Information card for entry 2243708

Structure parameters

• Chemical name: Hexaquaaluminium sulfate nitrate dihydrate
• Formula: Al H16 N O15 S
• Calculated formula: Al H16 N O15 S
• SMILES: [Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].N(=O)(=O)[O-].O.O
• Title of publication: Synthesis and crystal structures of [Al(H~2~O)~6~](SO~4~)NO~3~·2H~2~O and [Al(H~2~O)~6~](SO~4~)Cl·H~2~O
• Authors of publication: Svensson, Fredric G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 1
• Pages of publication: 58 - 61
• a: 6.088 ± 0.004 Å
• b: 7.377 ± 0.005 Å
• c: 13.721 ± 0.009 Å
• α: 77.34 ± 0.006°
• β: 89.561 ± 0.007°
• γ: 82.712 ± 0.007°
• Cell volume: 596.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No