Information card for entry 7223759

Structure parameters

• Chemical name: Dilithium quinizarin
• Formula: C14 H10 Li2 O6
• Calculated formula: C14 H10 Li2 O6
• SMILES: C1(=O)c2c(ccc(c2C(=O)c2c1cccc2)[O-])[O-].[Li+].O.O.[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: 7.1641 ± 0.0003 Å
• b: 16.1044 ± 0.0009 Å
• c: 10.7351 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1238.55 ± 0.12 ų
• Cell temperature: 121.7 ± 0.9 K
• Ambient diffraction temperature: 121.7 ± 0.9 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0348
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No