Photochemical Reaction of CpFe(CO)2SiMe3(Cp = η5-C5H5) with a Trihydrosilane Containing a Bulky Amino Substituent, Bis(trimethylsilyl)aminosilane
Hirotsu, Masakazu; Nishida, Takuo; Sasaki, Hiromitsu; Muraoka, Takako; Yoshimura, Takashi; Ueno, Keiji; Organometallics 26 (2007) 2495–; doi:10.1021/om070185j

data_4073237
_publ_section_title
;
 Photochemical Reaction of CpFe(CO)2SiMe3(Cp = \h5-C5H5) with a
 Trihydrosilane Containing a Bulky Amino Substituent,
 Bis(trimethylsilyl)aminosilane
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2495
_journal_paper_doi               10.1021/om070185j
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C25 H33 Fe3 N O4 Si3'
_chemical_formula_weight         663.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.697(3)
_cell_angle_beta                 91.267(3)
_cell_angle_gamma                100.896(4)
_cell_formula_units_Z            2
_cell_length_a                   10.0782(7)
_cell_length_b                   11.2516(9)
_cell_length_c                   12.1662(8)
_cell_measurement_reflns_used    9858
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      32.0307
_cell_measurement_theta_min      1.6746
_cell_volume                     1354.21(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.727
_diffrn_measured_fraction_theta_max 0.727
_diffrn_measurement_device_type  'Rigaku RAXIS-IV'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0286
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11166
_diffrn_reflns_theta_full        32.16
_diffrn_reflns_theta_max         32.16
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    1.751
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.8594
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.801
_refine_diff_density_min         -1.474
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         6928
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0486
_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^)+(0.0936P)^2^+0.8514P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1300
_refine_ls_wR_factor_ref         0.1315
_reflns_number_gt                6507
_reflns_number_total             6928
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om070185j-file002.cif
_cod_data_source_block           2
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               4073237