Information card for entry 1559474

Structure parameters

• Common name: Monoammine_barium_borohydride
• Formula: B2 Ba H11 N
• Calculated formula: B2 Ba H11 N
• SMILES: [BH4-].[BH4-].[Ba+2].N
• Title of publication: Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides
• Authors of publication: Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R.
• Journal of publication: Inorganics
• Year of publication: 2020
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 57
• a: 5.08626 ± 0.00008 Å
• b: 9.37609 ± 0.00016 Å
• c: 12.9631 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 618.2 ± 0.017 ų
• Cell temperature: 368 K
• Ambient diffraction temperature: 368 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor R(I) for significantly intense reflections: 3.0385
• Goodness-of-fit parameter for all reflections: 1528.14
• Method of determination: powder diffraction
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No