Chlorobis(<i>N</i>-phenylsalicylideneaminato-<i>O</i>,<i>N</i>)manganese(III): a manganese Schiff-base complex derived by an electrochemical route
McAuliffe, C. A.; Pritchard, R. G.; Luaces, L.; Garcia-Vazquez, J. A.; Romero, J.; Bermejo, M. R.; Sousa, A.; Acta Crystallographica Section C 49 (1993) 587–589; doi:10.1107/S010827019201120X

data_2001907
_publ_section_title
;Chlorobis(<i>N</i>-phenylsalicylideneaminato-<i>O</i>,<i>N</i>)manganese(III):
 a manganese Schiff-base complex derived by an electrochemical route
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              587
_journal_page_last               589
_journal_paper_doi               10.1107/S010827019201120X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_analytical     'C26 H20 Cl1 N2 O2 Mn1'
_chemical_formula_sum            'C26 H20 Cl Mn N2 O2'
_chemical_formula_weight         482.85
_chemical_name_systematic
;
[Bis(N-phenylsalicylideneaminato-O,N)chloride]manganese(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.62(2)
_cell_angle_beta                 67.58(2)
_cell_angle_gamma                78.86(4)
_cell_formula_units_Z            2
_cell_length_a                   9.688(3)
_cell_length_b                   10.669(3)
_cell_length_c                   12.447(5)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    396
_cell_measurement_theta_max      17.36
_cell_measurement_theta_min      15.42
_cell_volume                     1112.1(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction
'TEXSAN: PROCESS (Molecular Structure Corporation, 1985)'
_computing_molecular_graphics    'TEXSAN: PLUTO, ORTEP'
_computing_publication_material  'TEXSAN: FINISH '
_computing_structure_refinement  'TEXSAN: LS'
_computing_structure_solution    'MITHRIL (Gilmore)'
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3991
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         0
_diffrn_standards_decay_%        'not significant'
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.716
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.95
_exptl_absorpt_correction_type   'azimuthal scans showed not needed'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_description       plate
_exptl_crystal_F_000             496.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         -0.31
_refine_diff_density_min         0.31
_refine_ls_extinction_coef       8.08045
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.08
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         2874
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.04
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.025
_reflns_number_observed          2874
_reflns_number_total             3919
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            li1035.cif
_cod_data_source_block           U186
_cod_original_cell_volume        1112.0(10)
_cod_original_sg_symbol_H-M      'P -1                   '
_cod_original_formula_sum        'C26 H20 Cl1 Mn1 N2 O2'
_cod_database_code               2001907