Information card for entry 4341305

Structure parameters

• Common name: [Cu(BMTE)~2~(H~2~O)~2~](ClO~4~)~2~
• Chemical name: Diaquabis(1,2-bis(1-methyltetrazol-5-yl)ethane)copper(II) perchlorate
• Formula: C12 H24 Cl2 Cu N16 O10
• Calculated formula: C12 H24 Cl2 Cu N16 O10
• 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: 7.6396 ± 0.0003 Å
• b: 15.2017 ± 0.0005 Å
• c: 11.2882 ± 0.0005 Å
• α: 90°
• β: 103.54 ± 0.004°
• γ: 90°
• Cell volume: 1274.52 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No