Information card for entry 4117902

Structure parameters

• Formula: C4 H F2 K O4
• Calculated formula: C4 H F2 K O4
• SMILES: C(=C(/C(=O)[O-])F)(F)/C(O)=O.[K+]
• Title of publication: Hydrogen-Bond Symmetry in Difluoromaleate Monoanion
• Authors of publication: Charles L. Perrin; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 7766 - 7772
• a: 4.6377 ± 0.0003 Å
• b: 8.0574 ± 0.0006 Å
• c: 15.4299 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 576.58 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No