Molecular Structures and Magnetic Properties of the Mixed-Ligand Complexes of Bis(hexafluoroacetylacetonato)manganese(II), -copper(II), and -zinc(II) with 4,4'-Bis(N-tert-butyl-N-oxylamino)-2,2'-bipyridine. Isosceles Triangular Hetero-Three-Spin Systems Consisting of Aminoxyls and Metal Ions
Akira Sakane; Harumi Kumada; Satoru Karasawa; Noboru Koga; Hiizu Iwamura; Inorganic Chemistry 39 (2000) 2891–2896; doi:10.1021/ic991205f

data_4321093
_publ_contact_author_address
;
  Graduate School of Pharmaceutical Sciences, Kyushu University
 Maidashi, Higashi-ku
 Fukuoka 812-858
 Japan
;
_publ_contact_author_email       ' sakane@yakukaws.phar.kyushu-u.ac.jp '
_publ_contact_author_fax         ' +81-92-642-6590 '
_publ_contact_author_name        'Akira, Sakane'
_publ_contact_author_phone       ' +81-92-642-6592 '
_publ_section_title
;
 Molecular Structures and Magnetic Properties of the Mixed-Ligand
 Complexes of Bis(hexafluoroacetylacetonato)manganese(II), -copper(II),
 and -zinc(II) with 4,4'-Bis(N-tert-butyl-N-oxylamino)-2,2'-bipyridine.
 Isosceles Triangular Hetero-Three-Spin Systems Consisting of Aminoxyls
 and Metal Ions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2891
_journal_page_last               2896
_journal_paper_doi               10.1021/ic991205f
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         'C18 H26 N4 O2 '
_chemical_formula_sum            'C18 H26 N4 O2'
_chemical_formula_weight         330.43
_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                108.29(2)
_cell_angle_beta                 109.18(2)
_cell_angle_gamma                100.57(2)
_cell_formula_units_Z            1
_cell_length_a                   8.349(2)
_cell_length_b                   9.068(2)
_cell_length_c                   6.700(1)
_cell_measurement_reflns_used    16
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      21.5
_cell_measurement_theta_min      10.6
_cell_volume                     431.0(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan for Windows (MSC, 1997)'
_computing_publication_material  'teXsan for Windows (MSC, 1997)'
_computing_structure_refinement  'teXsan for Windows (MSC, 1997)'
_computing_structure_solution
;
SHELXS86 (Sheldrick, 1985)
;
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.07572
_diffrn_orient_matrix_UB_12      -0.06662
_diffrn_orient_matrix_UB_13      -0.04342
_diffrn_orient_matrix_UB_21      -0.08074
_diffrn_orient_matrix_UB_22      -0.09789
_diffrn_orient_matrix_UB_23      -0.00349
_diffrn_orient_matrix_UB_31      -0.07521
_diffrn_orient_matrix_UB_32      -0.03168
_diffrn_orient_matrix_UB_33      -0.16708
_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  0.03388
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         60.09
_diffrn_reflns_theta_min         5.42
_diffrn_standards_decay_%        -0.17
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.682
_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_correction_T_min  0.875
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_meas      1.200
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             178.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.00
_refine_diff_density_min         0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.078
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     109
_refine_ls_number_reflns         795
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     unit
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0463
_refine_ls_wR_factor_ref         0.0463
_reflns_number_gt                795
_reflns_number_total             1282
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            ic991205f_1.cif
_cod_data_source_block           '_4'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'psi scan' changed to
'psi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C18 H26 N4 O2 '
_cod_database_code               4321093