Syntheses and magnetic properties of Cu(II)(hfac)2 and Mn(II)(hfac)2 complexes of 4-pyridyl-substituted thioaminyl radicals.
Miura, Yozo; Kato, Ikumi; Teki, Yoshio; Dalton transactions (Cambridge, England : 2003)  (2006) 961–966; doi:10.1039/b508014b

data_7006352
_publ_section_title
;
 Syntheses and magnetic properties of Cu(II)(hfac)2 and Mn(II)(hfac)2
 complexes of 4-pyridyl-substituted thioaminyl radicals.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              961
_journal_page_last               966
_journal_paper_doi               10.1039/b508014b
_journal_year                    2006
_chemical_formula_moiety         'C68 H38 Cl6 F12 Mn N4 O4 S2 '
_chemical_formula_sum            'C68 H38 Cl6 F12 Mn N4 O4 S2'
_chemical_formula_weight         1534.83
_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             'Wed Aug 31 08:54:57 2005'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 111.160(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.950(2)
_cell_length_b                   6.1000(4)
_cell_length_c                   29.270(3)
_cell_measurement_reflns_used    6205
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3321.8(5)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  'teXsan Ver. 2.0'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9860
_diffrn_measured_fraction_theta_max 0.9860
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            25861
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.589
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1546.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.68
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     439
_refine_ls_number_reflns         7486
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1202
_reflns_number_gt                5334
_reflns_number_total             7486
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b508014b.txt
_cod_data_source_block           '_kato2'
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C68 H38 Cl6 F12 Mn N4 O4 S2 '
_cod_database_code               7006352