Information card for entry 7043163

Structure parameters

• Common name: Diammine Disodium Dodecahydro-closo-dodecaborate
• Chemical name: Diammine Disodium Dodecahydro-closo-dodecaborate
• Formula: B12 H18 N2 Na2
• Calculated formula: B12 H18 N2 Na2
• SMILES: [BH]1234[BH]567[BH]891[BH]1%102[BH]2%118[BH]8%12%13[BH]%14%15%16[BH]58([BH]46%16[BH]31%14[BH]%102%12%15)[BH]79%11%13.N.[Na+].N.[Na+]
• Title of publication: Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca)
• Authors of publication: Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.16723 ± 0.00011 Å
• b: 7.16723 ± 0.00011 Å
• c: 7.15737 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 318.41 ± 0.011 ų
• Cell temperature: 393 K
• Ambient diffraction temperature: 393 K
• Number of distinct elements: 4
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor R(I) for significantly intense reflections: 13.0338
• Goodness-of-fit parameter for all reflections: 1.85
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.775 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No