Information card for entry 4031462

Structure parameters

• Chemical name: (Na ((N H3) B H2 (C N))6) I
• Formula: C6 H30 B6 I N12 Na
• Calculated formula: C6 H30 B6 I N12 Na
• SMILES: [BH2]([NH3])C#N.[Na+].N#C[BH2][NH3].N#C[BH2][NH3].N#C[BH2][NH3].N#C[BH2][NH3].[I-].[BH2](C#N)[NH3]
• Title of publication: Synthesis and crystal structure of hexakis(ammonia-cyanoborane) sodium iodide
• Authors of publication: Hargrave, K.D.; Wisian-Neilson, P.; McPhail, A.T.; Spielvogel, B.F.
• Journal of publication: Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)
• Year of publication: 1977
• Journal volume: 1977
• Pages of publication: 2150 - 2153
• a: 8.506 Å
• b: 8.506 Å
• c: 8.506 Å
• α: 82.54°
• β: 82.54°
• γ: 82.54°
• Cell volume: 601.044 ų
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No