Ru1 C17 38.52(19) . . ?
C1 Ru1 C17 95.9(3) . . ?
Ct01 Ru1 C21 38.0(2) . . ?
C1 Ru1 C21 115.0(3) . . ?
C17 Ru1 C21 64.5(3) . . ?
Ct01 Ru1 C18 37.7(2) . . ?
C1 Ru1 C18 124.0(3) . . ?
C17 Ru1 C18 36.1(3) . . ?
C21 Ru1 C18 75.8(3) . . ?
Ct01 Ru1 C16 38.1(2) . . ?
C1 Ru1 C16 92.6(3) . . ?
C17 Ru1 C16 35.9(3) . . ?
C21 Ru1 C16 35.6(3) . . ?
C18 Ru1 C16 64.3(3) . . ?
Ct01 Ru1 P1 129.24(5) . . ?
C1 Ru1 P1 86.0(2) . . ?
C17 Ru1 P1 117.0(2) . . ?
C21 Ru1 P1 158.9(2) . . ?
C18 Ru1 P1 94.0(2) . . ?
C16 Ru1 P1 152.7(2) . . ?
Ct01 Ru1 C19 37.0(2) . . ?
C1 Ru1 C19 159.2(3) . . ?
C17 Ru1 C19 64.2(3) . . ?
C21 Ru1 C19 63.8(3) . . ?
C18 Ru1 C19 35.5(3) . . ?
C16 Ru1 C19 75.1(3) . . ?
P1 Ru1 C19 97.2(2) . . ?
Ct01 Ru1 C20 36.61(19) . . ?
C1 Ru1 C20 151.0(3) . . ?
C17 Ru1 C20 75.1(3) . . ?
C21 Ru1 C20 36.2(3) . . ?
C18 Ru1 C20 62.8(3) . . ?
C16 Ru1 C20 63.8(3) . . ?
P1 Ru1 C20 122.8(2) . . ?
C19 Ru1 C20 34.2(3) . . ?
Ct01 Ru1 Cl1 122.17(5) . . ?
C1 Ru1 Cl1 88.4(2) . . ?
C17 Ru1 Cl1 153.4(2) . . ?
C21 Ru1 Cl1 89.8(2) . . ?
C18 Ru1 Cl1 147.6(2) . . ?
C16 Ru1 Cl1 117.9(2) . . ?
P1 Ru1 Cl1 89.37(6) . . ?
C19 Ru1 Cl1 112.1(2) . . ?
C20 Ru1 Cl1 88.4(2) . . ?
F7 Sb1 F6 93.8(9) . . ?
F7 Sb1 F10 177.4(9) . . ?
F6 Sb1 F10 88.7(8) . . ?
F7 Sb1 F9 99.0(8) . . ?
F6 Sb1 F9 166.7(7) . . ?
F10 Sb1 F9 78.4(7) . . ?
F7 Sb1 F8 88.8(4) . . ?
F6 Sb1 F8 95.8(6) . . ?
F10 Sb1 F8 91.7(5) . . ?
F9 Sb1 F8 87.8(4) . . ?
F7 Sb1 F5 90.7(4) . . ?
F6 Sb1 F5 87.2(5) . . ?
F10 Sb1 F5 88.6(5) . . ?
F9 Sb1 F5 89.4(4) . . ?
F8 Sb1 F5 177.0(4) . . ?
_diffrn_measured_fraction_theta_max 0.977
_diffrn_reflns_theta_full        30.53
_diffrn_measured_fraction_theta_full 0.977
_refine_diff_density_max         1.172
_refine_diff_density_min         -1.806
_refine_diff_density_rms         0.151
#==END