# Copyright The Royal Society of Chemistry, 1999
# CCDC Number: 440/095


data_comp3



_publ_author_name
;
Maria L. Buil
Miguel A. Esteruelas
Javier Modrego
Enrique Onate
;
_publ_contact_author

;

   Enrique O\~nate Rodr\'iguez
   Departamento de Qu\'imica Inorg\'anica
   Facultad de Ciencias
   Universidad de Zaragoza
   50009-Zaragoza
   Spain
   E-mail enriqueo@posta.unizar.es
;

_audit_creation_method            SHELXL
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural
'(P^i^Pr~3~)~2~(CO)HRu(\m-H)(\m-OMe)Ir(COD)'
_chemical_formula_analytical      ?
_chemical_formula_sum             'C28 H59 Ir O2 P2 Ru'
_chemical_formula_weight          783.47
_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'
 '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'
 'Ir'  'Ir'  -1.4442   7.9887
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            'triclinic'
_symmetry_space_group_name_H-M    'P -1'

loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                    8.6580(10)
_cell_length_b                    10.0400(10)
_cell_length_c                    19.371(2)
_cell_angle_alpha                 92.860(10)
_cell_angle_beta                  93.180(10)
_cell_angle_gamma                 103.220(10)
_cell_volume                      1633.3(3)
_cell_formula_units_Z             2
_cell_measurement_temperature     150(2)
_cell_measurement_reflns_used     27
_cell_measurement_theta_min       10
_cell_measurement_theta_max       15

_exptl_crystal_description        'prism'
_exptl_crystal_colour             'yellow'
_exptl_crystal_size_max           0.47
_exptl_crystal_size_mid           0.40
_exptl_crystal_size_min           0.32
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.593
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              789
_exptl_absorpt_coefficient_mu     4.651
_exptl_absorpt_correction_type    '\y scans'
_exptl_absorpt_correction_T_min   0.125
_exptl_absorpt_correction_T_max   0.152

_exptl_special_details
;
 ?
;

_diffrn_ambient_temperature       150.0(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'normal focus Siemens Mo sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device        'Siemens P4'
_diffrn_measurement_method        '\w/2\q scans'
_diffrn_standards_number          3
_diffrn_standards_interval_count  100
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         2
_diffrn_reflns_number             6973
_diffrn_reflns_av_R_equivalents   0.0157
_diffrn_reflns_av_sigmaI/netI     0.0135
_diffrn_reflns_limit_h_min        -1
_diffrn_reflns_limit_h_max        10
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_l_min        -22
_diffrn_reflns_limit_l_max        22
_diffrn_reflns_theta_min          1.05
_diffrn_reflns_theta_max          25.00
_reflns_number_total              5734
_reflns_number_observed           5490
_reflns_observed_criterion        >2sigma(I)

_computing_data_collection        'XSCANS v. 2.1 (Siemens)'
_computing_cell_refinement        'XSCANS v. 2.1 (Siemens)'
_computing_data_reduction         'XPREP. SHELXTL v. 4.2 (Siemens)'
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics     'XP, SHELXTL v. 4.2 (Siemens)'
_computing_publication_material   'CIFTAB (Sheldrick)'

_refine_special_details
;
 Refinement on F^2^ for ALL reflections except for 16 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^)+(0.0395P)^2^+5.2330P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      heavy
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     'riding'
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        'not used'
_refine_ls_number_reflns          5718
_refine_ls_number_parameters      329
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0267
_refine_ls_R_factor_obs           0.0236
_refine_ls_wR_factor_all          0.0809
_refine_ls_wR_factor_obs          0.0604
_refine_ls_goodness_of_fit_all    1.068
_refine_ls_goodness_of_fit_obs    0.969
_refine_ls_restrained_S_all       1.268
_refine_ls_restrained_S_obs       0.969
_refine_ls_shift/esd_max          0.122
_refine_ls_shift/esd_mean         0.002
_refine_diff_density_max          0.874
_refine_diff_density_min         -1.610
_refine_diff_density_rms          0.144


