Information card for entry 4105867

Structure parameters

• Formula: Al B5 H38 Li2 N6
• Calculated formula: Al B5 H38 Li2 N6
• SMILES: [BH4-].[BH4-].[Li+].[NH3][Al]([NH3])([NH3])([NH3])([NH3])[NH3].[BH4-].[BH4-].[BH4-].[Li+]
• Title of publication: Dehydrogenation Tuning of Ammine Borohydrides Using Double-Metal Cations
• Authors of publication: Yanhui Guo; Hui Wu; Wei Zhou; Xuebin Yu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4690 - 4693
• a: 7.79779 ± 0.00006 Å
• b: 7.79779 Å
• c: 15.96933 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 840.931 ± 0.011 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• RFsqd: 0.0601
• Goodness-of-fit parameter for all reflections: 1.795
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.2372 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No