Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing Bis(trimethylsilyl)amide and Thiolate Ligands
Shun Ohta; Saori Yokozawa; Yasuhiro Ohki; Kazuyuki Tatsumi; Inorganic Chemistry 51 (2012) 2645–2651; doi:10.1021/ic2025928

data_4328440
_publ_section_title
;
 Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing
 Bis(trimethylsilyl)amide and Thiolate Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2645
_journal_page_last               2651
_journal_paper_doi               10.1021/ic2025928
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C48 H102 Fe3 N3 O S3 Si6'
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                89.422(7)
_cell_formula_units_Z            4
_cell_length_a                   15.234(3)
_cell_length_b                   19.699(3)
_cell_length_c                   22.889(4)
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_cell_measurement_temperature    173
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.03
_cell_volume                     6484(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
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_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
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_computing_structure_solution    SIR97
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0431
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_diffrn_reflns_limit_l_max       29
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_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
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_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_T_max  0.956
_exptl_absorpt_correction_T_min  0.775
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_description       platelet
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_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
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_refine_diff_density_min         -1.470
_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.023
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1147P)^2^+15.6942P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2348
_reflns_number_gt                21870
_reflns_number_total             29422
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic2025928_si_001_4.cif
_cod_data_source_block           3b
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