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_7057985
_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, 2(Cl O4), H2 O'
_chemical_formula_sum            'C8 H26 Cl2 Cu N20 O11'
_chemical_formula_weight         712.93
_chemical_name_common
'diaqua tetrakis(2-methyl-5-aminotetrazolyl) copper(II) diperchlorate hydrate'
_chemical_name_systematic
;
diaqua tetrakis(2-methyl-5-aminotetrazolyl) copper(II) diperchlorate hydrate
;
_space_group_IT_number           15
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_symmetry_space_group_name_Hall  '-C 2yc'
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;
'Fri Oct 14 17:14:15 2016'
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;
2018-11-20 deposited with the CCDC.
2018-11-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
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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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omega____ theta____ kappa____ phi______ frames
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  2 omega   45.00   92.20   0.8000   12.0000
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  5 omega   -9.00   19.00   0.8000   12.0000
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  6 omega  -20.00   64.00   0.8000   12.0000
omega____ theta____ kappa____ phi______ frames
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  7 omega   47.00   74.20   0.8000   12.0000
omega____ theta____ kappa____ phi______ frames
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  8 omega  -24.00   15.20   0.8000   12.0000
omega____ theta____ kappa____ phi______ frames
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            blue
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_refine_ls_extinction_method     none
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'w=1/[\s^2^(Fo^2^)+(0.0556P)^2^+48.5550P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj05375h2.cif
_cod_data_source_block           lx501
_cod_depositor_comments
'Adding full bibliography for 7057985--7057989.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
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