# 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
#===============================================================================
_audit_creation_date             12-10-2003

_publ_contact_author_name        'Dr Duncan Carmichael'
_publ_contact_author_address     
;
DCPH
Ecole Polytechnique
CNRS UMR 7653,
DCPH Ecole Polytechnique,
Palaiseau
91128
FRANCE
;

_publ_contact_author_email       DUNCAN.CARMICHAEL@POLYTECHNIQUE.FR

_publ_section_title              
;
Synthesis and first resolution of the planar
chirality of ester- functionalised phospharuthenocenes.
;

_publ_section_exptl_prep         
;
All structures were solved using SIR97 (Altomare et al.) and refined with
SHELXL97 (Sheldrick). Figures were drawn with Platon (Spek, 1990).
;

_publ_section_references         
;
Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A.
(1993) J. Appl. Cryst. 26, 343-350.

Sheldrick, G.M. SHELXL97. Program for crystal structure
refinement. University of Gottingen, Germany, 1997.

Sluis, P. v.d., Spek, A.L. (1990). Acta Cryst. A46, 194-201.

Spek, A.L. (1990). Acta Cryst. A46, C-34.
;

_publ_section_figure_captions    
; ?
;

_publ_section_acknowledgements   
; ?
;
loop_
_publ_author_name
'Duncan Carmichael'
'Jurgen Klankermayer'
'Louis Ricard'
'Nicolas Seeboth'

#=============================================================================
data_rupo2ph
_database_code_depnum_ccdc_archive 'CCDC 226405'
# compound 9a
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H41 O2 P Ru'
_chemical_formula_weight         529.64

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'
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           Orthorhombic
_symmetry_space_group_name_H-M   'P212121     '

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

_cell_length_a                   9.1310(10)
_cell_length_b                   21.5780(10)
_cell_length_c                   13.2830(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2617.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150.0(10)
_cell_measurement_reflns_used    251
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      20.0

