Information card for entry 2017082

Structure parameters

• Chemical name: Poly[[μ-trihydro(isopropoxy)borato]sodium(I)]
• Formula: C3 H10 B Na O
• Calculated formula: C3 H10 B Na O
• SMILES: [Na+].O(C(C)C)[BH3]
• Title of publication: The first example of a mixed alkoxide hydride of boron: sodium boron isopropoxide trihydride
• Authors of publication: Gainsford, Graeme J.; Kemmitt, Tim; Jameson, Geoffrey B.; Telfer, Shane G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m180 - m181
• a: 5.5071 ± 0.0011 Å
• b: 11.094 ± 0.002 Å
• c: 19.438 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1187.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes