Information card for entry 4516500

Structure parameters

• Formula: C6 H4 Li2 O4
• Calculated formula: C6 H4 Li2 O4
• SMILES: C(=O)(/C=C/C=C/C(=O)[O-])[O-].[Li+].[Li+]
• 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: 7.763 ± 0.001 Å
• b: 5.0161 ± 0.0006 Å
• c: 8.7526 ± 0.0011 Å
• α: 90°
• β: 115.232 ± 0.003°
• γ: 90°
• Cell volume: 308.31 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No