Information card for entry 4306523

Structure parameters

• Chemical name: Lithium dodecahydrododecaborate
• Formula: B12 H12 Li2
• Calculated formula: B12 H12 Li2
• SMILES: [BH]1234[BH]567[BH]892[BH]2%101[BH]1%118[BH]8%12%13[BH]591[BH]168[BH]547[BH]43%10[BH]2%11%12[BH]%13154.[Li+].[Li+]
• Title of publication: Crystal Structure of Li2B12H12: a Possible Intermediate Species in the Decomposition of LiBH4
• Authors of publication: Jae-Hyuk Her; Muhammed Yousufuddin; Wei Zhou; Satish S. Jalisatgi; James G. Kulleck; Jason A. Zan; Son-Jong Hwang; Robert C. Bowman; Terrence J. Udovic
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9757 - 9759
• a: 9.57713 ± 0.00021 Å
• b: 9.57713 ± 0.00021 Å
• c: 9.57713 ± 0.00021 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 878.43 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor R(I) for significantly intense reflections: 0.013
• Goodness-of-fit parameter for all reflections: 1.244
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No