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_4314247
_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 F12 Mn N2 O6'
_chemical_formula_weight         626.23
_chemical_name_common            '[Mn(hfac)2.hnn]'
_chemical_name_systematic
; 
 4,4,5,5-tetramethylimidazolin-1-oxyl 3-oxide
 manganese(II) 1,1,1,5,5,5-hexafluoropentane-2,4-dionate polymer 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 103.486(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.8592(9)
_cell_length_b                   12.4360(5)
_cell_length_c                   21.702(1)
_cell_measurement_reflns_used    69820
_cell_measurement_temperature    100.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.3
_cell_volume                     4687.0(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9796
_diffrn_measured_fraction_theta_max 0.9796
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.081
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            36350
_diffrn_reflns_theta_full        27.25
_diffrn_reflns_theta_max         27.25
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.01
_refine_diff_density_min         -0.97
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     834
_refine_ls_number_reflns         10285
_refine_ls_R_factor_gt           0.0682
_refine_ls_shift/su_max          0.2965
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.12000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2001
_reflns_number_gt                6700
_reflns_number_total             10292
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic034392xsi20030414_095109_2.cif
_cod_data_source_block           x[Mn(hfac)2.hnn]
_cod_original_cell_volume        4687.1(4)
_cod_original_formula_sum        'C17 H15 F12 N2 Mn O6 '
_cod_database_code               4314247