Synthesis, Magnetic Properties, and Incomplete Double-Cubane Structure of Manganese(III)-Metal(II) Complexes [Mn(MeOH)L(OH)M(bpy)]2 (M = Zn, Cu, Ni, and Mn; H4L = 1,2-Bis(2-hydroxybenzamido)benzene; bpy = 2,2'-Bipyridine)
Yukinari Sunatsuki; Hiromitsu Shimada; Toshihiro Matsuo; Masaaki Nakamura; Fumiaki Kai; Naohide Matsumoto; Nazzareno Re; Inorganic Chemistry 37 (1998) 5566–5574; doi:10.1021/ic980543y

data_4323106
_publ_contact_author
;
 Naohide Matsumoto, Department of Chemistry, Faculty of Science,
Kumamoto University, Kurokami 2-39-1, Kumamoto 860-8555, Japan
;
_publ_contact_author_email       naohide@aster.sci.kumamoto-u.ac.jp
_publ_contact_author_fax         ' +81-96-342-3390'
_publ_contact_author_phone       ' +81-96-342-3390 '
_publ_section_title
;
 Synthesis, Magnetic Properties, and Incomplete Double-Cubane Structure of
 Manganese(III)-Metal(II) Complexes [Mn(MeOH)L(OH)M(bpy)]2 (M = Zn, Cu,
 Ni, and Mn; H4L = 1,2-Bis(2-hydroxybenzamido)benzene; bpy =
 2,2'-Bipyridine)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5566
_journal_page_last               5574
_journal_paper_doi               10.1021/ic980543y
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C68 H74 Cu2 Mn2 N8 O18'
_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             'Tue Dec  9 19:56:21 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 107.076(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2.00
_cell_length_a                   13.447(1)
_cell_length_b                   12.670(2)
_cell_length_c                   21.732(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      29.98
_cell_measurement_theta_min      29.15
_cell_volume                     3539.3(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_computing_structure_solution    SIR88
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.02272
_diffrn_orient_matrix_UB_12      0.06780
_diffrn_orient_matrix_UB_13      0.02348
_diffrn_orient_matrix_UB_21      -0.06325
_diffrn_orient_matrix_UB_22      -0.00068
_diffrn_orient_matrix_UB_23      0.01530
_diffrn_orient_matrix_UB_31      0.03919
_diffrn_orient_matrix_UB_32      -0.04040
_diffrn_orient_matrix_UB_33      0.03914
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  3.43
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6817
_diffrn_reflns_theta_max         24.9946
_diffrn_standards_decay_%        0.47
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 10.153
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_description       prism
_exptl_crystal_F_000             1580.00
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.360
_exptl_crystal_size_min          0.100
_refine_diff_density_max         -0.65680
_refine_diff_density_min         0.95670
_refine_ls_extinction_coef       0.49968
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.990
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         3652
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0590
_refine_ls_shift/esd_max         9.9560
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0490
_cod_data_source_file            ic980543y_2.cif
_cod_data_source_block           '[MnLPh(MeOH)][CuOH(bpy)]2_6MeOH'
_cod_original_cell_volume        3539.3(5)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C68 H74 N8 O18 Mn2 Cu2'
_cod_database_code               4323106