2-Benzoylpyridine thiosemicarbazone as a novel reagent for the single pot synthesis of dinuclear Cu(I)-Cu(II) complexes: formation of stable copper(ii)-iodide bonds.
Lobana, Tarlok S.; Khanna, Sonia; Butcher, Ray J.; Dalton transactions (Cambridge, England : 2003) 41 (2012) 4845–4851; doi:10.1039/c2dt30068k

data_7018751
_publ_section_title
;
 2-Benzoylpyridine thiosemicarbazone as a novel reagent for the single pot
 synthesis of dinuclear Cu(I)-Cu(II) complexes: formation of stable
 copper(ii)-iodide bonds.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4845
_journal_page_last               4851
_journal_paper_doi               10.1039/c2dt30068k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C62 H54 Br2 Cu2 N8 P2 S2'
_chemical_formula_sum            'C62 H54 Br2 Cu2 N8 P2 S2'
_chemical_formula_weight         1324.09
_chemical_name_systematic
;
?
;
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_cell_length_c                   12.9683(19)
_cell_measurement_reflns_used    3597
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      32.5505
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_cell_volume                     1469.2(4)
_computing_cell_refinement
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_data_collection
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CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_data_reduction
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
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_computing_molecular_graphics    SHELXTL
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_device_type  'Oxford Diffraction Gemini'
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_diffrn_radiation_monochromator  graphite
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_diffrn_standards_decay_%        <2%
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow-brown'
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             672
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_refine_diff_density_max         0.399
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1302
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0256P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0546
_refine_ls_wR_factor_ref         0.0748
_reflns_number_gt                4085
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c2dt30068k.txt
_cod_data_source_block           4
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