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
H01 H 0.3230(74) 0.4465(64) 0.3427(32) 0.052(18) Uiso 1 d . .
H02 H 0.0589(52) 0.4222(45) 0.2130(23) 0.014(11) Uiso 1 d . .
Ir Ir 0.03258(2) 0.29172(2) 0.159990(8) 0.01660(6) Uani 1 d . .
Ru Ru 0.17973(4) 0.43154(3) 0.28770(2) 0.01518(8) Uani 1 d . .
P1 P 0.05533(13) 0.26298(11) 0.36395(6) 0.0176(2) Uani 1 d . .
P2 P 0.35589(12) 0.61086(11) 0.23494(6) 0.0176(2) Uani 1 d . .
O1 O 0.0466(5) 0.6327(3) 0.3719(2) 0.0391(9) Uani 1 d . .
O2 O 0.2329(4) 0.2791(3) 0.2181(2) 0.0221(6) Uani 1 d . .
C1 C 0.1781(5) 0.2717(5) 0.4474(2) 0.0245(9) Uani 1 d . .
H1 H 0.1180(5) 0.2014(5) 0.4769(2) 0.045(2) Uiso 1 calc R .
C2 C 0.2064(7) 0.4125(6) 0.4884(3) 0.0361(12) Uani 1 d . .
H2A H 0.1040(7) 0.4303(17) 0.5001(16) 0.045(2) Uiso 1 calc R .
H2B H 0.2605(38) 0.4846(7) 0.4600(7) 0.045(2) Uiso 1 calc R .
H2C H 0.2725(36) 0.4117(14) 0.5310(9) 0.045(2) Uiso 1 calc R .
C3 C 0.3403(6) 0.2351(6) 0.4360(3) 0.0360(12) Uani 1 d . .
H3A H 0.3224(7) 0.1491(20) 0.4072(15) 0.045(2) Uiso 1 calc R .
H3B H 0.3926(20) 0.2243(36) 0.4809(3) 0.045(2) Uiso 1 calc R .
H3C H 0.4083(17) 0.3087(18) 0.4127(17) 0.045(2) Uiso 1 calc R .
C4 C -0.1353(5) 0.2953(5) 0.3952(2) 0.0223(9) Uani 1 d . .
H4 H -0.1039(5) 0.3881(5) 0.4201(2) 0.045(2) Uiso 1 calc R .
C5 C -0.2564(6) 0.3100(6) 0.3360(3) 0.0336(11) Uani 1 d . .
H5A H -0.2010(9) 0.3665(31) 0.3011(9) 0.045(2) Uiso 1 calc R .
H5B H -0.3367(25) 0.3537(34) 0.3548(4) 0.045(2) Uiso 1 calc R .
H5C H -0.3082(31) 0.2190(6) 0.3147(12) 0.045(2) Uiso 1 calc R .
C6 C -0.2182(6) 0.2001(6) 0.4490(3) 0.0341(12) Uani 1 d . .
H6A H -0.1399(10) 0.1918(30) 0.4861(10) 0.045(2) Uiso 1 calc R .
H6B H -0.2658(37) 0.1093(12) 0.4265(5) 0.045(2) Uiso 1 calc R .
H6C H -0.3015(29) 0.2388(19) 0.4687(14) 0.045(2) Uiso 1 calc R .
C7 C 0.0210(6) 0.0768(4) 0.3335(2) 0.0278(10) Uani 1 d . .
H7 H 0.1169(6) 0.0688(4) 0.3086(2) 0.045(2) Uiso 1 calc R .
C8 C -0.1205(7) 0.0317(5) 0.2797(3) 0.0362(12) Uani 1 d . .
H8A H -0.1170(24) 0.1019(17) 0.2462(11) 0.045(2) Uiso 1 calc R .
H8B H -0.2199(7) 0.0193(35) 0.3031(4) 0.045(2) Uiso 1 calc R .
H8C H -0.1152(24) -0.0551(19) 0.2556(13) 0.045(2) Uiso 1 calc R .
C9 C 0.0075(7) -0.0280(5) 0.3904(3) 0.0409(13) Uani 1 d . .
H9A H 0.1022(21) -0.0031(21) 0.4227(11) 0.045(2) Uiso 1 calc R .
H9B H -0.0009(43) -0.1200(7) 0.3687(3) 0.045(2) Uiso 1 calc R .
