Information card for entry 2312414

Structure parameters

• Common name: Sodium bis(malonato)borate monohydrate
• Chemical name: Poly[aqua[μ~4~-bis(malonato)borato]sodium]
• Formula: C6 H6 B Na O9
• Calculated formula: C6 H6 B Na O9
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of sodium bis-(malonato)borate monohydrate.
• Authors of publication: Selvi, Ramalingam; Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Sundararajan, Raju Sarangapani
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 2
• Pages of publication: 180 - 183
• a: 7.9058 ± 0.0004 Å
• b: 8.2979 ± 0.0005 Å
• c: 14.6473 ± 0.0009 Å
• α: 90°
• β: 101.565 ± 0.002°
• γ: 90°
• Cell volume: 941.38 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No