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_4069491
_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         'C18 H36 Fe Ge O Sn'
_chemical_formula_sum            'C18 H36 Fe Ge O Sn'
_chemical_formula_weight         515.60
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                75.504(17)
_cell_angle_beta                 72.638(14)
_cell_angle_gamma                89.80(2)
_cell_formula_units_Z            4
_cell_length_a                   10.401(3)
_cell_length_b                   13.834(4)
_cell_length_c                   16.214(3)
_cell_measurement_reflns_used    8708
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      4.0918
_cell_volume                     2149.4(10)
_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 7.32
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20108
_diffrn_reflns_theta_full        26.75
_diffrn_reflns_theta_max         26.75
_diffrn_reflns_theta_min         4.09
_exptl_absorpt_coefficient_mu    3.209
_exptl_absorpt_correction_T_max  0.9099
_exptl_absorpt_correction_T_min  0.5010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.03
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     415
_refine_ls_number_reflns         8925
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_refine_ls_R_factor_all          0.1064
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+85.1249P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1934
_refine_ls_wR_factor_ref         0.1991
_reflns_number_gt                7944
_reflns_number_total             8925
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900225x_si_004.cif
_cod_data_source_block           KAM316
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2149.5(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4069491