Information card for entry 7060198

Structure parameters

• Formula: C5 H5 B N3 Na O
• Calculated formula: C5 H5 B N3 Na O
• Title of publication: Alkoxycyanoborates: metal salts and low-viscosity ionic liquids
• Authors of publication: Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 33
• Pages of publication: 14973 - 14987
• a: 7.3884 ± 0.0002 Å
• b: 7.7824 ± 0.0002 Å
• c: 8.0923 ± 0.0001 Å
• α: 82.094 ± 0.002°
• β: 71.472 ± 0.002°
• γ: 63.968 ± 0.002°
• Cell volume: 396.426 ± 0.018 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No