Information card for entry 7004250

Structure parameters

• Formula: B6 H36 Li2 N10
• Calculated formula: B6 H36 Li2 N10
• SMILES: [BH]123[BH]45[BH]67[BH]1([BH]246)[BH]357.[Li]([NH3])([NH3])([NH3])[NH3].[Li]([NH3])([NH3])([NH3])[NH3].N.N
• Title of publication: Multi-centre, hydrogen and dihydrogen bonds in lithium closo-hydroborate obtained from liquid ammonia
• Authors of publication: Panda, Monalisa; Hofmann, Kathrin; Prosenc, Marc H.; Albert, Barbara
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 30
• Pages of publication: 3956 - 3958
• a: 7.483 ± 0.001 Å
• b: 11.871 ± 0.002 Å
• c: 10.605 ± 0.002 Å
• α: 90°
• β: 95.371 ± 0.003°
• γ: 90°
• Cell volume: 937.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1431
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No