An Unexpected Mechanism of Hydrosilylation by a Silyl Hydride Complex of Molybdenum
Andrey Y. Khalimon; Stanislav K. Ignatov; Razvan Simionescu; Lyudmila G. Kuzmina; Judith A. K. Howard; Georgii I Nikonov; Inorganic Chemistry 51 (2012) 754–756; doi:10.1021/ic201550a

data_4327965
_publ_section_title
;
 An Unexpected Mechanism of Hydrosilylation by a Silyl Hydride Complex of
 Molybdenum
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              754
_journal_page_last               756
_journal_paper_doi               10.1021/ic201550a
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C27 H52 Mo N P3 Si'
_chemical_formula_sum            'C27 H52 Mo N P3 Si'
_chemical_formula_weight         607.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.6070(10)
_cell_angle_beta                 99.7140(10)
_cell_angle_gamma                112.5150(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9866(2)
_cell_length_b                   10.0238(2)
_cell_length_c                   20.0398(5)
_cell_measurement_reflns_used    8643
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.146
_cell_measurement_theta_min      2.359
_cell_volume                     1638.07(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker SMART-1K'
_diffrn_measurement_method       /w
_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  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            11687
_diffrn_reflns_theta_full        27.99
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    0.599
_exptl_absorpt_correction_T_max  0.9209
_exptl_absorpt_correction_T_min  0.8045
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.232
_exptl_crystal_description       block
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.267
_refine_diff_density_min         -0.413
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         7739
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0310
_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^)+(0.0307P)^2^+1.1189P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0739
_reflns_number_gt                6805
_reflns_number_total             7739
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201550a_si_002.cif
_cod_data_source_block           p1
_cod_original_cell_volume        1638.06(6)
_cod_database_code               4327965