Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound
Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi; Organometallics 25 (2006) 6115–; doi:10.1021/om060873n

data_4074584
_publ_section_title
;
 Insertion of Pyridine into an Iron&#x2212;Silicon Bond and Photochemical
 Conversion of the Insertion Product Cp*(OC)Fe{\h3(C,C,C)-C5H5NSiMe2NPh2}
 to a Sandwich Compound
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              6115
_journal_paper_doi               10.1021/om060873n
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C29 H36 Fe N2 Si'
_chemical_formula_sum            'C29 H36 Fe N2 Si'
_chemical_formula_weight         496.55
_chemical_name_common            'complex 5a'
_chemical_name_systematic        'complex 5a'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.529(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.1381(4)
_cell_length_b                   10.0021(4)
_cell_length_c                   16.4567(7)
_cell_measurement_reflns_used    19528
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      1.3
_cell_volume                     2611.63(17)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9990
_diffrn_measured_fraction_theta_max 0.9990
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            23665
_diffrn_reflns_theta_full        27.39
_diffrn_reflns_theta_max         27.39
_exptl_absorpt_coefficient_mu    0.642
_exptl_absorpt_correction_T_max  0.895
_exptl_absorpt_correction_T_min  0.762
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.29
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5922
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.0008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.10000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1213
_reflns_number_gt                5271
_reflns_number_total             5922
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om060873nsi20060925_041936.cif
_cod_data_source_block           1
_cod_original_cell_volume        2611.6(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4074584