Information card for entry 4085681

Structure parameters

• Formula: C7 H14 B Na O8
• Calculated formula: C7 H14 B Na O8
• SMILES: [BH](OC=O)(OC=O)OC=O.[Na]1[O](C)CC[O]1C
• Title of publication: Revisiting CO2Reduction with NaBH4under Aprotic Conditions: Synthesis and Characterization of Sodium Triformatoborohydride
• Authors of publication: Knopf, Ioana; Cummins, Christopher C.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1601 - 1603
• a: 6.6216 ± 0.0002 Å
• b: 17.5254 ± 0.0006 Å
• c: 10.6602 ± 0.0004 Å
• α: 90°
• β: 95.494 ± 0.001°
• γ: 90°
• Cell volume: 1231.39 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No