Information card for entry 4511738

Structure parameters

• Formula: C10 H4 Li2 O8
• Calculated formula: C10 H4 Li2 O8
• SMILES: C(=O)(O)c1cc(c(C(=O)O)cc1C(=O)[O-])C(=O)[O-].[Li+].[Li+]
• Title of publication: Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study
• Authors of publication: Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 4355
• a: 5.0422 ± 0.0003 Å
• b: 7.1471 ± 0.0005 Å
• c: 7.2031 ± 0.0005 Å
• α: 83.237 ± 0.002°
• β: 76.586 ± 0.002°
• γ: 81.731 ± 0.002°
• Cell volume: 248.91 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No