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_7012696
_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         'C26 H31 Fe N O2 Si '
_chemical_formula_sum            'C26 H31 Fe N O2 Si'
_chemical_formula_weight         473.47
_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'
_audit_creation_date             'Mon Jan 27 18:04:18 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 101.665(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.6585(5)
_cell_length_b                   12.8308(5)
_cell_length_c                   15.2030(7)
_cell_measurement_reflns_used    22778
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.1
_cell_volume                     2418.25(18)
_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 0.9978
_diffrn_measured_fraction_theta_max 0.9978
_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  0.043
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21562
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.858
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.294
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5518
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.10100(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1661
_reflns_number_gt                4599
_reflns_number_total             5518
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b300261f.txt
_cod_data_source_block           of_2-Ph
_cod_original_cell_volume        2418.3(2)
_cod_original_formula_sum        'C26 H31 Fe N O2 Si '
_cod_database_code               7012696