Symmetrically Related Construction and Optical Properties of Two Noncentrosymmetric 3D Iodides of d(10) Cation (Cu(+), Ag(+)) Based on the N-Benzylpyridinium and Its Supramolecular Interactions.
Qiao, Yanrong; Hao, Pengfei; Fu, Yunlong; Inorganic chemistry 54 (2015) 8705–8710; doi:10.1021/acs.inorgchem.5b01331

data_4346358
_publ_section_title
;
 Symmetrically Related Construction and Optical Properties of Two
 Noncentrosymmetric 3D Iodides of d(10) Cation (Cu(+), Ag(+)) Based on the
 N-Benzylpyridinium and Its Supramolecular Interactions.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8705
_journal_page_last               8710
_journal_paper_doi               10.1021/acs.inorgchem.5b01331
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'Cu6 I8, 2(C12 H12 N)'
_chemical_formula_sum            'C24 H24 Cu6 I8 N2'
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            orange
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0251P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
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The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_Hall     'P 2ac 2ab  '
_cod_database_code               4346358