_exptl_crystal_description       plate
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1112
_exptl_absorpt_coefficient_mu    0.680
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8538
_exptl_absorpt_correction_T_max  0.8931
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150.0(10)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_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            13862
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0482
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.78
_diffrn_reflns_theta_max         29.94
_reflns_number_total             7586
_reflns_number_gt                6650
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0521P)^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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.06(2)
_refine_ls_number_reflns         7586
_refine_ls_number_parameters     290
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0379
_refine_ls_wR_factor_ref         0.0918
_refine_ls_wR_factor_gt          0.0873
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_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
Ru1 Ru -0.10573(2) -0.053345(8) 0.416483(15) 0.02304(6) Uani 1 1 d . . .
P1 P -0.20614(7) 0.05010(3) 0.42194(5) 0.02593(13) Uani 1 1 d . . .
O1 O 0.0727(2) 0.02305(9) 0.65088(17) 0.0387(5) Uani 1 1 d . . .
O2 O 0.0324(2) 0.10077(8) 0.54110(15) 0.0287(4) Uani 1 1 d . . .
C1 C -0.3289(3) -0.01355(12) 0.4191(3) 0.0303(6) Uani 1 1 d . . .
H1 H -0.3997 -0.0188 0.3673 0.036 Uiso 1 1 calc R . .
C2 C -0.3138(3) -0.05570(13) 0.4993(2) 0.0289(5) Uani 1 1 d . . .
C3 C -0.1975(3) -0.03895(11) 0.5670(2) 0.0275(6) Uani 1 1 d . . .
C4 C -0.1273(3) 0.01711(12) 0.5340(2) 0.0253(5) Uani 1 1 d . . .
C5 C 0.0020(3) 0.04481(10) 0.5832(2) 0.0265(5) Uani 1 1 d . . .
C6 C 0.1566(3) 0.13548(11) 0.5811(2) 0.0300(5) Uani 1 1 d . . .
H6 H 0.2398 0.1065 0.5952 0.036 Uiso 1 1 calc R . .
C7 C 0.1097(4) 0.16673(13) 0.6776(2) 0.0370(6) Uani 1 1 d . . .
H7A H 0.0881 0.1347 0.7289 0.044 Uiso 1 1 calc R . .
H7B H 0.0188 0.1905 0.6652 0.044 Uiso 1 1 calc R . .
C8 C 0.2272(4) 0.21020(13) 0.7180(3) 0.0466(9) Uani 1 1 d . . .
H8 H 0.3160 0.1850 0.7342 0.056 Uiso 1 1 calc R . .
C9 C 0.2685(4) 0.25708(14) 0.6384(3) 0.0490(9) Uani 1 1 d . . .
H9A H 0.3490 0.2835 0.6640 0.059 Uiso 1 1 calc R . .
H9B H 0.1834 0.2841 0.6239 0.059 Uiso 1 1 calc R . .
C10 C 0.3172(4) 0.22516(15) 0.5414(3) 0.0482(9) Uani 1 1 d . . .
H10A H 0.4079 0.2014 0.5548 0.058 Uiso 1 1 calc R . .
H10B H 0.3400 0.2571 0.4903 0.058 Uiso 1 1 calc R . .
C11 C 0.2006(3) 0.18128(13) 0.4991(3) 0.0344(7) Uani 1 1 d . . .
H11 H 0.1122 0.2071 0.4840 0.041 Uiso 1 1 calc R . .
C12 C -0.0715(3) -0.11110(12) 0.2834(2) 0.0305(6) Uani 1 1 d . . .
C13 C -0.0479(3) -0.14744(12) 0.3720(2) 0.0293(6) Uani 1 1 d . . .
C14 C 0.0711(3) -0.12032(12) 0.4270(2) 0.0294(6) Uani 1 1 d . . .
C15 C 0.1208(3) -0.06782(12) 0.3717(2) 0.0301(6) Uani 1 1 d . . .
C16 C 0.0327(3) -0.06184(12) 0.2833(2) 0.0304(6) Uani 1 1 d . . .
C17 C -0.1799(4) -0.12439(15) 0.2018(3) 0.0421(7) Uani 1 1 d . . .
H17A H -0.2080 -0.0856 0.1687 0.063 Uiso 1 1 calc R . .
H17B H -0.2670 -0.1439 0.2310 0.063 Uiso 1 1 calc R . .
H17C H -0.1360 -0.1524 0.1523 0.063 Uiso 1 1 calc R . .
C18 C -0.1257(4) -0.20572(13) 0.3994(3) 0.0426(7) Uani 1 1 d . . .
H18A H -0.0762 -0.2411 0.3681 0.064 Uiso 1 1 calc R . .
H18B H -0.2272 -0.2037 0.3752 0.064 Uiso 1 1 calc R . .
H18C H -0.1251 -0.2107 0.4727 0.064 Uiso 1 1 calc R . .
C19 C 0.1364(4) -0.14436(15) 0.5232(2) 0.0424(8) Uani 1 1 d . . .
H19A H 0.2230 -0.1694 0.5079 0.064 Uiso 1 1 calc R . .
H19B H 0.0641 -0.1699 0.5583 0.064 Uiso 1 1 calc R . .
H19C H 0.1647 -0.1094 0.5661 0.064 Uiso 1 1 calc R . .
C20 C 0.2505(3) -0.02760(15) 0.3978(3) 0.0443(9) Uani 1 1 d . . .
H20A H 0.2606 -0.0250 0.4712 0.066 Uiso 1 1 calc R . .
H20B H 0.2357 0.0140 0.3701 0.066 Uiso 1 1 calc R . .
H20C H 0.3396 -0.0457 0.3692 0.066 Uiso 1 1 calc R . .
C21 C 0.0528(4) -0.01370(14) 0.2015(3) 0.0404(7) Uani 1 1 d . . .
H21A H 0.1336 -0.0261 0.1575 0.061 Uiso 1 1 calc R . .
