Information card for entry 7223761

Structure parameters

• Chemical name: 1,4-dihydroxyanthraquinone lithium hydrate
• Formula: C14 H9 Li O5
• Calculated formula: C14 H9 Li O5
• SMILES: O=C1c2c(O)ccc([O-])c2C(=O)c2c1cccc2.[Li+].O
• 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: 3.8011 ± 0.0002 Å
• b: 15.9753 ± 0.0011 Å
• c: 18.0272 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1094.68 ± 0.11 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No