H9C H -0.0873(24) -0.0272(27) 0.4156(12) 0.045(2) Uiso 1 calc R .
C10 C 0.2609(5) 0.7107(4) 0.1731(2) 0.0223(9) Uani 1 d . .
H10 H 0.2227(5) 0.6468(4) 0.1313(2) 0.045(2) Uiso 1 calc R .
C11 C 0.3721(6) 0.8379(5) 0.1465(3) 0.0313(11) Uani 1 d . .
H11A H 0.4591(24) 0.8102(7) 0.1237(17) 0.045(2) Uiso 1 calc R .
H11B H 0.4160(34) 0.9040(17) 0.1856(4) 0.045(2) Uiso 1 calc R .
H11C H 0.3118(12) 0.8804(22) 0.1133(14) 0.045(2) Uiso 1 calc R .
C12 C 0.1094(6) 0.7480(5) 0.2004(3) 0.0286(10) Uani 1 d . .
H12A H 0.0373(19) 0.6650(8) 0.2143(17) 0.045(2) Uiso 1 calc R .
H12B H 0.0558(23) 0.7879(33) 0.1636(6) 0.045(2) Uiso 1 calc R .
H12C H 0.1398(7) 0.8145(27) 0.2403(11) 0.045(2) Uiso 1 calc R .
C13 C 0.4899(5) 0.7438(5) 0.2966(2) 0.0263(10) Uani 1 d . .
H13 H 0.5689(5) 0.8018(5) 0.2683(2) 0.045(2) Uiso 1 calc R .
C14 C 0.4073(7) 0.8418(5) 0.3366(3) 0.0388(12) Uani 1 d . .
H14A H 0.3268(30) 0.7887(6) 0.3644(14) 0.045(2) Uiso 1 calc R .
H14B H 0.3561(36) 0.8919(27) 0.3036(3) 0.045(2) Uiso 1 calc R .
H14C H 0.4865(9) 0.9071(24) 0.3671(14) 0.045(2) Uiso 1 calc R .
C15 C 0.5854(7) 0.6783(6) 0.3493(3) 0.0441(14) Uani 1 d . .
H15A H 0.6336(35) 0.6120(27) 0.3248(4) 0.045(2) Uiso 1 calc R .
H15B H 0.5141(11) 0.6314(32) 0.3826(11) 0.045(2) Uiso 1 calc R .
H15C H 0.6691(28) 0.7500(7) 0.3740(13) 0.045(2) Uiso 1 calc R .
C16 C 0.5044(5) 0.5447(5) 0.1832(3) 0.0284(10) Uani 1 d . .
H16 H 0.5239(5) 0.4635(5) 0.2071(3) 0.045(2) Uiso 1 calc R .
C17 C 0.4337(7) 0.4893(5) 0.1092(3) 0.0391(13) Uani 1 d . .
H17A H 0.3240(15) 0.4367(31) 0.1115(4) 0.045(2) Uiso 1 calc R .
H17B H 0.4975(26) 0.4299(29) 0.0894(8) 0.045(2) Uiso 1 calc R .
H17C H 0.4348(39) 0.5664(6) 0.0799(6) 0.045(2) Uiso 1 calc R .
C18 C 0.6707(6) 0.6412(6) 0.1784(3) 0.0424(14) Uani 1 d . .
H18A H 0.7218(18) 0.6668(30) 0.2251(4) 0.045(2) Uiso 1 calc R .
H18B H 0.6589(7) 0.7240(18) 0.1559(17) 0.045(2) Uiso 1 calc R .
H18C H 0.7364(15) 0.5938(14) 0.1512(16) 0.045(2) Uiso 1 calc R .
C19 C 0.1021(5) 0.5564(4) 0.3388(2) 0.0225(9) Uani 1 d . .
C20 C -0.0210(6) 0.0965(5) 0.1022(2) 0.0257(10) Uani 1 d . .
H20 H 0.0239(6) 0.0399(5) 0.1299(2) 0.045(2) Uiso 1 d R .
C21 C 0.0909(6) 0.1932(5) 0.0667(2) 0.0266(10) Uani 1 d . .
H21 H 0.2000(6) 0.1940(5) 0.0710(2) 0.045(2) Uiso 1 d R .
C22 C 0.0468(7) 0.2627(5) 0.0025(3) 0.0353(12) Uani 1 d . .
H22A H 0.1346(7) 0.3377(5) 0.0006(3) 0.045(2) Uiso 1 d R .
H22B H 0.0497(7) 0.1989(5) -0.0418(3) 0.045(2) Uiso 1 d R .
