Information card for entry 4516501

Structure parameters

• Formula: C6 H4 K2 O4
• Calculated formula: C6 H4 K2 O4
• SMILES: C(=O)(/C=C/C=C/C(=O)[O-])[O-].[K+].[K+]
• Title of publication: Solid State Packing and Photoreactivity of Alkali Metal Salts oftrans,trans-Muconate
• Authors of publication: Kole, Goutam Kumar; Chanthapally, Anjana; Tan, Geok Kheng; Vittal, Jagadese J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5555
• a: 10.765 ± 0.002 Å
• b: 3.9739 ± 0.0007 Å
• c: 11.261 ± 0.002 Å
• α: 90°
• β: 117.978 ± 0.002°
• γ: 90°
• Cell volume: 425.43 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No