Coordination Assemblies of [Mn4] Single-Molecule Magnets Linked by Photochromic Ligands: Photochemical Control of the Magnetic Properties
Masakazu Morimoto; Hitoshi Miyasaka; Masahiro Yamashita; Masahiro Irie; Journal of the American Chemical Society 131 (2009) 9823–9835; doi:10.1021/ja903366d

data_4104700
_publ_section_title
;
 Coordination Assemblies of [Mn4] Single-Molecule Magnets Linked by
 Photochromic Ligands: Photochemical Control of the Magnetic Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9823
_journal_page_last               9835
_journal_paper_doi               10.1021/ja903366d
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C55 H59 Cl2 F6 Mn4 N7 O24 S2 '
_chemical_formula_sum            'C55 H59 Cl2 F6 Mn4 N7 O24 S2'
_chemical_formula_weight         1670.87
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.908(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   11.360(11)
_cell_length_b                   27.82(2)
_cell_length_c                   12.440(12)
_cell_measurement_reflns_used    7818
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3697(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_radiation_type           'Mo K?'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            38467
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.887
_exptl_absorpt_correction_T_max  0.915
_exptl_absorpt_correction_T_min  0.658
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1700.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.25
_refine_diff_density_min         -0.94
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     564
_refine_ls_number_reflns         6617
_refine_ls_R_factor_gt           0.0959
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 4.5000?(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1983
_reflns_number_gt                4787
_reflns_number_total             6635
_reflns_threshold_expression     F^2^>2.0?(F^2^)
_cod_data_source_file            ja903366d_si_002.cif
_cod_data_source_block           1c-Morimoto
_cod_original_formula_sum        'C55 H59 Cl2 F6 Mn4 N7 O24 S2 '
_cod_database_code               4104700