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_4323108
_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            'C66 H66 Mn4 N8 O16'
_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 18:35:10 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 110.122(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2.00
_cell_length_a                   12.511(2)
_cell_length_b                   21.129(3)
_cell_length_c                   12.811(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      28.83
_cell_measurement_theta_min      25.61
_cell_volume                     3179.8(8)
_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)'
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.02662
_diffrn_orient_matrix_UB_12      -0.00995
_diffrn_orient_matrix_UB_13      -0.08125
_diffrn_orient_matrix_UB_21      0.00419
_diffrn_orient_matrix_UB_22      -0.04626
_diffrn_orient_matrix_UB_23      0.01743
_diffrn_orient_matrix_UB_31      -0.08074
_diffrn_orient_matrix_UB_32      0.00088
_diffrn_orient_matrix_UB_33      -0.00246
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  6.68
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       1
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6055
_diffrn_reflns_theta_max         25.0014
_diffrn_standards_decay_%        3.83
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 8.524
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.881
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1492.00
_exptl_crystal_size_max          0.710
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.130
_refine_diff_density_max         -0.39970
_refine_diff_density_min         0.71330
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.230
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         2644
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0670
_refine_ls_shift/esd_max         2.8170
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0720
_cod_data_source_file            ic980543y_4.cif
_cod_data_source_block           '[MnLPh(MeOH)]2[MnOH(bipy)]2_4MeOH'
_cod_original_cell_volume        3179.8(7)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C66 H66 N8 O16 Mn4'
_cod_database_code               4323108