Information card for entry 2011935

Structure parameters

• Formula: C5 H7 O5 Rb
• Calculated formula: C5 H6 O5 Rb
• SMILES: [Rb+].[O-]C(=O)/C=C/CC(=O)O.O
• Title of publication: Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K
• Authors of publication: Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 549 - 552
• a: 10.015 ± 0.005 Å
• b: 9.988 ± 0.004 Å
• c: 4.2432 ± 0.0015 Å
• α: 101.5 ± 0.03°
• β: 104.41 ± 0.03°
• γ: 97.29 ± 0.03°
• Cell volume: 395.8 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.057
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections: 1.567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.59
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No