Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2
Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk; Journal of the American Chemical Society 128 (2006) 9472–9483; doi:10.1021/ja061508q

data_4110716
_publ_contact_author_address
;
   Department of Chemistry
   University of British Columbia
   2036 Main Mall
   Vancouver, BC  Canada V6T 1Z1
   E-mail:  fryzuk@chem.ubc.ca
;
_publ_contact_author_name        'Prof. M.D. Fryzuk'
_publ_section_title
;
 Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a
 Ditantalum Complex: Cleavage and Functionalization of N2
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9472
_journal_page_last               9483
_journal_paper_doi               10.1021/ja061508q
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C59 H80 N6 P2 Si5 Ta2'
_chemical_formula_weight         1437.58
_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                111.592(9)
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_cell_length_c                   22.111(4)
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_cell_measurement_temperature    173(2)
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_cell_measurement_theta_min      2.2
_cell_volume                     3149.8(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 11.76
_diffrn_measured_fraction_theta_full 0.846
_diffrn_measured_fraction_theta_max 0.846
_diffrn_measurement_device_type  'Rigaku/ADSC CCD'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
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_exptl_absorpt_coefficient_mu    3.658
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_description       needle
_exptl_crystal_F_000             1444
_exptl_crystal_size_max          0.30
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_exptl_crystal_size_min          0.05
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1174
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_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0589P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja061508qsi20060512_041328_1.cif
_cod_data_source_block           compound8
_cod_original_cell_volume        3149.8(9)
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