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_4104701
_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         'C53 H56 Cl2 F6 Mn4 N6 O24 S2 '
_chemical_formula_sum            'C53 H56 Cl2 F6 Mn4 N6 O24 S2'
_chemical_formula_weight         1629.82
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 104.848(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   32.50(2)
_cell_length_b                   14.219(8)
_cell_length_c                   14.468(9)
_cell_measurement_reflns_used    9214
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.1
_cell_volume                     6463(7)
_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 0.993
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       w
_diffrn_radiation_type           'Mo Ka'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            25491
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.011
_exptl_absorpt_correction_T_max  0.817
_exptl_absorpt_correction_T_min  0.580
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_description       prism
_exptl_crystal_F_000             3312.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.48
_refine_diff_density_min         -1.08
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     460
_refine_ls_number_reflns         5650
_refine_ls_R_factor_gt           0.0601
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 6.7000s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1489
_reflns_number_gt                4411
_reflns_number_total             5652
_reflns_threshold_expression     F^2^>2.0s(F^2^)
_cod_data_source_file            ja903366d_si_003.cif
_cod_data_source_block           '__1o-Morimoto'
_cod_original_cell_volume        6464(7)
_cod_original_formula_sum        'C53 H56 Cl2 F6 Mn4 N6 O24 S2 '
_cod_database_code               4104701