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_4323105
_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 Mn2 N8 O18 Zn2'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Tue Dec  9 19:03:29 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                106.58(1)
_cell_angle_beta                 117.89(1)
_cell_angle_gamma                78.57(2)
_cell_formula_units_Z            1.00
_cell_length_a                   12.367(3)
_cell_length_b                   12.844(2)
_cell_length_c                   12.262(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      29.99
_cell_measurement_theta_min      29.43
_cell_volume                     1645.1(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)'
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.00176
_diffrn_orient_matrix_UB_12      0.03628
_diffrn_orient_matrix_UB_13      0.08457
_diffrn_orient_matrix_UB_21      -0.03531
_diffrn_orient_matrix_UB_22      0.06969
_diffrn_orient_matrix_UB_23      -0.02902
_diffrn_orient_matrix_UB_31      -0.08467
_diffrn_orient_matrix_UB_32      -0.02158
_diffrn_orient_matrix_UB_33      -0.03104
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  2.14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -3
_diffrn_reflns_number            6073
_diffrn_reflns_theta_max         24.9913
_diffrn_standards_decay_%        -0.19
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 11.751
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.943
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             792.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         -0.58100
_refine_diff_density_min         1.11620
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.810
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         4541
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0400
_refine_ls_shift/esd_max         8.2690
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0340
_cod_data_source_file            ic980543y_1.cif
_cod_data_source_block           '[MnLPh(MeOH)]2[ZnOH(bpy)]2_6MeOH'
_cod_original_cell_volume        1645.0(6)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C68 H74 N8 O18 Mn2 Zn2'
_cod_database_code               4323105