Cp*(PiPr3)RuOTf: A Reagent for Access to Ruthenium Silylene Complexes
Fasulo, Meg E.; Glaser, Paul B.; Tilley, T. Don; Organometallics 30 (2011) 5524–; doi:10.1021/om200795x

data_4065440
_publ_section_title
;
 Cp*(PiPr3)RuOTf: A Reagent for Access to Ruthenium Silylene Complexes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              5524
_journal_paper_doi               10.1021/om200795x
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C32 H46 F3 O3 P Ru S Si'
_chemical_formula_weight         727.89
_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                 94.721(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.379(5)
_cell_length_b                   15.329(6)
_cell_length_c                   16.376(7)
_cell_measurement_reflns_used    9625
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      25.443
_cell_measurement_theta_min      2.444
_cell_volume                     3347(2)
_computing_cell_refinement       'Bruker APEX2 v. 2009.1'
_computing_data_collection       'Bruker APEX2 v. 2009.1'
_computing_data_reduction        'Bruker APEX2 v. 2009.1'
_computing_molecular_graphics    ORTEP-32
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       '\w and \f 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  0.0447
_diffrn_reflns_av_sigmaI/netI    0.0215
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            68219
_diffrn_reflns_theta_full        25.44
_diffrn_reflns_theta_max         25.44
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.662
_exptl_absorpt_correction_T_max  0.9056
_exptl_absorpt_correction_T_min  0.8330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.505
_refine_diff_density_min         -0.355
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         6153
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0261
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0203P)^2^+3.0836P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0593
_refine_ls_wR_factor_ref         0.0626
_reflns_number_gt                5508
_reflns_number_total             6153
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200795x_si_001.cif
_cod_data_source_block           shelxlb
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C32 H46 F3 O3 P Ru S1 Si1'
_cod_database_code               4065440