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_4339076
_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 H90 Cu2 F6 N10 Mn2 O18 S2 '
_chemical_formula_sum            'C76 H90 Cu2 F6 Mn2 N10 O18 S2'
_chemical_formula_weight         1846.68
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 113.4930(15)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   16.839(7)
_cell_length_b                   12.120(5)
_cell_length_c                   20.886(9)
_cell_measurement_reflns_used    12679
_cell_measurement_temperature    103.1
_cell_measurement_theta_max      31.0
_cell_measurement_theta_min      3.4
_cell_volume                     3909(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 0.994
_diffrn_measured_fraction_theta_max 0.874
_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  0.027
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            33217
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         30.99
_exptl_absorpt_coefficient_mu    0.997
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.604
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1908.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.15
_refine_diff_density_min         -1.03
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     568
_refine_ls_number_reflns         8911
_refine_ls_R_factor_gt           0.0652
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0030Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1865
_reflns_number_gt                7405
_reflns_number_total             8923
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0620891si20061102_121324.cif
_cod_data_source_block           '__Mn2_Cu2_comp1b'
_cod_original_formula_sum        'C76 H90 Cu2 F6 N10 Mn2 O18 S2 '
_cod_database_code               4339076