H21B H 0.0752 0.0265 0.2323 0.061 Uiso 1 1 calc R . .
H21C H -0.0375 -0.0103 0.1618 0.061 Uiso 1 1 calc R . .
C22 C -0.4119(3) -0.11134(13) 0.5141(3) 0.0397(7) Uani 1 1 d . . .
H22A H -0.4912 -0.1006 0.5605 0.060 Uiso 1 1 calc R . .
H22B H -0.3545 -0.1456 0.5422 0.060 Uiso 1 1 calc R . .
H22C H -0.4535 -0.1238 0.4491 0.060 Uiso 1 1 calc R . .
C23 C -0.1629(4) -0.07328(13) 0.6618(2) 0.0367(7) Uani 1 1 d . . .
H23A H -0.2174 -0.0549 0.7179 0.055 Uiso 1 1 calc R . .
H23B H -0.0577 -0.0706 0.6757 0.055 Uiso 1 1 calc R . .
H23C H -0.1911 -0.1169 0.6542 0.055 Uiso 1 1 calc R . .
C24 C 0.2445(3) 0.14950(14) 0.4002(3) 0.0429(8) Uani 1 1 d . . .
H24 H 0.1731 0.1151 0.3882 0.052 Uiso 1 1 calc R . .
C25 C 0.2324(5) 0.1939(2) 0.3109(3) 0.0650(12) Uani 1 1 d . . .
H25A H 0.1334 0.2114 0.3083 0.097 Uiso 1 1 calc R . .
H25B H 0.2521 0.1714 0.2483 0.097 Uiso 1 1 calc R . .
H25C H 0.3039 0.2275 0.3187 0.097 Uiso 1 1 calc R . .
C26 C 0.3969(4) 0.12056(15) 0.4038(3) 0.0537(9) Uani 1 1 d . . .
H26A H 0.4705 0.1533 0.4110 0.080 Uiso 1 1 calc R . .
H26B H 0.4145 0.0975 0.3415 0.080 Uiso 1 1 calc R . .
H26C H 0.4034 0.0923 0.4614 0.080 Uiso 1 1 calc R . .
C27 C 0.1759(5) 0.24172(18) 0.8150(3) 0.0653(12) Uani 1 1 d . . .
H27A H 0.2567 0.2658 0.8439 0.098 Uiso 1 1 calc R . .
H27B H 0.1445 0.2101 0.8633 0.098 Uiso 1 1 calc R . .
H27C H 0.0937 0.2694 0.7998 0.098 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.02147(9) 0.02445(9) 0.02318(10) -0.00133(8) -0.00111(8) 0.00148(8)
P1 0.0243(3) 0.0264(3) 0.0271(3) -0.0005(3) -0.0022(3) 0.0030(2)
O1 0.0412(13) 0.0328(10) 0.0419(12) 0.0062(9) -0.0169(10) -0.0070(9)
O2 0.0276(10) 0.0270(9) 0.0316(10) 0.0025(8) -0.0047(8) -0.0054(7)
C1 0.0209(11) 0.0335(12) 0.0363(15) -0.0074(13) -0.0064(13) 0.0058(10)
C2 0.0221(11) 0.0315(12) 0.0331(14) -0.0027(12) 0.0041(10) 0.0010(12)
C3 0.0258(12) 0.0287(12) 0.0281(15) -0.0037(10) 0.0046(11) -0.0006(9)
C4 0.0251(13) 0.0264(11) 0.0245(13) -0.0035(10) 0.0013(10) 0.0007(9)
C5 0.0274(11) 0.0258(11) 0.0264(12) -0.0006(12) 0.0033(11) 0.0015(9)
C6 0.0238(11) 0.0252(11) 0.0409(15) 0.0006(13) -0.0073(13) -0.0003(9)
C7 0.0387(15) 0.0304(13) 0.0419(17) -0.0031(12) -0.0090(15) 0.0007(13)
C8 0.0486(19) 0.0294(14) 0.062(2) -0.0081(15) -0.0238(17) 0.0061(13)
C9 0.0404(18) 0.0288(14) 0.078(3) -0.0033(17) -0.0186(18) -0.0025(13)
C10 0.0355(16) 0.0337(15) 0.075(3) 0.0028(16) -0.0011(17) -0.0045(13)
C11 0.0258(14) 0.0260(13) 0.0515(19) 0.0040(12) 0.0018(13) -0.0013(11)
C12 0.0329(15) 0.0316(13) 0.0270(14) -0.0047(11) -0.0015(11) 0.0060(11)
C13 0.0362(14) 0.0232(12) 0.0285(14) -0.0038(11) 0.0026(12) 0.0029(10)
C14 0.0266(12) 0.0312(12) 0.0304(15) -0.0020(11) -0.0007(11) 0.0111(9)
C15 0.0228(13) 0.0330(13) 0.0347(15) -0.0046(11) 0.0034(11) 0.0060(10)
C16 0.0279(13) 0.0318(14) 0.0317(14) 0.0017(12) 0.0093(11) 0.0095(11)
C17 0.0453(18) 0.0468(17) 0.0343(17) -0.0069(14) -0.0085(14) 0.0059(15)
C18 0.055(2) 0.0292(13) 0.0436(19) -0.0036(12) 0.0007(16) -0.0033(13)
C19 0.0438(19) 0.0473(17) 0.0361(17) 0.0009(14) -0.0068(14) 0.0128(14)
C20 0.0258(14) 0.0440(16) 0.063(3) -0.0035(16) -0.0034(15) 0.0016(12)
C21 0.0397(16) 0.0414(16) 0.0402(18) 0.0091(14) 0.0124(14) 0.0117(13)
C22 0.0292(15) 0.0392(15) 0.0506(19) -0.0047(14) 0.0006(14) -0.0086(12)
C23 0.0462(17) 0.0325(13) 0.0314(16) 0.0027(11) 0.0057(14) -0.0047(13)
C24 0.0402(16) 0.0342(14) 0.054(2) 0.0052(15) 0.0133(16) -0.0016(12)
C25 0.082(3) 0.057(2) 0.056(2) 0.016(2) 0.022(2) 0.005(2)
C26 0.0372(16) 0.0441(16) 0.080(3) 0.0012(17) 0.017(2) 0.0007(14)
C27 0.084(3) 0.049(2) 0.062(3) -0.0198(18) -0.025(2) -0.002(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
Ru1 C14 2.171(2) . ?
Ru1 C15 2.176(3) . ?
Ru1 C13 2.180(3) . ?
Ru1 C16 2.185(3) . ?
Ru1 C12 2.187(3) . ?
Ru1 C4 2.188(3) . ?
Ru1 C3 2.192(3) . ?
Ru1 C2 2.199(3) . ?
Ru1 C1 2.212(2) . ?
Ru1 P1 2.4142(7) . ?
P1 C1 1.773(3) . ?
P1 C4 1.798(3) . ?
O1 C5 1.201(3) . ?
O2 C5 1.360(3) . ?
O2 C6 1.458(3) . ?
C1 C2 1.407(4) . ?
C2 C3 1.436(4) . ?
C2 C22 1.511(4) . ?
C3 C4 1.438(4) . ?
C3 C23 1.494(4) . ?
C4 C5 1.475(4) . ?
