Synthesis of Molybdenum Imido Alkylidene Complexes That Contain Siloxides
Wampler, Keith M.; Schrock, Richard R.; Hock, Adam S.; Organometallics 26 (2007) 6674–; doi:10.1021/om700864u

data_4074058
_publ_section_title
;
 Synthesis of Molybdenum Imido Alkylidene Complexes That Contain Siloxides
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              6674
_journal_paper_doi               10.1021/om700864u
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C38 H60 Mo N2 O Si'
_chemical_formula_weight         684.91
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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                81.45(3)
_cell_angle_beta                 86.62(3)
_cell_angle_gamma                87.79(3)
_cell_formula_units_Z            2
_cell_length_a                   12.038(2)
_cell_length_b                   12.567(3)
_cell_length_c                   12.897(3)
_cell_measurement_temperature    110(2)
_cell_volume                     1925.2(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            43269
_diffrn_reflns_theta_full        29.57
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.401
_exptl_absorpt_correction_T_max  0.9610
_exptl_absorpt_correction_T_min  0.9065
_exptl_absorpt_correction_type   'Semi- empirical'
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             732
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.250
_refine_diff_density_min         -0.336
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         10721
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0548P)^2^+1.2630P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1021
_reflns_number_gt                9534
_reflns_number_total             10721
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700864u-file004.cif
_cod_data_source_block           2a
_cod_original_cell_volume        1925.1(7)
_cod_database_code               4074058