Nature of Copper(II)-Lanthanide(III) Magnetic Interactions and Generation of a Large Magnetic Moment with Magnetic Anisotropy of 3d-4f Cyclic Cylindrical Tetranuclear Complexes [CuIILLnIII(hfac)2]2, (H3L= 1-(2-Hydroxybenzamido)-2-(2-hydroxy-3-methoxybenzylideneamino)ethane and Hhfac = Hexafluoroacetylacetone, LnIII= Eu, Gd, Tb, Dy)
Takafumi Kido; Yuichi Ikuta; Yukinari Sunatsuki; Yoshihiro Ogawa; Naohide Matsumoto; Nazzareno Re; Inorganic Chemistry 42 (2003) 398–408; doi:10.1021/ic026045d

data_4312998
_publ_contact_author_email       naohide@aster.sci.kumamoto-u.ac.jp
_publ_contact_author_fax         +81-96-342-3390
_publ_contact_author_name        'Naohide Matsumoto'
_publ_contact_author_phone       +81-96-342-3390
_publ_section_title
;
 Nature of Copper(II)-Lanthanide(III) Magnetic Interactions and Generation
 of a Large Magnetic Moment with Magnetic Anisotropy of 3d-4f Cyclic
 Cylindrical Tetranuclear Complexes [CuIILLnIII(hfac)2]2, (H3L=
 1-(2-Hydroxybenzamido)-2-(2-hydroxy-3-methoxybenzylideneamino)ethane and
 Hhfac = Hexafluoroacetylacetone, LnIII= Eu, Gd, Tb, Dy)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              398
_journal_page_last               408
_journal_paper_doi               10.1021/ic026045d
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C27 H17 Cu F12 Gd N2 O8 '
_chemical_formula_sum            'C27 H17 Cu F12 Gd N2 O8'
_chemical_formula_weight         946.22
_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'
_cell_angle_alpha                105.96(2)
_cell_angle_beta                 114.61(2)
_cell_angle_gamma                80.47(3)
_cell_formula_units_Z            2
_cell_length_a                   11.055(5)
_cell_length_b                   16.172(4)
_cell_length_c                   10.284(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.9
_cell_volume                     1604.4(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9993
_diffrn_measured_fraction_theta_max 0.9993
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.004
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5981
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_standards_decay_%        -0.47
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.837
_exptl_absorpt_correction_T_max  0.567
_exptl_absorpt_correction_T_min  0.218
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            'rddish purple'
_exptl_crystal_density_diffrn    1.958
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.01
_refine_diff_density_min         -0.68
_refine_ls_extinction_coef       -3.3(1)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   4.802
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     478
_refine_ls_number_reflns         5660
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0560
_reflns_number_gt                5055
_reflns_number_total             5661
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic026045d_s1_2.cif
_cod_data_source_block           '_CuLGd(hfac)2'
_cod_original_cell_volume        1604.4(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C27 H17 Cu F12 Gd N2 O8 '
_cod_database_code               4312998