Information card for entry 7060196

Structure parameters

• Chemical name: poly[m~2~-aqua-(m~3~-methoxy-tricyanoborato-k^3^N:N':N'')sodium(I)]
• Formula: C4 H5 B N3 Na O2
• Calculated formula: C4 H5 B N3 Na O2
• 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: 6.2298 ± 0.0003 Å
• b: 8.0256 ± 0.0004 Å
• c: 8.9101 ± 0.0004 Å
• α: 105.478 ± 0.004°
• β: 101.298 ± 0.004°
• γ: 97.248 ± 0.004°
• Cell volume: 413.44 ± 0.04 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 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: 0.0357
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No