Carbon-sulfur bond cleavage reactions of dibenzothiophene derivatives mediated by iron and ruthenium carbonyls.
Hirotsu, Masakazu; Tsuboi, Chiaki; Nishioka, Takanori; Kinoshita, Isamu; Dalton transactions (Cambridge, England : 2003) 40 (2011) 785–787; doi:10.1039/c0dt00768d

data_7014415
_publ_section_title
;
 Carbon-sulfur bond cleavage reactions of dibenzothiophene derivatives
 mediated by iron and ruthenium carbonyls.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              785
_journal_page_last               787
_journal_paper_doi               10.1039/c0dt00768d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C22 H11 Fe2 N O5 S '
_chemical_formula_sum            'C22 H11 Fe2 N O5 S'
_chemical_formula_weight         513.09
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2009-11-05
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.409(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   8.9173(5)
_cell_length_b                   28.4618(14)
_cell_length_c                   16.4666(10)
_cell_measurement_reflns_used    10480
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.1
_cell_volume                     3987.8(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      193.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30012
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.594
_exptl_absorpt_correction_T_max  0.800
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2064.00
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     647
_refine_ls_number_reflns         8999
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0008Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0858
_reflns_number_gt                7436
_reflns_number_total             8999
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            C0DT00768D.TXT
_cod_data_source_block           2
_cod_original_formula_sum        'C22 H11 Fe2 N O5 S '
_cod_database_code               7014415