Information card for entry 7043164

Structure parameters

• Common name: Tetraammine Disodium Dodecahydro-closo-dodecaborate
• Chemical name: Tetraammine Disodium Dodecahydro-closo-dodecaborate
• Formula: B12 H24 N4 Na2
• Calculated formula: B12 H24 N4 Na2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]12%14[BH]9%12%15[BH]47%101)[BH]136[BH]58%11[BH]%13%16%171.N.N.[Na+].N.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: 8.6875 ± 0.0002 Å
• b: 9.4168 ± 0.0003 Å
• c: 9.9096 ± 0.0003 Å
• α: 90°
• β: 98.3296 ± 0.0018°
• γ: 90°
• Cell volume: 802.14 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• 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: 15.7765
• Goodness-of-fit parameter for all reflections: 13.5
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.775 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No