Information card for entry 1100113

Structure parameters

• Chemical name: bis(Hexane-1,6-diammonium) hexa-fluoro-aluminium(iii) fluoride monohydrate
• Formula: C12 H38 Al F7 N4 O
• Calculated formula: C18 H56 Al F13 N6 O
• Title of publication: Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In)
• Authors of publication: Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V.
• Journal of publication: Journal of Fluorine Chemistry
• Year of publication: 2001
• Journal volume: 110
• Journal issue: 2
• Pages of publication: 133 - 138
• a: 6.3004 ± 0.0018 Å
• b: 12.691 ± 0.002 Å
• c: 12.7423 ± 0.0014 Å
• α: 90.966 ± 0.014°
• β: 90.515 ± 0.012°
• γ: 94.351 ± 0.019°
• Cell volume: 1015.72 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0449
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No