[Cp(PMe3)2Ru(η2-HSiCl3)]+: Structure and Bonding of a Rare Cationic η2-Silane Complex
Freeman, Samuel T. N.; Lemke, Frederick R.; Brammer, Lee; Organometallics 21 (2002) 2030–; doi:10.1021/om020063l

data_4076807
_publ_section_title
;
 [Cp(PMe3)2Ru(\h2-HSiCl3)]+:&#x00A0; Structure and Bonding of a Rare
 Cationic \h2-Silane Complex
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2030
_journal_paper_doi               10.1021/om020063l
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C43 H36 B Cl3 F24 P2 Ru Si'
_chemical_formula_weight         1316.98
_chemical_name_systematic
; 
 ? 
;
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.648(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.668(5)
_cell_length_b                   26.906(10)
_cell_length_c                   14.881(6)
_cell_measurement_temperature    203(5)
_cell_volume                     5014(3)
_computing_cell_refinement       'SAINT (Bruker)'
_computing_data_collection       'SMART (Bruker)'
_computing_data_reduction        'SAINT (Bruker)'
_computing_molecular_graphics    'SHELXTL (Bruker)'
_computing_publication_material  'SHELXTL (Bruker)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2000)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2000)'
_diffrn_ambient_temperature      203(5)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            32493
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    0.683
_exptl_absorpt_correction_T_max  0.832
_exptl_absorpt_correction_T_min  0.659
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Absorption correction was based upon symmetry equivalent and
 repeated intensity measurements using the program SADABS
 (Sheldrick, 1995), which is based upon the method of
 Blessing (Blessing, 1995).
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Blocks
_exptl_crystal_F_000             2616
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.623
_refine_diff_density_min         -0.442
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.253
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     733
_refine_ls_number_reflns         8564
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      1.248
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0700P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1284
_refine_ls_wR_factor_ref         0.1382
_reflns_number_gt                6487
_reflns_number_total             8564
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om020063l.cif
_cod_data_source_block           l7101sd
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4076807