C23 C -0.1017(6) 0.3208(5) 0.0117(2) 0.0328(11) Uani 1 d . .
H23A H -0.1989(6) 0.2553(5) -0.0110(2) 0.045(2) Uiso 1 d R .
H23B H -0.0957(6) 0.4013(5) -0.0100(2) 0.045(2) Uiso 1 d R .
C24 C -0.1163(6) 0.3658(5) 0.0876(2) 0.0251(10) Uani 1 d . .
H24 H -0.1087(6) 0.4613(5) 0.1015(2) 0.045(2) Uiso 1 d R .
C25 C -0.2106(5) 0.2779(5) 0.1329(2) 0.0257(10) Uani 1 d . .
H25 H -0.2639(5) 0.3248(5) 0.1716(2) 0.045(2) Uiso 1 d R .
C26 C -0.3027(6) 0.1320(5) 0.1107(3) 0.0350(12) Uani 1 d . .
H26A H -0.3501(6) 0.0891(5) 0.1608(3) 0.045(2) Uiso 1 d R .
H26B H -0.3948(6) 0.1326(5) 0.0716(3) 0.045(2) Uiso 1 d R .
C27 C -0.1958(6) 0.0441(5) 0.0771(3) 0.0350(12) Uani 1 d . .
H27A H -0.2142(6) 0.0421(5) 0.0316(3) 0.045(2) Uiso 1 d R .
H27B H -0.2263(6) -0.0484(5) 0.0916(3) 0.045(2) Uiso 1 d R .
C29 C 0.3344(6) 0.1884(5) 0.2139(3) 0.0301(10) Uani 1 d . .
H29A H 0.4090(28) 0.2044(25) 0.2550(9) 0.045(2) Uiso 1 calc R .
H29B H 0.3939(31) 0.2039(25) 0.1723(10) 0.045(2) Uiso 1 calc R .
H29C H 0.2711(7) 0.0938(5) 0.2114(19) 0.045(2) 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
Ir 0.01956(10) 0.01340(9) 0.01666(9) -0.00041(6) 0.00176(6) 0.00360(6)
Ru 0.0176(2) 0.0118(2) 0.0160(2) 0.00059(12) 0.00163(12) 0.00317(12)
P1 0.0203(5) 0.0148(5) 0.0188(5) 0.0028(4) 0.0027(4) 0.0053(4)
P2 0.0173(5) 0.0140(5) 0.0208(5) 0.0013(4) 0.0007(4) 0.0019(4)
O1 0.057(2) 0.022(2) 0.041(2) 0.000(2) 0.023(2) 0.013(2)
O2 0.025(2) 0.021(2) 0.023(2) -0.0030(12) 0.0006(12) 0.0121(13)
C1 0.029(2) 0.031(2) 0.016(2) 0.008(2) 0.002(2) 0.010(2)
C2 0.040(3) 0.045(3) 0.023(2) -0.003(2) -0.006(2) 0.013(2)
C3 0.033(3) 0.046(3) 0.035(3) 0.008(2) 0.000(2) 0.020(2)
C4 0.021(2) 0.025(2) 0.023(2) 0.004(2) 0.005(2) 0.008(2)
C5 0.026(2) 0.047(3) 0.031(3) 0.009(2) 0.003(2) 0.015(2)
C6 0.029(3) 0.042(3) 0.035(3) 0.018(2) 0.017(2) 0.012(2)
C7 0.039(3) 0.015(2) 0.031(3) 0.004(2) 0.013(2) 0.007(2)
C8 0.043(3) 0.020(2) 0.040(3) 0.002(2) 0.004(2) -0.005(2)
C9 0.058(4) 0.018(2) 0.049(3) 0.012(2) 0.008(3) 0.012(2)
C10 0.025(2) 0.018(2) 0.023(2) 0.003(2) 0.000(2) 0.004(2)
C11 0.039(3) 0.022(2) 0.033(3) 0.011(2) 0.006(2) 0.005(2)
C12 0.028(2) 0.028(2) 0.031(3) 0.008(2) -0.001(2) 0.010(2)
C13 0.023(2) 0.021(2) 0.030(2) 0.001(2) -0.004(2) -0.004(2)
C14 0.045(3) 0.032(3) 0.032(3) -0.011(2) 0.001(2) -0.003(2)
C15 0.037(3) 0.040(3) 0.047(3) 0.007(3) -0.020(3) -0.005(2)
