New catalyst systems for iron-catalyzed hydrosilane reduction of carboxamides
Hironori Tsutsumi; Yusuke Sunada; Hideo Nagashima; Chem.Commun. 47 (2011) 6581–; doi:10.1039/c1cc10636h

data_7106508
_publ_section_title
;
 New catalyst systems for iron-catalyzed hydrosilane reduction of
 carboxamides
;
_journal_name_full               Chem.Commun.
_journal_page_first              6581
_journal_paper_doi               10.1039/c1cc10636h
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C34 H30 Fe7 N4 O26'
_chemical_formula_sum            'C34 H30 Fe7 N4 O26'
_chemical_formula_weight         1301.55
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                76.22(14)
_cell_angle_beta                 73.60(12)
_cell_angle_gamma                66.89(8)
_cell_formula_units_Z            1
_cell_length_a                   9.979(5)
_cell_length_b                   11.850(3)
_cell_length_c                   11.906(5)
_cell_measurement_reflns_used    162
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.18
_cell_volume                     1229.2(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 14.222
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11787
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.094
_exptl_absorpt_correction_T_max  0.846
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.758
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             652.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.918
_refine_diff_density_min         -0.421
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     340
_refine_ls_number_reflns         5478
_refine_ls_R_factor_gt           0.0247
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0020Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0989
_reflns_number_gt                5314
_reflns_number_total             5478
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c1cc10636h.txt
_cod_data_source_block           (Fe3(CO)11(H))2(Fe(DMF)4)
_cod_database_code               7106508