Oxidative Addition of a Si‒C(sp) Bond to Ruthenium: Synthesis and Reactivity of Ru(SiMe~3~)(C⋮ CSiMe~3~)(CO)(P^t^Bu~2~Me)~2~}
Huang, Dejian; Heyn, Richard H.; Bollinger, John C.; Caulton, Kenneth G.; Organometallics 16 (1997) 292–293; doi:10.1021/om9609776

data_5000401
_publ_section_title
;
 Oxidative Addition of a Si--C(sp) Bond to Ruthenium: Synthesis and
 Reactivity of Ru(SiMe~3~)(C&#x22EE; CSiMe~3~)(CO)(P^t^Bu~2~Me)~2~}
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              292
_journal_page_last               293
_journal_paper_doi               10.1021/om9609776
_journal_volume                  16
_journal_year                    1997
_chemical_formula_sum            'C27 H60 O P2 Ru Si2'
_chemical_formula_weight         619.94
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 108.03(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.168(2)
_cell_length_b                   18.043(4)
_cell_length_c                   17.746(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3400.5(12)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0796
_diffrn_reflns_av_sigmaI/netI    0.1269
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8495
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    0.642
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.211
_exptl_crystal_F_000             1328
_refine_diff_density_max         0.386
_refine_diff_density_min         -0.437
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       0.00005(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.956
_refine_ls_goodness_of_fit_obs   1.002
_refine_ls_matrix_type           full
_refine_ls_number_parameters     539
_refine_ls_number_reflns         4432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.956
_refine_ls_restrained_S_obs      1.002
_refine_ls_R_factor_all          0.1004
_refine_ls_R_factor_obs          0.0462
_refine_ls_shift/esd_max         -1.455
_refine_ls_shift/esd_mean        0.029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; calc
 [1.00000+0.00000exp(0.00(sin\q/\l)^2^)]/
   [\s^2^(Fo^2^)+0.0000+0.0000*P+(0.0000P)^2^+0.0000sin\q/\l]
 where P = 1.00000Fo^2^ + 0.00000Fc^2^
;
_refine_ls_wR_factor_all         0.0916
_refine_ls_wR_factor_obs         0.0737
_reflns_number_observed          2823
_reflns_number_total             4432
_reflns_observed_criterion       >2sigma(I)
_cod_database_code               5000401