C16 0.023(2) 0.020(2) 0.042(3) 0.002(2) 0.009(2) 0.003(2)
C17 0.041(3) 0.029(3) 0.048(3) -0.004(2) 0.021(3) 0.005(2)
C18 0.028(3) 0.037(3) 0.061(4) -0.001(3) 0.019(3) 0.002(2)
C19 0.030(2) 0.017(2) 0.020(2) 0.003(2) 0.008(2) 0.003(2)
C20 0.030(2) 0.019(2) 0.028(2) -0.001(2) -0.001(2) 0.007(2)
C21 0.030(2) 0.024(2) 0.025(2) -0.007(2) 0.002(2) 0.007(2)
C22 0.049(3) 0.035(3) 0.021(2) -0.002(2) 0.006(2) 0.008(2)
C23 0.044(3) 0.030(3) 0.023(2) 0.002(2) -0.005(2) 0.007(2)
C24 0.032(2) 0.025(2) 0.019(2) -0.001(2) -0.004(2) 0.009(2)
C25 0.022(2) 0.030(2) 0.025(2) -0.001(2) -0.001(2) 0.005(2)
C26 0.027(3) 0.030(3) 0.043(3) -0.004(2) -0.005(2) -0.001(2)
C27 0.040(3) 0.022(2) 0.037(3) -0.005(2) -0.005(2) -0.003(2)
C29 0.030(3) 0.027(2) 0.038(3) 0.001(2) 0.006(2) 0.016(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
Ir O2 2.046(3) . ?
Ir C25 2.113(4) . ?
Ir C24 2.127(4) . ?
Ir C20 2.149(4) . ?
Ir C21 2.156(4) . ?
Ir Ru 2.8635(5) . ?
Ru C19 1.827(4) . ?
Ru O2 2.134(3) . ?
Ru P2 2.3901(11) . ?
Ru P1 2.4079(11) . ?
P1 C1 1.872(4) . ?
P1 C4 1.879(4) . ?
P1 C7 1.883(5) . ?
P2 C10 1.871(4) . ?
P2 C13 1.880(5) . ?
P2 C16 1.888(5) . ?
O1 C19 1.176(6) . ?
O2 C29 1.405(5) . ?
C1 C2 1.548(7) . ?
C1 C3 1.556(6) . ?
C1 H1 1.00 . ?
C2 H2A 0.98 . ?
C2 H2B 0.98 . ?
C2 H2C 0.98 . ?
C3 H3A 0.98 . ?
C3 H3B 0.98 . ?
C3 H3C 0.98 . ?
C4 C6 1.545(6) . ?
C4 C5 1.546(6) . ?
C4 H4 1.00 . ?
C5 H5A 0.98 . ?
C5 H5B 0.98 . ?
C5 H5C 0.98 . ?
C6 H6A 0.98 . ?
C6 H6B 0.98 . ?
C6 H6C 0.98 . ?
C7 C8 1.532(7) . ?
C7 C9 1.552(7) . ?
C7 H7 1.00 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 C11 1.544(6) . ?
C10 C12 1.556(6) . ?
C10 H10 1.00 . ?
C11 H11A 0.98 . ?
C11 H11B 0.98 . ?
C11 H11C 0.98 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 C15 1.542(7) . ?
C13 C14 1.545(7) . ?
C13 H13 1.00 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C16 C18 1.551(6) . ?
C16 C17 1.552(8) . ?
C16 H16 1.00 . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C20 C21 1.436(7) . ?
C20 C27 1.527(7) . ?
C20 H20 0.93 . ?
C21 C22 1.530(7) . ?
C21 H21 0.94 . ?
C22 C23 1.543(7) . ?
C22 H22A 0.94 . ?
C22 H22B 1.05 . ?
C23 C24 1.538(6) . ?
C23 H23A 1.00 . ?
C23 H23B 0.92 . ?
C24 C25 1.429(7) . ?
C24 H24 0.97 . ?
C25 C26 1.526(7) . ?
C25 H25 1.05 . ?
C26 C27 1.563(7) . ?
C26 H26A 1.14 . ?
C26 H26B 1.07 . ?
C27 H27A 0.89 . ?
C27 H27B 0.97 . ?
C29 H29A 0.98 . ?
C29 H29B 0.98 . ?
C29 H29C 0.98 . ?

