Synthesis and characterization of xanthene-bridged Schiff-base dimanganese(III) complexes: bimetallic catalysts for asymmetric oxidation of sulfides.
Hirotsu, Masakazu; Ohno, Naoki; Nakajima, Takashi; Kushibe, Chie; Ueno, Keiji; Kinoshita, Isamu; Dalton transactions (Cambridge, England : 2003) 39 (2010) 139–148; doi:10.1039/b909491a

data_7024056
_publ_section_title
;
 Synthesis and characterization of xanthene-bridged Schiff-base
 dimanganese(III) complexes: bimetallic catalysts for asymmetric oxidation
 of sulfides.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              139
_journal_page_last               148
_journal_paper_doi               10.1039/b909491a
_journal_volume                  39
_journal_year                    2010
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C60 H70 F12 Mn2 N4 O10 P2 '
_chemical_formula_sum            'C60 H70 F12 Mn2 N4 O10 P2'
_chemical_formula_weight         1407.04
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_date             2008-10-04
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                71.281(8)
_cell_angle_beta                 88.558(10)
_cell_angle_gamma                76.806(8)
_cell_formula_units_Z            1
_cell_length_a                   7.8220(13)
_cell_length_b                   13.9842(16)
_cell_length_c                   15.372(2)
_cell_measurement_reflns_used    6724
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.0
_cell_volume                     1548.4(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_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.934
_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  0.030
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15142
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.556
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             726.00
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.54
_refine_diff_density_min         -0.94
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881. 2862 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.005(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     862
_refine_ls_number_reflns         9484
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0032Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1507
_reflns_number_gt                8496
_reflns_number_total             9484
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b909491a.txt
_cod_data_source_block           10
_cod_original_formula_sum        'C60 H70 F12 Mn2 N4 O10 P2 '
_cod_database_code               7024056