Synthesis, Structures, and Magnetic Properties of Face-Sharing Heterodinuclear Ni(II)-Ln(III) (Ln = Eu, Gd, Tb, Dy) Complexes
Tomoka Yamaguchi; Yukinari Sunatsuki; Hiroyuki Ishida; Masaaki Kojima; Haruo Akashi; Nazzareno Re; Naohide Matsumoto; Andrzej Pochaba; Jerzy Mroziński; Inorganic Chemistry 47 (2008) 5736–5745; doi:10.1021/ic8000575

data_4305244
_publ_contact_author_email       kojima@cc.okayama-u.ac.jp
_publ_contact_author_fax         +81-86-251-7842
_publ_contact_author_name        'Masaaki KOJIMA'
_publ_contact_author_phone       +81-86-251-7842
_publ_section_title
;
Synthesis, Structures, and Magnetic Properties of Face-Sharing
Heterodinuclear Ni(II)-Ln(III) (Ln = Eu, Gd, Tb, Dy) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5736
_journal_page_last               5745
_journal_paper_doi               10.1021/ic8000575
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C40 H38 F12 N3 O9 Tb Zn '
_chemical_formula_sum            'C40 H38 F12 N3 O9 Tb Zn'
_chemical_formula_weight         1157.04
_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                85.906(3)
_cell_angle_beta                 77.6875(12)
_cell_angle_gamma                71.272(3)
_cell_formula_units_Z            2
_cell_length_a                   12.9382(8)
_cell_length_b                   13.3429(10)
_cell_length_c                   13.4663(10)
_cell_measurement_reflns_used    5953
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.5
_cell_volume                     2151.0(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.919
_diffrn_measured_fraction_theta_max 0.788
_diffrn_measurement_device_type  'Rigaku RAXIS-IV'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7782
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.294
_exptl_absorpt_correction_T_max  0.795
_exptl_absorpt_correction_T_min  0.578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1148.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.46
_refine_diff_density_min         -3.10
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.382
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     596
_refine_ls_number_reflns         7782
_refine_ls_R_factor_gt           0.0686
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1723
_reflns_number_gt                6545
_reflns_number_total             7782
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic8000575-file001_9.cif
_cod_data_source_block           '_[(ZnL)Tb(hfac)2(EtOH)]'
_cod_original_formula_sum        'C40 H38 F12 N3 O9 Tb Zn '
_cod_database_code               4305244