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
O2 Ir C25 159.3(2) . . ?
O2 Ir C24 159.4(2) . . ?
C25 Ir C24 39.4(2) . . ?
O2 Ir C20 100.67(15) . . ?
C25 Ir C20 81.4(2) . . ?
C24 Ir C20 90.0(2) . . ?
O2 Ir C21 95.7(2) . . ?
C25 Ir C21 98.5(2) . . ?
C24 Ir C21 81.5(2) . . ?
C20 Ir C21 39.0(2) . . ?
O2 Ir Ru 48.07(8) . . ?
C25 Ir Ru 120.60(13) . . ?
C24 Ir Ru 126.08(12) . . ?
C20 Ir Ru 143.24(13) . . ?
C21 Ir Ru 140.75(13) . . ?
O2 Ir H02 77.7(16) . . ?
C25 Ir H02 96.8(16) . . ?
C24 Ir H02 94.5(16) . . ?
C20 Ir H02 170.5(16) . . ?
C21 Ir H02 150.2(16) . . ?
Ru Ir H02 31.6(16) . . ?
C19 Ru O2 170.3(2) . . ?
C19 Ru P2 91.14(13) . . ?
O2 Ru P2 91.66(9) . . ?
C19 Ru P1 87.16(13) . . ?
O2 Ru P1 92.41(9) . . ?
P2 Ru P1 165.44(4) . . ?
C19 Ru Ir 124.99(15) . . ?
O2 Ru Ir 45.50(8) . . ?
P2 Ru Ir 95.37(3) . . ?
P1 Ru Ir 97.45(3) . . ?
C19 Ru H01 90.5(23) . . ?
O2 Ru H01 99.0(23) . . ?
P2 Ru H01 83.8(23) . . ?
P1 Ru H01 81.7(23) . . ?
Ir Ru H01 144.5(23) . . ?
C19 Ru H02 98.4(15) . . ?
O2 Ru H02 72.6(15) . . ?
P2 Ru H02 84.9(15) . . ?
P1 Ru H02 109.7(15) . . ?
Ir Ru H02 28.9(15) . . ?
H01 Ru H02 165.7(27) . . ?
C1 P1 C4 101.6(2) . . ?
C1 P1 C7 102.4(2) . . ?
C4 P1 C7 108.7(2) . . ?
C1 P1 Ru 111.7(2) . . ?
C4 P1 Ru 112.91(14) . . ?
C7 P1 Ru 117.78(15) . . ?
C10 P2 C13 105.0(2) . . ?
C10 P2 C16 104.6(2) . . ?
C13 P2 C16 101.7(2) . . ?
C10 P2 Ru 116.22(14) . . ?
C13 P2 Ru 115.5(2) . . ?
C16 P2 Ru 112.21(15) . . ?
C29 O2 Ir 132.3(3) . . ?
C29 O2 Ru 140.4(3) . . ?
Ir O2 Ru 86.43(11) . . ?
C2 C1 C3 109.8(4) . . ?
C2 C1 P1 113.0(3) . . ?
C3 C1 P1 111.8(3) . . ?
C2 C1 H1 107.3(3) . . ?
C3 C1 H1 107.3(3) . . ?
P1 C1 H1 107.32(14) . . ?
C1 C2 H2A 109.5(3) . . ?
C1 C2 H2B 109.5(3) . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5(2) . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5(3) . . ?
C1 C3 H3B 109.5(3) . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5(3) . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C6 C4 C5 110.5(4) . . ?
C6 C4 P1 117.3(3) . . ?
C5 C4 P1 113.6(3) . . ?
C6 C4 H4 104.7(3) . . ?
C5 C4 H4 104.7(3) . . ?
P1 C4 H4 104.69(14) . . ?
C4 C5 H5A 109.5(2) . . ?
C4 C5 H5B 109.5(3) . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5(3) . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5(3) . . ?
C4 C6 H6B 109.5(3) . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5(2) . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C9 109.5(4) . . ?
C8 C7 P1 112.5(3) . . ?
C9 C7 P1 116.8(3) . . ?
C8 C7 H7 105.7(3) . . ?
C9 C7 H7 105.7(3) . . ?
P1 C7 H7 105.72(15) . . ?
C7 C8 H8A 109.5(2) . . ?
C7 C8 H8B 109.5(3) . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5(3) . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5(3) . . ?
C7 C9 H9B 109.5(3) . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5(3) . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C12 110.6(4) . . ?
