Catalysis and Kinetics of Hydrogen Peroxide Disproportionation by Dinuclear Manganese(III) Complexes of 1,5-Bis(salicylidenamino)pentan-3-ol and the 5-Bromophenyl-Substituted Derivative
Claudia Palopoli; Benoit Chansou; Jean-Pierre Tuchagues; Sandra Signorella; Inorganic Chemistry 39 (2000) 1458–1462; doi:10.1021/ic991030+

data_4327645
_publ_contact_author             'Benoit Chansou'
_publ_contact_author_address
;
Laboratoire de Chimie de Coordination
UPR-CNRS 8241
205, route de Narbonne
31077 Toulouse cedex, France
;
_publ_contact_author_email       ' chansou@lcc-toulouse.fr '
_publ_contact_author_fax         ' (33) 5 61 55 30 03 '
_publ_contact_author_phone       ' (33) 5 61 33 31 49 '
_publ_section_title
;
 Catalysis and Kinetics of Hydrogen Peroxide Disproportionation by
 Dinuclear Manganese(III) Complexes of
 1,5-Bis(salicylidenamino)pentan-3-ol and the 5-Bromophenyl-Substituted
 Derivative
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1458
_journal_page_last               1462
_journal_paper_doi               10.1021/ic991030+
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         ' C24 H31 Mn2 Br3 O8 N2 '
_chemical_formula_sum            'C24 H31 Br3 Mn2 N2 O8'
_chemical_formula_weight         825.09
_chemical_name_systematic
;
dimanganese(mu-acetato)(mu-methoxy)(1,5-bis(5-bromosalicylidenamino)
pentan-3-olato)(di-methanol)bromide
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             99-09-09
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 102.310
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.081
_cell_length_b                   13.429
_cell_length_c                   17.375
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    160
_cell_measurement_theta_max      24.2
_cell_measurement_theta_min      1.9
_cell_volume                     2982.001
_computing_cell_refinement       'Stoe IPDS software (Stoe, 1996)'
_computing_data_collection       'Stoe IPDS software (Stoe, 1996)'
_computing_data_reduction        'XRED (Stoe, 1.08, 1996)'
_computing_molecular_graphics
;
 CAMERON (Watkin, Prout & Pearce,  1996)
;
_computing_publication_material
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_refinement
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_solution
;
SIR92 (Giacovazzo et al, 1992)'
;
_diffrn_ambient_temperature      160
_diffrn_measurement_device_type  'Stoe IPDS '
_diffrn_measurement_method       \f
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.10
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4691
_diffrn_reflns_theta_max         24.20
_diffrn_reflns_theta_min         1.93
_diffrn_standards_decay_%        negligible
_diffrn_standards_interval_time  ' every frame '
_diffrn_standards_number         200
_exptl_absorpt_coefficient_mu    4.84
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Stoe (1996) X-SHAPE '
_exptl_crystal_colour            ' dark green '
_exptl_crystal_density_diffrn    1.84
_exptl_crystal_description       ' square needle '
_exptl_crystal_F_000             1630.45
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.56
_refine_diff_density_min         -0.74
_refine_ls_goodness_of_fit_obs   0.8093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         3422
_refine_ls_R_factor_obs          0.0386
_refine_ls_shift/esd_max         0.267570
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_obs         0.0454
_reflns_limit_h_max              14
_reflns_limit_h_min              -14
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              20
_reflns_limit_l_min              0
_reflns_number_observed          3422
_reflns_number_total             24285
_reflns_observed_criterion       >3.00\s(I)
_cod_data_source_file            ic9910302B.cif
_cod_data_source_block           (1)
_cod_original_cell_volume        2982.00
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_original_formula_sum        ' C24 H31 Mn2 Br3 O8 N2 '
_cod_database_code               4327645