Information card for entry 4341303

Structure parameters

• Common name: [Cu(dt-5-e)~2~(H~2~O)~2~](ClO~4~)~2~ * 2 H~2~O
• Formula: C8 H20 Cl2 Cu N16 O12
• Calculated formula: C8 H20 Cl2 Cu N16 O12
• SMILES: [Cu]12([n]3c([nH]nn3)CCc3[nH]nn[n]23)[n]2nn[nH]c2CCc2[nH]nn[n]12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O
• Title of publication: Cocrystallization of Photosensitive Energetic Copper(II) Perchlorate Complexes with the Nitrogen-rich Ligand 1,2-Di(1H-tetrazol-5-yl)ethane.
• Authors of publication: Evers, Jürgen; Gospodinov, Ivan; Joas, Manuel; Klapötke, Thomas M; Stierstorfer, Jörg
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11749 - 11756
• a: 6.7273 ± 0.0001 Å
• b: 21.9914 ± 0.0004 Å
• c: 15.9205 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2355.32 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No