Information card for entry 7223757

Structure parameters

• Chemical name: Dilithium 1,5-dihydroxyanthraquinone
• Formula: C14 H10 Li2 O6
• Calculated formula: C14 H10 Li2 O6
• SMILES: C1(=O)c2c([O-])cccc2C(=O)c2c(cccc12)[O-].O.O.[Li+].[Li+]
• Title of publication: Coordination environments and π-conjugation in dense lithium coordination polymers
• Authors of publication: Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 398
• a: 8.0703 ± 0.0003 Å
• b: 5.1497 ± 0.0002 Å
• c: 14.7759 ± 0.0005 Å
• α: 90°
• β: 95.073 ± 0.003°
• γ: 90°
• Cell volume: 611.68 ± 0.04 ų
• Cell temperature: 121 ± 2 K
• Ambient diffraction temperature: 121 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No