Synthesis and Magnetic Properties of Heterometal Cyclic Tetranuclear Complexes [CuIILMII(hfac)]2 (MII= Zn, Cu, Ni, Co, Fe, Mn; H3L = 1-(2-Hydroxybenzamido)-2-((2-hydroxy-3-methoxybenzylidene)amino)ethane; Hhfac = Hexafluoroacetylacetone)
Shutaro Osa; Yukinari Sunatsuki; Yoko Yamamoto; Masaaki Nakamura; Tomoshige Shimamoto; Naohide Matsumoto; Nazzareno Re; Inorganic Chemistry 42 (2003) 5507–5512; doi:10.1021/ic0344012

data_4314189
_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
;
 Synthesis and Magnetic Properties of Heterometal Cyclic Tetranuclear
 Complexes [CuIILMII(hfac)]2 (MII= Zn, Cu, Ni, Co, Fe, Mn; H3L =
 1-(2-Hydroxybenzamido)-2-((2-hydroxy-3-methoxybenzylidene)amino)ethane;
 Hhfac = Hexafluoroacetylacetone)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5507
_journal_page_last               5512
_journal_paper_doi               10.1021/ic0344012
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C22.50 H17 Cl Cu2 F6 N2 O6 '
_chemical_formula_sum            'C22.5 H17 Cl Cu2 F6 N2 O6'
_chemical_formula_weight         687.93
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.71(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.488(6)
_cell_length_b                   10.551(8)
_cell_length_c                   15.329(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      14.7
_cell_measurement_theta_min      14.2
_cell_volume                     2679(2)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.10'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9998
_diffrn_measured_fraction_theta_max 0.9998
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5205
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_exptl_absorpt_coefficient_mu    1.769
_exptl_absorpt_correction_T_max  0.702
_exptl_absorpt_correction_T_min  0.661
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1372.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.44
_refine_diff_density_min         -1.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.903
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     368
_refine_ls_number_reflns         4721
_refine_ls_R_factor_gt           0.0640
_refine_ls_shift/su_max          0.0210
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    2922.0000    0.0000    -2195.0900
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0620
_reflns_number_gt                2645
_reflns_number_total             4722
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0344012si20030415_102107_2.cif
_cod_data_source_block           '_[CuLCu(hfac)]2_CH2Cl2'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'psi-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2679.0(2)
_cod_original_formula_sum        'C22.50 H17 Cl Cu2 F6 N2 O6 '
_cod_database_code               4314189