C6 C7 1.512(4) . ?
C6 C11 1.525(4) . ?
C7 C8 1.521(4) . ?
C8 C9 1.512(5) . ?
C8 C27 1.531(5) . ?
C9 C10 1.528(5) . ?
C10 C11 1.530(4) . ?
C11 C24 1.536(5) . ?
C12 C16 1.427(4) . ?
C12 C13 1.431(4) . ?
C12 C17 1.493(4) . ?
C13 C14 1.432(4) . ?
C13 C18 1.490(4) . ?
C14 C15 1.425(4) . ?
C14 C19 1.501(4) . ?
C15 C16 1.428(4) . ?
C15 C20 1.508(4) . ?
C16 C21 1.515(4) . ?
C24 C26 1.525(4) . ?
C24 C25 1.529(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
C14 Ru1 C15 38.26(10) . . ?
C14 Ru1 C13 38.43(10) . . ?
C15 Ru1 C13 63.97(10) . . ?
C14 Ru1 C16 64.17(10) . . ?
C15 Ru1 C16 38.23(11) . . ?
C13 Ru1 C16 63.99(10) . . ?
C14 Ru1 C12 64.19(10) . . ?
C15 Ru1 C12 63.86(10) . . ?
C13 Ru1 C12 38.26(10) . . ?
C16 Ru1 C12 38.09(10) . . ?
C14 Ru1 C4 119.03(10) . . ?
C15 Ru1 C4 112.47(10) . . ?
C13 Ru1 C4 149.62(10) . . ?
C16 Ru1 C4 133.59(10) . . ?
C12 Ru1 C4 170.49(10) . . ?
C14 Ru1 C3 108.77(11) . . ?
C15 Ru1 C3 129.44(11) . . ?
C13 Ru1 C3 118.19(10) . . ?
C16 Ru1 C3 166.88(10) . . ?
C12 Ru1 C3 150.96(10) . . ?
C4 Ru1 C3 38.32(9) . . ?
C14 Ru1 C2 126.58(11) . . ?
C15 Ru1 C2 163.06(11) . . ?
C13 Ru1 C2 108.92(11) . . ?
C16 Ru1 C2 154.94(11) . . ?
C12 Ru1 C2 121.14(10) . . ?
C4 Ru1 C2 65.12(10) . . ?
C3 Ru1 C2 38.18(10) . . ?
C14 Ru1 C1 160.47(10) . . ?
C15 Ru1 C1 159.48(11) . . ?
C13 Ru1 C1 126.15(11) . . ?
C16 Ru1 C1 125.49(12) . . ?
C12 Ru1 C1 111.58(11) . . ?
C4 Ru1 C1 68.53(10) . . ?
C3 Ru1 C1 64.91(11) . . ?
C2 Ru1 C1 37.20(11) . . ?
C14 Ru1 P1 153.63(7) . . ?
C15 Ru1 P1 120.15(7) . . ?
C13 Ru1 P1 164.08(8) . . ?
C16 Ru1 P1 108.81(7) . . ?
C12 Ru1 P1 127.33(7) . . ?
C4 Ru1 P1 45.67(7) . . ?
C3 Ru1 P1 72.27(7) . . ?
C2 Ru1 P1 71.19(7) . . ?
C1 Ru1 P1 44.81(7) . . ?
C1 P1 C4 87.83(14) . . ?
C1 P1 Ru1 61.53(8) . . ?
C4 P1 Ru1 60.51(8) . . ?
C5 O2 C6 117.8(2) . . ?
C2 C1 P1 115.1(2) . . ?
C2 C1 Ru1 70.91(14) . . ?
P1 C1 Ru1 73.66(9) . . ?
C1 C2 C3 112.5(2) . . ?
C1 C2 C22 123.7(3) . . ?
C3 C2 C22 123.8(3) . . ?
C1 C2 Ru1 71.88(15) . . ?
C3 C2 Ru1 70.66(15) . . ?
C22 C2 Ru1 126.6(2) . . ?
C2 C3 C4 110.5(2) . . ?
C2 C3 C23 123.8(2) . . ?
C4 C3 C23 125.5(2) . . ?
C2 C3 Ru1 71.16(15) . . ?
C4 C3 Ru1 70.68(15) . . ?
C23 C3 Ru1 128.19(19) . . ?
C3 C4 C5 124.2(2) . . ?
C3 C4 P1 114.1(2) . . ?
C5 C4 P1 121.6(2) . . ?
C3 C4 Ru1 70.99(15) . . ?
C5 C4 Ru1 121.60(18) . . ?
P1 C4 Ru1 73.82(10) . . ?
O1 C5 O2 123.0(2) . . ?
O1 C5 C4 127.0(2) . . ?
O2 C5 C4 110.0(2) . . ?
O2 C6 C7 108.4(2) . . ?
O2 C6 C11 106.2(2) . . ?
C7 C6 C11 113.1(2) . . ?
C6 C7 C8 111.9(3) . . ?
C9 C8 C7 110.1(3) . . ?
C9 C8 C27 111.6(3) . . ?
C7 C8 C27 110.7(3) . . ?
C8 C9 C10 111.2(3) . . ?
C9 C10 C11 112.6(3) . . ?
C6 C11 C10 108.9(3) . . ?
C6 C11 C24 113.0(2) . . ?
C10 C11 C24 114.0(3) . . ?
C16 C12 C13 108.0(3) . . ?
C16 C12 C17 125.7(3) . . ?
C13 C12 C17 126.2(3) . . ?
C16 C12 Ru1 70.88(16) . . ?
C13 C12 Ru1 70.61(15) . . ?
C17 C12 Ru1 126.9(2) . . ?
C12 C13 C14 107.9(2) . . ?
C12 C13 C18 126.3(3) . . ?
C14 C13 C18 125.6(3) . . ?
C12 C13 Ru1 71.13(15) . . ?
C14 C13 Ru1 70.45(14) . . ?
C18 C13 Ru1 127.2(2) . . ?
C15 C14 C13 107.8(2) . . ?
C15 C14 C19 125.9(3) . . ?
C13 C14 C19 126.3(3) . . ?
C15 C14 Ru1 71.08(14) . . ?
C13 C14 Ru1 71.12(14) . . ?
C19 C14 Ru1 125.3(2) . . ?
C14 C15 C16 108.4(2) . . ?
C14 C15 C20 126.2(3) . . ?
C16 C15 C20 125.3(3) . . ?
C14 C15 Ru1 70.66(15) . . ?
C16 C15 Ru1 71.20(15) . . ?
C20 C15 Ru1 126.9(2) . . ?
C12 C16 C15 107.9(2) . . ?
C12 C16 C21 126.4(3) . . ?
C15 C16 C21 125.6(3) . . ?
C12 C16 Ru1 71.02(16) . . ?
C15 C16 Ru1 70.57(16) . . ?
C21 C16 Ru1 126.50(18) . . ?
C26 C24 C25 110.2(3) . . ?
C26 C24 C11 113.3(3) . . ?
C25 C24 C11 111.4(3) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        29.94
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.293
_refine_diff_density_min         -1.029
_refine_diff_density_rms         0.082
#===============================================
data_rupbis
_database_code_depnum_ccdc_archive 'CCDC 226406'
# compound 10b
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H45 O2 P Ru'
_chemical_formula_weight         605.73

