Insertion of pyridine into an iron‒silicon bond: structure of the product Cp*(CO)Fe{η3(C,C,C)-C5H5NSiMe2NPh2}
Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi; Chemical Communications (Cambridge, United Kingdom)  (2003) 2744–2745; doi:10.1039/b308885e

data_7104871
_publ_section_title
;
 Insertion of pyridine into an iron--silicon bond: structure of the product
 Cp*(CO)Fe{\h3(C,C,C)-C5H5NSiMe2NPh2}
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   21
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              2744
_journal_page_last               2745
_journal_paper_doi               10.1039/b308885e
_journal_year                    2003
_chemical_formula_moiety         'C30 H36 Fe N2 O Si '
_chemical_formula_sum            'C30 H36 Fe N2 O Si'
_chemical_formula_weight         524.56
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.099(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.1694(6)
_cell_length_b                   9.0939(4)
_cell_length_c                   18.5947(6)
_cell_measurement_reflns_used    21889
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.3
_cell_volume                     2743.5(2)
_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_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9965
_diffrn_measured_fraction_theta_max 0.9965
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.056
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26166
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    0.618
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.815
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.79
_refine_diff_density_min         -0.71
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.412
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4963
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.0009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.06500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1320
_reflns_number_gt                4963
_reflns_number_total             6255
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b308885e.txt
_cod_data_source_block           complex_3
_cod_original_formula_sum        'C30 H36 Fe N2 O Si '
_cod_database_code               7104871