C11 C10 P2 116.1(3) . . ?
C12 C10 P2 112.8(3) . . ?
C11 C10 H10 105.5(3) . . ?
C12 C10 H10 105.5(2) . . ?
P2 C10 H10 105.48(14) . . ?
C10 C11 H11A 109.5(3) . . ?
C10 C11 H11B 109.5(3) . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5(3) . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5(2) . . ?
C10 C12 H12B 109.5(2) . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5(2) . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15 C13 C14 108.7(4) . . ?
C15 C13 P2 111.7(3) . . ?
C14 C13 P2 115.6(3) . . ?
C15 C13 H13 106.8(3) . . ?
C14 C13 H13 106.8(3) . . ?
P2 C13 H13 106.79(15) . . ?
C13 C14 H14A 109.5(3) . . ?
C13 C14 H14B 109.5(3) . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5(3) . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5(3) . . ?
C13 C15 H15B 109.5(3) . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5(3) . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C18 C16 C17 109.2(4) . . ?
C18 C16 P2 117.8(3) . . ?
C17 C16 P2 111.7(3) . . ?
C18 C16 H16 105.8(3) . . ?
C17 C16 H16 105.8(3) . . ?
P2 C16 H16 105.8(2) . . ?
C16 C17 H17A 109.5(3) . . ?
C16 C17 H17B 109.5(3) . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5(3) . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5(3) . . ?
C16 C18 H18B 109.5(3) . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5(3) . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O1 C19 Ru 177.3(4) . . ?
C21 C20 C27 123.7(4) . . ?
C21 C20 Ir 70.8(3) . . ?
C27 C20 Ir 114.5(3) . . ?
C21 C20 H20 114.9(3) . . ?
C27 C20 H20 116.9(3) . . ?
Ir C20 H20 104.58(13) . . ?
C20 C21 C22 124.0(4) . . ?
C20 C21 Ir 70.2(3) . . ?
C22 C21 Ir 111.3(3) . . ?
C20 C21 H21 120.3(3) . . ?
C22 C21 H21 112.2(3) . . ?
Ir C21 H21 108.02(13) . . ?
C21 C22 C23 111.8(4) . . ?
C21 C22 H22A 102.9(3) . . ?
C23 C22 H22A 107.7(3) . . ?
C21 C22 H22B 109.0(3) . . ?
C23 C22 H22B 118.8(3) . . ?
H22A C22 H22B 105.2 . . ?
C24 C23 C22 112.2(4) . . ?
C24 C23 H23A 114.7(3) . . ?
C22 C23 H23A 110.2(3) . . ?
C24 C23 H23B 102.1(3) . . ?
C22 C23 H23B 112.0(3) . . ?
H23A C23 H23B 105.2 . . ?
C25 C24 C23 122.2(4) . . ?
C25 C24 Ir 69.8(3) . . ?
C23 C24 Ir 114.1(3) . . ?
C25 C24 H24 110.8(3) . . ?
C23 C24 H24 120.8(3) . . ?
Ir C24 H24 107.01(12) . . ?
C24 C25 C26 123.3(4) . . ?
C24 C25 Ir 70.8(3) . . ?
C26 C25 Ir 113.0(3) . . ?
C24 C25 H25 117.1(3) . . ?
C26 C25 H25 113.0(3) . . ?
Ir C25 H25 111.62(13) . . ?
C25 C26 C27 112.5(4) . . ?
C25 C26 H26A 104.0(3) . . ?
C27 C26 H26A 111.6(3) . . ?
C25 C26 H26B 110.8(3) . . ?
C27 C26 H26B 105.1(3) . . ?
H26A C26 H26B 113.1 . . ?
C20 C27 C26 111.7(4) . . ?
C20 C27 H27A 114.0(3) . . ?
C26 C27 H27A 107.5(3) . . ?
C20 C27 H27B 105.7(3) . . ?
C26 C27 H27B 109.2(3) . . ?
H27A C27 H27B 108.6 . . ?
O2 C29 H29A 109.5(2) . . ?
O2 C29 H29B 109.5(2) . . ?
H29A C29 H29B 109.5 . . ?
O2 C29 H29C 109.5(2) . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?

#===END