Information card for entry 2229172

Structure parameters

• Chemical name: Poly[μ-(1,3-dihydroxypropan-2-olato)-potassium]
• Formula: C3 H7 K O3
• Calculated formula: C3 H7 K O3
• SMILES: C(C([O-])CO)O.[K+]
• Title of publication: Poly[μ-(1,3-dihydroxypropan-2-olato)-potassium]
• Authors of publication: Schatte, Gabriele; Shen, Jianheng; Reaney, Martin; Sammynaiken, Ramaswami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m141 - m142
• a: 7.5514 ± 0.0004 Å
• b: 7.2632 ± 0.0004 Å
• c: 9.0675 ± 0.0005 Å
• α: 90°
• β: 93.422 ± 0.002°
• γ: 90°
• Cell volume: 496.44 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes