Information card for entry 1516434

Structure parameters

• Chemical name: Disodium dodecahydro-closo-dodecaborate
• Formula: B12 H12 Na2
• Calculated formula: B12 H12 Na2
• SMILES: [Na+].[Na+].[BH]1234[BH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]%15%16%17[BH]25([BH]23%15[BH]%10%13%16[BH]49%112)[BH]7%14%17[BH]681%12
• Title of publication: Role of Cation Size on the Structural Behavior of the Alkali-Metal Dodecahydro-closo-Dodecaborates
• Authors of publication: Her, Jae-Hyuk; Zhou, Wei; Stavila, Vitalie; Brown, Craig M.; Udovic, Terrence J.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 26
• Pages of publication: 11187
• a: 7.03062 ± 0.00028 Å
• b: 10.65399 ± 0.00043 Å
• c: 7.0093 ± 0.00047 Å
• α: 90°
• β: 94.6759 ± 0.0038°
• γ: 90°
• Cell volume: 523.28 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor R(I) for significantly intense reflections: 0.01
• Goodness-of-fit parameter for all reflections: 1.126
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No