Half-Sandwich (η6-Arene)iron(II) Dinitrogen Complexes Bearing a Disilaferracycle Skeleton as a Precursor for Double Silylation of Ethylene and Alkynes
Sunada, Yusuke; Imaoka, Tsuyoshi; Nagashima, Hideo; Organometallics 29 (2010) 6157–; doi:10.1021/om100889w

data_4067194
_publ_section_title
;
 Half-Sandwich (\h6-Arene)iron(II) Dinitrogen Complexes Bearing a
 Disilaferracycle Skeleton as a Precursor for Double Silylation of
 Ethylene and Alkynes
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6157
_journal_paper_doi               10.1021/om100889w
_journal_volume                  29
_journal_year                    2010
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C16 H24 Fe Si2 '
_chemical_formula_sum            'C16 H24 Fe Si2'
_chemical_formula_weight         328.38
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.5376(8)
_cell_length_b                   12.8337(13)
_cell_length_c                   17.2964(18)
_cell_measurement_reflns_used    5592
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1673.2(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13589
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.029
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.883
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             696.00
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.80
_refine_diff_density_min         -0.42
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  1633 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.004(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     203
_refine_ls_number_reflns         3829
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0001Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0689
_reflns_number_gt                3619
_reflns_number_total             3829
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100889w_si_002.cif
_cod_data_source_block           '_(C6H6)Fe(Si)2(H)2'
_cod_original_formula_sum        'C16 H24 Fe Si2 '
_cod_database_code               4067194