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_4067193
_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_formula_moiety         'C35 H39 Fe P Si2 '
_chemical_formula_sum            'C35 H39 Fe P Si2'
_chemical_formula_weight         602.68
_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                90.0000
_cell_angle_beta                 100.539(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.2990(19)
_cell_length_b                   14.608(2)
_cell_length_c                   15.444(2)
_cell_measurement_reflns_used    8212
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2949.7(7)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.055
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23622
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.670
_exptl_absorpt_correction_T_max  0.961
_exptl_absorpt_correction_T_min  0.842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1272.00
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.77
_refine_diff_density_min         -0.64
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     391
_refine_ls_number_reflns         6736
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0013Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1331
_reflns_number_gt                5262
_reflns_number_total             6736
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100889w_si_002.cif
_cod_data_source_block           '_(Tol)Fe(SiC6H4Si)(PPh3)'
_cod_original_cell_volume        2949.6(7)
_cod_original_formula_sum        'C35 H39 Fe P Si2 '
_cod_database_code               4067193