Exchange Coupling and Energy-Level Crossing in a Magnetic Chain [Dy2Cu2]nEvaluated by High-Frequency Electron Paramagnetic Resonance
Okazawa, Atsushi; Nogami, Takashi; Nojiri, Hiroyuki; Ishida, Takayuki; Chemistry of Materials 20 (2008) 3110–; doi:10.1021/cm703530n

data_4001146
_publ_section_title
;
 Exchange Coupling and Energy-Level Crossing in a Magnetic Chain
 [Dy2Cu2]nEvaluated by High-Frequency Electron Paramagnetic Resonance
;
_journal_issue                   9
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3110
_journal_paper_doi               10.1021/cm703530n
_journal_volume                  20
_journal_year                    2008
_chemical_formula_moiety         'C19 H19 Cu Dy F12 N4 O9 '
_chemical_formula_sum            'C19 H19 Cu Dy F12 N4 O9'
_chemical_formula_weight         901.43
_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                71.530(4)
_cell_angle_beta                 75.669(3)
_cell_angle_gamma                84.702(5)
_cell_formula_units_Z            2
_cell_length_a                   10.5791(9)
_cell_length_b                   11.0987(13)
_cell_length_c                   14.1662(12)
_cell_measurement_reflns_used    8016
_cell_measurement_temperature    118
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.6
_cell_volume                     1528.4(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.081
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15027
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_exptl_absorpt_coefficient_mu    3.249
_exptl_absorpt_correction_T_max  0.614
_exptl_absorpt_correction_T_min  0.544
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.959
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             872.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.84
_refine_diff_density_min         -2.04
_refine_ls_extinction_coef       489(27)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.172
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     459
_refine_ls_number_reflns         7318
_refine_ls_R_factor_gt           0.0615
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0015Fo^2^ + 3.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0889
_reflns_number_gt                6075
_reflns_number_total             7318
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            cm703530n-file002.cif
_cod_data_source_block           '_Dy2Cu2_chain'
_cod_original_formula_sum        'C19 H19 Cu Dy F12 N4 O9 '
_cod_database_code               4001146