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'
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           Orthorhombic
_symmetry_space_group_name_H-M   'P212121     '

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

_cell_length_a                   10.085(5)
_cell_length_b                   11.771(5)
_cell_length_c                   26.420(5)
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_volume                     3136(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150.0(10)
_cell_measurement_reflns_used    251
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      20.0

_exptl_crystal_description       cube
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1272
_exptl_absorpt_coefficient_mu    0.577
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8934
_exptl_absorpt_correction_T_max  0.8934
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150.0(10)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_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            9007
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0631
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         3.46
_diffrn_reflns_theta_max         30.03
_reflns_number_total             9007
_reflns_number_gt                7400
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0430P)^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     SHELXL
_refine_ls_extinction_coef       0.0010(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(2)
_refine_ls_number_reflns         9007
_refine_ls_number_parameters     345
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0399
_refine_ls_wR_factor_ref         0.0911
_refine_ls_wR_factor_gt          0.0844
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.002
_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
Ru1 Ru 0.823981(19) 0.494596(16) 1.034864(7) 0.02038(7) Uani 1 1 d . . .
P1 P 0.85360(7) 0.69251(6) 1.05328(2) 0.02311(16) Uani 1 1 d . . .
O1 O 1.0035(3) 0.5344(2) 1.17353(7) 0.0594(7) Uani 1 1 d . . .
O2 O 0.8271(2) 0.64613(17) 1.16280(6) 0.0359(5) Uani 1 1 d . . .
C1 C 0.9317(3) 0.6364(2) 0.99795(9) 0.0226(6) Uani 1 1 d . . .
C2 C 1.0230(3) 0.5454(2) 1.00852(9) 0.0236(6) Uani 1 1 d . . .
C3 C 1.0275(3) 0.5183(2) 1.06139(9) 0.0256(6) Uani 1 1 d . . .
C4 C 0.9402(3) 0.5895(2) 1.09017(9) 0.0243(6) Uani 1 1 d . . .
C5 C 0.9283(3) 0.5841(2) 1.14586(10) 0.0284(6) Uani 1 1 d . . .
C6 C 0.9043(3) 0.6850(2) 0.94718(9) 0.0237(6) Uani 1 1 d . . .
C7 C 1.0056(3) 0.7045(2) 0.91273(10) 0.0314(7) Uani 1 1 d . . .
H7 H 1.0939 0.6833 0.9211 0.038 Uiso 1 1 calc R . .
C8 C 0.9796(4) 0.7545(3) 0.86638(11) 0.0422(8) Uani 1 1 d . . .
H8 H 1.0498 0.7662 0.8430 0.051 Uiso 1 1 calc R . .
C9 C 0.8529(4) 0.7874(3) 0.85403(11) 0.0448(9) Uani 1 1 d . . .
H9 H 0.8352 0.8215 0.8221 0.054 Uiso 1 1 calc R . .
C10 C 0.7517(3) 0.7704(3) 0.88835(11) 0.0389(7) Uani 1 1 d . . .
H10 H 0.6640 0.7935 0.8802 0.047 Uiso 1 1 calc R . .
C11 C 0.7774(3) 0.7201(2) 0.93421(11) 0.0309(7) Uani 1 1 d . . .
H11 H 0.7069 0.7091 0.9575 0.037 Uiso 1 1 calc R . .
C12 C 1.1051(3) 0.4857(2) 0.96951(9) 0.0316(6) Uani 1 1 d . . .
H12A H 1.1916 0.5230 0.9667 0.047 Uiso 1 1 calc R . .
H12B H 1.0597 0.4886 0.9367 0.047 Uiso 1 1 calc R . .
H12C H 1.1176 0.4062 0.9795 0.047 Uiso 1 1 calc R . .
C13 C 1.1175(3) 0.4295(3) 1.08319(10) 0.0359(7) Uani 1 1 d . . .
H13A H 1.1264 0.3666 1.0591 0.054 Uiso 1 1 calc R . .
H13B H 1.0799 0.4010 1.1150 0.054 Uiso 1 1 calc R . .
H13C H 1.2049 0.4627 1.0897 0.054 Uiso 1 1 calc R . .
