The Trivalent Copper Complex of a Conjugated Bis-dithiocarbazate Schiff Base: Stabilization of Cu in Three Different Oxidation States
Mohammad Akbar Ali; Paul V. Bernhardt; Mathilde A. H. Brax; Jason England; Anthony J. Farlow; Graeme R. Hanson; Lee Len Yeng; Aminul Huq Mirza; Karl Wieghardt; Inorganic Chemistry 52 (2013) 1650–1657; doi:10.1021/ic302596h

data_4333767
_publ_section_title
;
 The Trivalent Copper Complex of a Conjugated Bis-dithiocarbazate Schiff
 Base: Stabilization of Cu in Three Different Oxidation States
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1650
_journal_page_last               1657
_journal_paper_doi               10.1021/ic302596h
_journal_volume                  52
_journal_year                    2013
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C24 H18 Cu1 F3 N4 S5'
_chemical_formula_sum            'C24 H18 Cu F3 N4 S5'
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_chemical_name_systematic
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 ?
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        CrysAlisPro, Oxford Diffraction Ltd.,
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        CrysAlisPro, Oxford Diffraction Ltd.,
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        CrysAlisPro, Oxford Diffraction Ltd.,
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_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
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_exptl_absorpt_coefficient_mu    1.254
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.95601
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;
        CrysAlisPro, Oxford Diffraction Ltd.,
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        empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_description       prism
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_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.522
_refine_diff_density_min         -0.275
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_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.808
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4648
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.808
_refine_ls_R_factor_all          0.0724
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0213P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0562
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_reflns_number_gt                2820
_reflns_number_total             4648
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302596h_si_002.cif
_cod_data_source_block           476a42
_cod_original_cell_volume        1332.89(14)
_cod_database_code               4333767