Kinetic and Thermodynamic Studies of the Reactivity of (Trimethylsilyl)diazomethane with HMo(CO)3(C5R5) (R = H, Me). Estimation of the Mo−N2CH2SiMe3Bond Strength and Experimental Determination of the Enthalpy of Formation of (Trimethylsilyl)diazomethane
Fortman, George C.; Isrow, Derek; McDonough, James E.; Schleyer, Paul von Ragué; Schaefer, Henry F.; Scott, Brian; Kubas, Gregory J.; Kégl, Tamás; Ungváry, Ferenc; Hoff, Carl D.; Organometallics 27 (2008) 4873–; doi:10.1021/om800336p

data_4071721
_publ_section_title
;
 Kinetic and Thermodynamic Studies of the Reactivity of
 (Trimethylsilyl)diazomethane with HMo(CO)3(C5R5) (R = H, Me). Estimation
 of the Mo&#x2212;N2CH2SiMe3Bond Strength and Experimental Determination
 of the Enthalpy of Formation of (Trimethylsilyl)diazomethane
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              4873
_journal_paper_doi               10.1021/om800336p
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C11 H16 N2 O2 Si W'
_chemical_formula_weight         420.20
_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                100.632(2)
_cell_angle_beta                 96.245(2)
_cell_angle_gamma                93.510(2)
_cell_formula_units_Z            2
_cell_length_a                   6.3928(7)
_cell_length_b                   10.6551(12)
_cell_length_c                   10.8766(12)
_cell_measurement_temperature    203(2)
_cell_volume                     721.32(14)
_computing_cell_refinement       'Bruker SAINT (v. 5.00, Bruker 1998)'
_computing_data_collection       'Siemens SMART (v. 4.202, Siemens 1996)'
_computing_data_reduction        'Bruker SAINT (v. 5.00, Bruker 1998)'
_computing_molecular_graphics    'Bruker AXS SHEXTL (v. 5.10)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.915
_diffrn_measured_fraction_theta_max 0.912
_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  0.0160
_diffrn_reflns_av_sigmaI/netI    0.0194
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5327
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.33
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    8.083
_exptl_absorpt_correction_T_max  0.5641
_exptl_absorpt_correction_T_min  0.3974
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.935
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             400
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.841
_refine_diff_density_min         -2.644
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     157
_refine_ls_number_reflns         2405
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0311
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0604P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0764
_reflns_number_gt                2297
_reflns_number_total             2405
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800336p_si_002.cif
_cod_data_source_block           ch01
_cod_database_code               4071721