C14 C 0.8180(3) 0.6666(3) 1.21742(9) 0.0335(7) Uani 1 1 d . . .
H14 H 0.9013 0.6399 1.2341 0.040 Uiso 1 1 calc R . .
C15 C 0.7022(4) 0.5993(3) 1.23751(10) 0.0371(8) Uani 1 1 d . . .
H15A H 0.7194 0.5172 1.2326 0.044 Uiso 1 1 calc R . .
H15B H 0.6214 0.6192 1.2182 0.044 Uiso 1 1 calc R . .
C16 C 0.6786(4) 0.6233(3) 1.29442(11) 0.0454(8) Uani 1 1 d . . .
H16 H 0.7570 0.5942 1.3136 0.054 Uiso 1 1 calc R . .
C17 C 0.6697(4) 0.7499(3) 1.30302(11) 0.0506(9) Uani 1 1 d . . .
H17A H 0.6628 0.7645 1.3398 0.061 Uiso 1 1 calc R . .
H17B H 0.5877 0.7788 1.2869 0.061 Uiso 1 1 calc R . .
C18 C 0.7872(4) 0.8148(3) 1.28220(11) 0.0514(9) Uani 1 1 d . . .
H18A H 0.8687 0.7908 1.3002 0.062 Uiso 1 1 calc R . .
H18B H 0.7744 0.8970 1.2883 0.062 Uiso 1 1 calc R . .
C19 C 0.8041(3) 0.7936(3) 1.22494(10) 0.0382(8) Uani 1 1 d . . .
H19 H 0.7194 0.8170 1.2083 0.046 Uiso 1 1 calc R . .
C20 C 0.5568(5) 0.5599(4) 1.31276(14) 0.0745(14) Uani 1 1 d . . .
H20A H 0.4795 0.5835 1.2929 0.112 Uiso 1 1 calc R . .
H20B H 0.5416 0.5771 1.3486 0.112 Uiso 1 1 calc R . .
H20C H 0.5707 0.4780 1.3086 0.112 Uiso 1 1 calc R . .
C21 C 0.9158(4) 0.8627(3) 1.20018(14) 0.0599(11) Uani 1 1 d . . .
H21 H 0.9226 0.8358 1.1644 0.072 Uiso 1 1 calc R . .
C22 C 1.0515(4) 0.8448(4) 1.22387(16) 0.0716(13) Uani 1 1 d . . .
H22A H 1.0514 0.8749 1.2585 0.107 Uiso 1 1 calc R . .
H22B H 1.1187 0.8846 1.2038 0.107 Uiso 1 1 calc R . .
H22C H 1.0719 0.7635 1.2247 0.107 Uiso 1 1 calc R . .
C23 C 0.8838(5) 0.9890(4) 1.19780(15) 0.0773(13) Uani 1 1 d . . .
H23A H 0.8001 1.0001 1.1796 0.116 Uiso 1 1 calc R . .
H23B H 0.9551 1.0290 1.1800 0.116 Uiso 1 1 calc R . .
H23C H 0.8755 1.0191 1.2322 0.116 Uiso 1 1 calc R . .
C24 C 0.6151(3) 0.4544(2) 1.01966(10) 0.0261(6) Uani 1 1 d . . .
C25 C 0.6950(3) 0.4069(2) 0.98087(9) 0.0265(6) Uani 1 1 d . . .
C26 C 0.7830(3) 0.3277(2) 1.00264(12) 0.0353(7) Uani 1 1 d . . .
C27 C 0.7600(3) 0.3252(2) 1.05629(11) 0.0349(7) Uani 1 1 d . . .
C28 C 0.6552(3) 0.4047(2) 1.06658(10) 0.0331(7) Uani 1 1 d . . .
C29 C 0.5026(3) 0.5354(3) 1.01296(15) 0.0513(10) Uani 1 1 d . . .
H29A H 0.5282 0.5949 0.9889 0.077 Uiso 1 1 calc R . .
H29B H 0.4807 0.5700 1.0456 0.077 Uiso 1 1 calc R . .
H29C H 0.4252 0.4945 0.9999 0.077 Uiso 1 1 calc R . .
C30 C 0.6811(4) 0.4316(3) 0.92517(10) 0.0485(9) Uani 1 1 d . . .
H30A H 0.7690 0.4328 0.9094 0.073 Uiso 1 1 calc R . .
H30B H 0.6383 0.5057 0.9206 0.073 Uiso 1 1 calc R . .
H30C H 0.6268 0.3725 0.9093 0.073 Uiso 1 1 calc R . .
C31 C 0.8826(4) 0.2573(3) 0.97459(15) 0.0617(11) Uani 1 1 d . . .
H31A H 0.8429 0.1841 0.9655 0.092 Uiso 1 1 calc R . .
H31B H 0.9603 0.2445 0.9962 0.092 Uiso 1 1 calc R . .
H31C H 0.9098 0.2973 0.9438 0.092 Uiso 1 1 calc R . .
C32 C 0.8240(5) 0.2479(3) 1.09419(16) 0.0780(15) Uani 1 1 d . . .
H32A H 0.7750 0.1761 1.0957 0.117 Uiso 1 1 calc R . .
H32B H 0.8229 0.2841 1.1276 0.117 Uiso 1 1 calc R . .
H32C H 0.9158 0.2331 1.0841 0.117 Uiso 1 1 calc R . .
C33 C 0.5933(4) 0.4242(4) 1.11792(12) 0.0667(13) Uani 1 1 d . . .
H33A H 0.5183 0.3722 1.1225 0.100 Uiso 1 1 calc R . .
H33B H 0.5619 0.5028 1.1203 0.100 Uiso 1 1 calc R . .
H33C H 0.6595 0.4103 1.1444 0.100 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.01981(11) 0.02058(9) 0.02077(10) -0.00096(9) -0.00071(8) -0.00074(10)
P1 0.0251(4) 0.0215(3) 0.0227(3) -0.0022(2) 0.0021(3) -0.0021(3)
O1 0.0764(19) 0.0754(17) 0.0264(10) 0.0078(10) 0.0010(11) 0.0409(15)
O2 0.0322(12) 0.0577(12) 0.0180(9) -0.0087(8) -0.0037(9) 0.0099(11)
