Information card for entry 7223230

Structure parameters

• Formula: C4 H3 K O4
• Calculated formula: C4 H3 K O4
• Title of publication: Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
• Authors of publication: Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 6.2401 ± 0.0003 Å
• b: 6.8687 ± 0.0004 Å
• c: 7.4695 ± 0.0004 Å
• α: 68.27 ± 0.001°
• β: 72.836 ± 0.001°
• γ: 63.45 ± 0.001°
• Cell volume: 262.78 ± 0.02 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No