Molybdenum η2-imine complex formation and the reductive coupling of imines
Cameron, Tom M.; Ortiz, Carlos G.; Abboud, Khalil A.; Boncella, James M.; Baker, R. Tom; Scott, Brian L.; Chemical Communications  (2000) 573–; doi:10.1039/b000355g

data_7110845
_publ_contact_author
;
J.M. Boncella
James.M. Boncella
Department of Chemistry
University of Florida
Gainesville FL 32611
;
_publ_section_title
;
 Molybdenum \h2-imine complex formation and the reductive coupling of
 imines
;
_journal_issue                   7
_journal_name_full               'Chemical Communications'
_journal_page_first              573
_journal_paper_doi               10.1039/b000355g
_journal_year                    2000
_chemical_formula_sum            'C32 H40 Mo N4 Si2'
_chemical_formula_weight         632.80
_chemical_name_common
;
2B
;
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 104.6520(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8565(5)
_cell_length_b                   18.8443(8)
_cell_length_c                   17.9089(8)
_cell_measurement_temperature    203(2)
_cell_volume                     3218.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0522
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6495
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.509
_exptl_absorpt_correction_type   'empirical (SADABS)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular block '
_exptl_crystal_F_000             1320
_exptl_crystal_preparation       'crystallized from hexane'
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.348
_refine_diff_density_min         -0.404
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.225
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         6495
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.225
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0431
_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^)+(0.0242P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0831
_reflns_number_gt                5068
_reflns_number_total             6495
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b000355gsup1.cif
_cod_data_source_block           ccd76
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7110845