2-Methyl-substituted monotetrazoles in copper(ii) perchlorate complexes: manipulating coordination chemistry and derived energetic properties
Zeisel, Lukas; Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Stierstorfer, Jörg; New Journal of Chemistry 43 (2019) 609–; doi:10.1039/C8NJ05375H

data_7057988
_publ_section_title
;
 2-Methyl-substituted monotetrazoles in copper(ii) perchlorate complexes:
 manipulating coordination chemistry and derived energetic properties
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              609
_journal_paper_doi               10.1039/C8NJ05375H
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C8 H24 Cu N20 O2, C2 H5 N5, 2(Cl O4)'
_chemical_formula_sum            'C10 H29 Cl2 Cu N25 O10'
_chemical_formula_weight         794.02
_chemical_name_common
'diaqua tetrakis(2-methyl--5-aminotetrazolyl) copper(II) diperchlorate'
_chemical_name_systematic
;
diaqua tetrakis(2-methyl--5-aminotetrazolyl) copper(II) diperchlorate
;
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_audit_creation_date
;
'Tue Jan 31 19:31:47 2017'
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2018-11-20 deposited with the CCDC.
2018-11-26 downloaded from the CCDC.
;
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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  1 omega -111.00  -84.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega  -74.00  -29.00   1.0000   15.0000
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  5 omega  -22.00   75.00   1.0000   15.0000
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  7 omega   34.00   75.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
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  8 omega   33.00   69.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            blue
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0439P)^2^+0.2238P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7057985--7057989.cif.'
_cod_database_code               7057988
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