Through-bond magnetic interaction between the 2p spin of the aminoxyl radical and the 3d spin of the metal ions in the complexes of bis(hexafluoroacetylacetonato)-manganese(II) and -copper(II) with 4-(N-tert-butyl-N-oxylamino)-2,2'-bipyridine †
Kumada, Harumi; Sakane, Akira; Koga, Noboru; Iwamura, Hiizu; Journal of the Chemical Society, Dalton Transactions  (2000) 911–; doi:10.1039/a909564k

data_7009244
_publ_section_title
;
 Through-bond magnetic interaction between the 2p spin of the aminoxyl
 radical and the 3d spin of the metal ions in the complexes of
 bis(hexafluoroacetylacetonato)-manganese(II) and -copper(II) with
 4-(N-tert-butyl-N-oxylamino)-2,2'-bipyridine&#x200A;&#x2020;
;
_journal_issue                   6
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              911
_journal_paper_doi               10.1039/a909564k
_journal_year                    2000
_chemical_formula_moiety         'C24 H18 Cu F12 N3 O5 '
_chemical_formula_sum            'C24 H18 Cu F12 N3 O5'
_chemical_formula_weight         719.95
_chemical_name_common
;
Complex of Bis(hexafluoroacetylacetonato)copper(II) with
4-(N-tert-Butyl-N-oxylamino)-2,2-bipyridine.

;
_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'
_audit_creation_date             'Thu Sep  9 13:04:18 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 99.04(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.496(2)
_cell_length_b                   17.305(3)
_cell_length_c                   20.100(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      41.8
_cell_measurement_theta_min      39.5
_cell_volume                     2918.5(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.11872
_diffrn_orient_matrix_UB_12      -0.00109
_diffrn_orient_matrix_UB_13      0.01218
_diffrn_orient_matrix_UB_21      -0.00887
_diffrn_orient_matrix_UB_22      -0.04072
_diffrn_orient_matrix_UB_23      0.03451
_diffrn_orient_matrix_UB_31      0.00566
_diffrn_orient_matrix_UB_32      -0.04098
_diffrn_orient_matrix_UB_33      -0.03462
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_av_sigmaI/netI    0.067
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            4882
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         60.12
_diffrn_reflns_theta_min         2.23
_diffrn_standards_decay_%        1.48
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.147
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.510
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1440.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.924
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     514
_refine_ls_number_reflns         3135
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.8150
_refine_ls_shift/su_mean         0.1250
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00090|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.0832
_reflns_number_gt                3135
_reflns_number_total             4539
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            a909564k.txt
_cod_data_source_block           Cu
_cod_original_cell_volume        2918.4(10)
_cod_original_sg_symbol_H-M      'P 21/n       '
_cod_original_formula_sum        'C24 H18 Cu F12 N3 O5 '
_cod_database_code               7009244