Reactions of M[(η5-C5Me5)Fe(CO)2] with ClSiMe2NR2 in THF, Et2O and toluene (M = Li and K; R = Me, Et, iPr and Ph)
Okazaki, Masaaki; Iwata, Masatoshi; Tobita, Hiromi; Ogino, Hiroshi; Dalton Transactions  (2003) 1114–; doi:10.1039/b300261f

data_7012695
_publ_section_title
;
 Reactions of M[(\h5-C5Me5)Fe(CO)2] with ClSiMe2NR2 in THF, Et2O and
 toluene (M = Li and K; R = Me, Et, iPr and Ph)
;
_journal_issue                   6
_journal_name_full               'Dalton Transactions'
_journal_page_first              1114
_journal_paper_doi               10.1039/b300261f
_journal_year                    2003
_chemical_formula_moiety         'C30 H39 Fe N O3 Si '
_chemical_formula_sum            'C30 H39 Fe N O3 Si'
_chemical_formula_weight         545.58
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Tue Jan 28 13:58:04 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                96.519(5)
_cell_angle_beta                 97.382(3)
_cell_angle_gamma                93.474(1)
_cell_formula_units_Z            2
_cell_length_a                   8.4866(8)
_cell_length_b                   9.4172(5)
_cell_length_c                   17.867(2)
_cell_measurement_reflns_used    7442
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.2
_cell_volume                     1402.8(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.8564
_diffrn_measured_fraction_theta_max 0.8564
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11070
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    0.611
_exptl_absorpt_correction_T_max  0.931
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.630
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5470
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.0012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.09500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1798
_reflns_number_gt                4806
_reflns_number_total             5470
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b300261f.txt
_cod_data_source_block           of_1-Ph
_cod_original_cell_volume        1402.9(2)
_cod_original_formula_sum        'C30 H39 Fe N O3 Si '
_cod_database_code               7012695