C1 0.0224(15) 0.0218(12) 0.0236(12) -0.0011(10) 0.0009(11) -0.0043(11)
C2 0.0157(14) 0.0281(13) 0.0270(13) -0.0038(10) 0.0034(11) -0.0012(11)
C3 0.0226(14) 0.0293(15) 0.0248(12) -0.0030(11) -0.0035(11) -0.0015(12)
C4 0.0199(15) 0.0293(13) 0.0237(13) -0.0029(10) -0.0018(11) -0.0043(11)
C5 0.0307(17) 0.0280(14) 0.0263(14) -0.0020(11) -0.0014(13) -0.0014(13)
C6 0.0263(15) 0.0212(12) 0.0235(12) -0.0046(10) 0.0006(12) -0.0035(11)
C7 0.0305(17) 0.0318(14) 0.0318(14) 0.0008(11) 0.0060(13) -0.0046(13)
C8 0.048(2) 0.0436(18) 0.0344(16) 0.0062(13) 0.0194(16) 0.0031(17)
C9 0.060(3) 0.0451(18) 0.0288(15) 0.0105(13) 0.0058(16) 0.0101(18)
C10 0.039(2) 0.0387(16) 0.0387(16) 0.0062(14) -0.0059(15) 0.0081(14)
C11 0.0297(17) 0.0323(15) 0.0305(14) 0.0012(12) 0.0043(13) -0.0001(13)
C12 0.0271(15) 0.0402(16) 0.0274(13) -0.0044(14) 0.0005(11) 0.0056(13)
C13 0.0332(18) 0.0398(17) 0.0349(15) -0.0027(13) -0.0072(14) 0.0121(14)
C14 0.0333(18) 0.0516(17) 0.0157(12) -0.0064(11) -0.0032(12) 0.0063(16)
C15 0.048(2) 0.0416(17) 0.0216(13) 0.0033(12) -0.0013(14) 0.0070(15)
C16 0.045(2) 0.066(2) 0.0247(14) 0.0069(14) 0.0026(15) 0.0053(19)
C17 0.049(2) 0.075(2) 0.0271(15) -0.0098(15) 0.0068(16) 0.020(2)
C18 0.057(2) 0.065(2) 0.0322(16) -0.0197(15) 0.0020(16) 0.004(2)
C19 0.042(2) 0.0463(18) 0.0259(14) -0.0115(13) -0.0004(14) -0.0031(16)
C20 0.076(3) 0.104(4) 0.044(2) 0.018(2) 0.016(2) -0.012(3)
C21 0.065(3) 0.067(3) 0.048(2) -0.0199(18) 0.011(2) -0.027(2)
C22 0.053(3) 0.081(3) 0.081(3) -0.038(2) 0.013(2) -0.020(2)
C23 0.099(3) 0.059(3) 0.074(3) 0.005(2) -0.007(2) -0.027(3)
C24 0.0195(15) 0.0189(11) 0.0400(15) -0.0023(11) -0.0022(12) -0.0040(10)
C25 0.0283(16) 0.0256(12) 0.0256(13) -0.0015(10) -0.0028(12) -0.0072(12)
C26 0.0287(17) 0.0236(14) 0.0536(18) -0.0115(13) -0.0040(15) -0.0013(12)
C27 0.043(2) 0.0212(13) 0.0402(15) 0.0116(12) -0.0192(15) -0.0144(13)
C28 0.038(2) 0.0335(14) 0.0278(13) -0.0022(11) 0.0033(14) -0.0204(14)
C29 0.0252(18) 0.0338(16) 0.095(3) -0.0144(17) 0.0015(18) -0.0050(13)
C30 0.063(3) 0.055(2) 0.0275(15) -0.0022(14) -0.0128(16) -0.023(2)
C31 0.038(2) 0.0394(19) 0.108(3) -0.039(2) -0.002(2) 0.0034(16)
C32 0.093(3) 0.044(2) 0.098(3) 0.035(2) -0.054(3) -0.024(2)
C33 0.079(3) 0.077(3) 0.0444(19) -0.0171(19) 0.023(2) -0.049(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
Ru1 C27 2.170(3) . ?
Ru1 C28 2.173(3) . ?
Ru1 C4 2.181(3) . ?
Ru1 C26 2.181(3) . ?
Ru1 C3 2.187(3) . ?
Ru1 C25 2.189(3) . ?
Ru1 C24 2.196(3) . ?
Ru1 C2 2.207(3) . ?
Ru1 C1 2.218(3) . ?
Ru1 P1 2.3986(12) . ?
P1 C4 1.784(3) . ?
P1 C1 1.787(3) . ?
O1 C5 1.205(3) . ?
O2 C5 1.333(3) . ?
O2 C14 1.466(3) . ?
C1 C2 1.439(4) . ?
C1 C6 1.484(3) . ?
C2 C3 1.434(3) . ?
C2 C12 1.498(4) . ?
C3 C4 1.434(4) . ?
C3 C13 1.499(4) . ?
C4 C5 1.478(4) . ?
C6 C7 1.387(4) . ?
C6 C11 1.388(4) . ?
C7 C8 1.384(4) . ?
C8 C9 1.374(5) . ?
C9 C10 1.380(5) . ?
C10 C11 1.373(4) . ?
C14 C15 1.508(5) . ?
C14 C19 1.514(4) . ?
C15 C16 1.548(4) . ?
C16 C17 1.510(5) . ?
C16 C20 1.517(6) . ?
C17 C18 1.513(5) . ?
C18 C19 1.543(4) . ?
C19 C21 1.536(5) . ?
C21 C22 1.519(6) . ?
C21 C23 1.522(6) . ?
C24 C25 1.418(4) . ?
C24 C28 1.429(4) . ?
C24 C29 1.492(4) . ?
C25 C26 1.410(4) . ?
C25 C30 1.507(4) . ?
C26 C27 1.437(4) . ?
C26 C31 1.498(4) . ?
C27 C28 1.438(4) . ?
C27 C32 1.499(4) . ?
C28 C33 1.511(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C27 Ru1 C28 38.66(12) . . ?
C27 Ru1 C4 117.10(10) . . ?
C28 Ru1 C4 114.34(10) . . ?
C27 Ru1 C26 38.55(12) . . ?
C28 Ru1 C26 64.11(11) . . ?
C4 Ru1 C26 145.57(11) . . ?
C27 Ru1 C3 108.22(11) . . ?
