Single-molecule magnet behavior in heterometallic M(II)-Mn(III)(2)-M(II) tetramers (M(II) = Cu, Ni) containing Mn(III) salen-type dinuclear core.
Kachi-Terajima, Chihiro; Miyasaka, Hitoshi; Saitoh, Ayumi; Shirakawa, Naoki; Yamashita, Masahiro; Clérac, Rodolphe; Inorganic chemistry 46 (2007) 5861–5872; doi:10.1021/ic0620891

data_4339074
_publ_section_title
;
 Single-molecule magnet behavior in heterometallic M(II)-Mn(III)(2)-M(II)
 tetramers (M(II) = Cu, Ni) containing Mn(III) salen-type dinuclear core.
;
_journal_issue                   15
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5861
_journal_page_last               5872
_journal_paper_doi               10.1021/ic0620891
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C76 H94 Cu2 F6 N10 Mn2 O20 S2 '
_chemical_formula_sum            'C76 H94 Cu2 F6 Mn2 N10 O20 S2'
_chemical_formula_weight         1882.71
_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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 113.1168(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   17.078(7)
_cell_length_b                   11.888(4)
_cell_length_c                   21.335(9)
_cell_measurement_reflns_used    15009
_cell_measurement_temperature    103.1
_cell_measurement_theta_max      31.0
_cell_measurement_theta_min      3.7
_cell_volume                     3984(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.843
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            35248
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.05
_exptl_absorpt_coefficient_mu    0.981
_exptl_absorpt_correction_T_max  0.863
_exptl_absorpt_correction_T_min  0.738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1948.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.03
_refine_diff_density_min         -1.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     577
_refine_ls_number_reflns         6745
_refine_ls_R_factor_gt           0.0698
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0040Fo^2^ + 2.9000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2016
_reflns_number_gt                6025
_reflns_number_total             6751
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0620891-file001.cif
_cod_data_source_block           '_Mn2_Cu2_comp1a'
_cod_original_formula_sum        'C76 H94 Cu2 F6 N10 Mn2 O20 S2 '
_cod_database_code               4339074