Reductive N−N Bond Cleavage of Diphenylhydrazine and Azobenzene Induced by Coordinatively Unsaturated Cp*Fe{N(SiMe3)2}
Ohki, Yasuhiro; Takikawa, Yuko; Hatanaka, Tsubasa; Tatsumi, Kazuyuki; Organometallics 25 (2006) 3111–; doi:10.1021/om0602963

data_4075459
_publ_section_title
;
 Reductive N&#x2212;N Bond Cleavage of Diphenylhydrazine and Azobenzene
 Induced by Coordinatively Unsaturated Cp*Fe{N(SiMe3)2}
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3111
_journal_paper_doi               10.1021/om0602963
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C26 H49 Fe2 N Si2 '
_chemical_formula_sum            'C26 H49 Fe2 N Si2'
_chemical_formula_weight         543.54
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   20.681(3)
_cell_length_b                   22.191(3)
_cell_length_c                   25.607(3)
_cell_measurement_reflns_used    6363
_cell_measurement_temperature    143.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     11752(3)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 28.57
_diffrn_measured_fraction_theta_full 0.9985
_diffrn_measured_fraction_theta_max 0.9985
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            24281
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.836
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.229
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.29
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.897
_refine_ls_number_parameters     142
_refine_ls_number_reflns         3361
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.0026
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0466
_reflns_number_gt                2617
_reflns_number_total             3377
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om0602963si20060404_084627.cif
_cod_data_source_block           (CpFe)2(H){N(TMS)2}
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'C26 H49 Fe2 N Si2 '
_cod_database_code               4075459