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_7024055
_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_formula_moiety         'C82 H84 F12 Mn2 N4 O12 P2 '
_chemical_formula_sum            'C82 H84 F12 Mn2 N4 O12 P2'
_chemical_formula_weight         1717.39
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2008-10-04
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 102.814(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   12.7618(15)
_cell_length_b                   20.677(2)
_cell_length_c                   15.3620(17)
_cell_measurement_reflns_used    8874
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      32.0
_cell_measurement_theta_min      1.6
_cell_volume                     3952.7(7)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.821
_diffrn_measurement_device_type  'Rigaku RAXIS-UNKNOWN'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22785
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         32.30
_exptl_absorpt_coefficient_mu    0.452
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            darkBrown
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1776.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.91
_refine_diff_density_min         -0.68
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     588
_refine_ls_number_reflns         8961
_refine_ls_R_factor_gt           0.0549
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1480
_reflns_number_gt                5458
_reflns_number_total             8961
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b909491a.txt
_cod_data_source_block           4
_cod_original_formula_sum        'C82 H84 F12 Mn2 N4 O12 P2 '
_cod_database_code               7024055