Information card for entry 4303346

Structure parameters

• Formula: C4 H16 Cu2 N8 O12
• Calculated formula: C4 H16 Cu2 N8 O12
• SMILES: C1(=O)O[Cu]2([OH2])([OH2])([n]3c1nnn3[Cu]1([n]3c(nnn23)C(=O)O1)([OH2])([OH2])[OH2])[OH2].O.O
• Title of publication: Tetrazole-5-carboxylic Acid Based Salts of Earth Alkali and Transition Metal Cations
• Authors of publication: Vera Hartdegen; Thomas M. Klapötke; Stefan M. Sproll
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9549 - 9556
• a: 15.5106 ± 0.001 Å
• b: 6.4029 ± 0.0004 Å
• c: 17.7351 ± 0.0012 Å
• α: 90°
• β: 114.494 ± 0.008°
• γ: 90°
• Cell volume: 1602.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No