Ferro- and Ferrimagnetic Chains of hin-Bridged Copper(II) and Manganese(II) and hnn-Bridged Manganese(II) Complexes (hin = 4,4,5,5-Tetramethylimidazolin-1-oxyl; hnn = 4,4,5,5-Tetramethylimidazolin-1-oxyl 3-Oxide)
Tomoaki Ise; Takayuki Ishida; Daisuke Hashizume; Fujiko Iwasaki; Takashi Nogami; Inorganic Chemistry 42 (2003) 6106–6113; doi:10.1021/ic034392x

data_4314246
_publ_contact_author_address
;
    Department of Applied Physics and Chemistry, The University of
    Electro-Communications, Chofu, Tokyo 182-8585, Japan
;
_publ_contact_author_email       ' ishi@pc.uec.ac.jp '
_publ_contact_author_fax         ' +81-424-43-5501 '
_publ_contact_author_name        ' Takayuki Ishida'
_publ_contact_author_phone       ' +81-424-43-5490 '
_publ_section_title
;
 Ferro- and Ferrimagnetic Chains of hin-Bridged Copper(II) and
 Manganese(II) and hnn-Bridged Manganese(II) Complexes (hin =
 4,4,5,5-Tetramethylimidazolin-1-oxyl; hnn =
 4,4,5,5-Tetramethylimidazolin-1-oxyl 3-Oxide)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6106
_journal_page_last               6113
_journal_paper_doi               10.1021/ic034392x
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C17 H15 Cu F12 N2 O5'
_chemical_formula_weight         618.85
_chemical_name_common            '[Cu(hfac)2.hin]'
_chemical_name_systematic
; 
 4,4,5,5-tetramethylimidazolin-1-oxyl
 copper(II) 1,1,1,5,5,5-hexafluoropentane-2,4-dionate polymer 
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.8587(10)
_cell_length_b                   10.8356(6)
_cell_length_c                   12.8298(10)
_cell_measurement_temperature    93
_cell_volume                     2343.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0551
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2677
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    1.059
_exptl_absorpt_correction_T_max  0.8573
_exptl_absorpt_correction_T_min  0.7418
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1232
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.445
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       0.0061(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     205
_refine_ls_number_reflns         2677
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      0.954
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0636P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1081
_refine_ls_wR_factor_ref         0.1194
_reflns_number_gt                1637
_reflns_number_total             2677
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034392xsi20030414_095109_1.cif
_cod_data_source_block           '[Cu(hfac)2.hin]'
_cod_database_code               4314246