C28 Ru1 C3 132.39(11) . . ?
C4 Ru1 C3 38.33(10) . . ?
C26 Ru1 C3 114.70(11) . . ?
C27 Ru1 C25 63.92(10) . . ?
C28 Ru1 C25 63.65(10) . . ?
C4 Ru1 C25 175.85(10) . . ?
C26 Ru1 C25 37.66(11) . . ?
C3 Ru1 C25 145.76(10) . . ?
C27 Ru1 C24 64.19(11) . . ?
C28 Ru1 C24 38.17(10) . . ?
C4 Ru1 C24 138.45(10) . . ?
C26 Ru1 C24 63.43(11) . . ?
C3 Ru1 C24 170.56(9) . . ?
C25 Ru1 C24 37.75(10) . . ?
C27 Ru1 C2 126.99(12) . . ?
C28 Ru1 C2 165.09(11) . . ?
C4 Ru1 C2 65.40(10) . . ?
C26 Ru1 C2 107.07(11) . . ?
C3 Ru1 C2 38.08(9) . . ?
C25 Ru1 C2 117.56(10) . . ?
C24 Ru1 C2 150.82(10) . . ?
C27 Ru1 C1 162.11(12) . . ?
C28 Ru1 C1 156.95(11) . . ?
C4 Ru1 C1 69.25(10) . . ?
C26 Ru1 C1 126.82(11) . . ?
C3 Ru1 C1 65.47(10) . . ?
C25 Ru1 C1 111.06(10) . . ?
C24 Ru1 C1 123.50(10) . . ?
C2 Ru1 C1 37.96(10) . . ?
C27 Ru1 P1 151.19(9) . . ?
C28 Ru1 P1 119.50(8) . . ?
C4 Ru1 P1 45.55(7) . . ?
C26 Ru1 P1 167.92(8) . . ?
C3 Ru1 P1 72.19(7) . . ?
C25 Ru1 P1 131.61(7) . . ?
C24 Ru1 P1 111.46(7) . . ?
C2 Ru1 P1 71.78(7) . . ?
C1 Ru1 P1 45.34(7) . . ?
C4 P1 C1 88.84(13) . . ?
C4 P1 Ru1 60.77(9) . . ?
C1 P1 Ru1 61.97(9) . . ?
C5 O2 C14 118.0(2) . . ?
C2 C1 C6 125.6(2) . . ?
C2 C1 P1 113.47(18) . . ?
C6 C1 P1 120.9(2) . . ?
C2 C1 Ru1 70.61(15) . . ?
C6 C1 Ru1 126.61(18) . . ?
P1 C1 Ru1 72.69(9) . . ?
C3 C2 C1 112.0(2) . . ?
C3 C2 C12 123.2(2) . . ?
C1 C2 C12 124.7(2) . . ?
C3 C2 Ru1 70.21(15) . . ?
C1 C2 Ru1 71.42(16) . . ?
C12 C2 Ru1 126.33(19) . . ?
C2 C3 C4 111.5(2) . . ?
C2 C3 C13 123.3(2) . . ?
C4 C3 C13 125.1(2) . . ?
C2 C3 Ru1 71.71(15) . . ?
C4 C3 Ru1 70.60(15) . . ?
C13 C3 Ru1 127.0(2) . . ?
C3 C4 C5 123.5(2) . . ?
C3 C4 P1 114.09(18) . . ?
C5 C4 P1 122.3(2) . . ?
C3 C4 Ru1 71.07(15) . . ?
C5 C4 Ru1 127.0(2) . . ?
P1 C4 Ru1 73.68(10) . . ?
O1 C5 O2 123.0(2) . . ?
O1 C5 C4 125.0(3) . . ?
O2 C5 C4 111.9(2) . . ?
C7 C6 C11 117.9(2) . . ?
C7 C6 C1 121.3(3) . . ?
C11 C6 C1 120.6(2) . . ?
C8 C7 C6 120.7(3) . . ?
C9 C8 C7 120.4(3) . . ?
C8 C9 C10 119.4(3) . . ?
C11 C10 C9 120.2(3) . . ?
C10 C11 C6 121.4(3) . . ?
O2 C14 C15 108.0(2) . . ?
O2 C14 C19 107.3(2) . . ?
C15 C14 C19 113.6(3) . . ?
C14 C15 C16 111.4(3) . . ?
C17 C16 C20 112.9(3) . . ?
C17 C16 C15 109.6(3) . . ?
C20 C16 C15 110.1(3) . . ?
C16 C17 C18 113.4(3) . . ?
C17 C18 C19 111.2(3) . . ?
C14 C19 C21 113.5(3) . . ?
C14 C19 C18 107.4(3) . . ?
C21 C19 C18 114.4(3) . . ?
C22 C21 C23 110.1(3) . . ?
C22 C21 C19 114.3(3) . . ?
C23 C21 C19 112.3(4) . . ?
C25 C24 C28 107.7(2) . . ?
C25 C24 C29 126.7(3) . . ?
C28 C24 C29 125.4(3) . . ?
C25 C24 Ru1 70.83(16) . . ?
C28 C24 Ru1 70.01(16) . . ?
C29 C24 Ru1 127.80(19) . . ?
C26 C25 C24 108.9(2) . . ?
C26 C25 C30 125.8(3) . . ?
C24 C25 C30 125.2(3) . . ?
C26 C25 Ru1 70.88(16) . . ?
C24 C25 Ru1 71.42(15) . . ?
C30 C25 Ru1 127.0(2) . . ?
C25 C26 C27 108.3(3) . . ?
C25 C26 C31 125.9(3) . . ?
C27 C26 C31 125.8(3) . . ?
C25 C26 Ru1 71.46(15) . . ?
C27 C26 Ru1 70.32(15) . . ?
C31 C26 Ru1 124.3(2) . . ?
C26 C27 C28 107.0(2) . . ?
C26 C27 C32 127.0(3) . . ?
C28 C27 C32 125.8(3) . . ?
C26 C27 Ru1 71.12(16) . . ?
C28 C27 Ru1 70.75(15) . . ?
C32 C27 Ru1 127.1(2) . . ?
C24 C28 C27 108.1(2) . . ?
C24 C28 C33 126.9(3) . . ?
C27 C28 C33 124.9(3) . . ?
C24 C28 Ru1 71.82(16) . . ?
C27 C28 Ru1 70.59(16) . . ?
C33 C28 Ru1 126.6(2) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        30.03
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.398
_refine_diff_density_min         -0.830
_refine_diff_density_rms         0.082
#===========================================