Information card for entry 7237131

Structure parameters

• Common name: bis(ditetrazolylpropanyl) copper(II) perchlorate dihydrate
• Chemical name: bis(ditetrazolylpropanyl) copper(II) perchlorate dihydrate
• Formula: C10 H20 Cl2 Cu N16 O10
• Calculated formula: C10 H20 Cl2 Cu N16 O10
• Title of publication: Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles
• Authors of publication: Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 6565
• a: 8.4824 ± 0.0004 Å
• b: 14.4398 ± 0.0005 Å
• c: 10.7195 ± 0.0005 Å
• α: 90°
• β: 109.217 ± 0.005°
• γ: 90°
• Cell volume: 1239.81 ± 0.1 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No