Information card for entry 2014452

Structure parameters

• Common name: Sodium trihydrogen bis(cyclopropane-1,1-dicarboxylate) monohydrate
• Chemical name: Sodium 1-carboxycyclopropane-1-carboxylate cyclopropane-1,1-dicarboxylic acid monohydrate
• Formula: C10 H13 Na O9
• Calculated formula: C10 H13 Na O9
• SMILES: [Na+].OC(=O)C1(CC1)C(=O)O.O=C(O)C1(CC1)C(=O)[O-].O
• Title of publication: Sodium 1-carboxycyclopropane-1-carboxylate cyclopropane-1,1-dicarboxylic acid monohydrate
• Authors of publication: Muir, Kenneth W.; Macdonald, Alistair; Macdonald, Alan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m645 - m647
• a: 5.291 ± 0.0013 Å
• b: 10.118 ± 0.003 Å
• c: 12.895 ± 0.005 Å
• α: 109.44 ± 0.03°
• β: 98.64 ± 0.02°
• γ: 99.57 ± 0.02°
• Cell volume: 626 ± 0.4 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes