Syntheses and Ligand Exchange Reaction of Iron(IV) Complexes with Two Different Group 14 Element Ligands, Cp(CO)FeH(EEt3)(E′Et3) (E, E′ = Si, Ge, Sn)
Itazaki, Masumi; Kamitani, Masahiro; Ueda, Kensuke; Nakazawa, Hiroshi; Organometallics 28 (2009) 3601–; doi:10.1021/om900225x

data_4069489
_publ_section_title
;
 Syntheses and Ligand Exchange Reaction of Iron(IV) Complexes with Two
 Different Group 14 Element Ligands, Cp(CO)FeH(EEt3)(E&#x2032;Et3) (E,
 E&#x2032; = Si, Ge, Sn)
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3601
_journal_paper_doi               10.1021/om900225x
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C17 H25 Fe Ge N O'
_chemical_formula_sum            'C17 H25 Fe Ge N O'
_chemical_formula_weight         387.82
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2007-03-23
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.560(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.330(5)
_cell_length_b                   8.090(3)
_cell_length_c                   16.220(6)
_cell_measurement_reflns_used    5903
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      4.0270
_cell_volume                     1748.5(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2001)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0793
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16143
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         4.18
_exptl_absorpt_coefficient_mu    2.547
_exptl_absorpt_correction_T_max  0.9050
_exptl_absorpt_correction_T_min  0.4445
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   Coppens_numerical
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.918
_refine_diff_density_min         -0.831
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         3975
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0826
_refine_ls_R_factor_gt           0.0670
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0740P)^2^+8.1300P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1557
_refine_ls_wR_factor_ref         0.1645
_reflns_number_gt                3350
_reflns_number_total             3975
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900225x_si_002.cif
_cod_data_source_block           UEK1139
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4069489