Information card for entry 7223756

Structure parameters

• Formula: C16 H7 Li O6
• Calculated formula: C16 H7 Li O6
• SMILES: O=C1c2c(C(=O)c3c1cccc3)cc(C(=O)O)c(C(=O)[O-])c2.[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: 8.1681 ± 0.0004 Å
• b: 10.6558 ± 0.0005 Å
• c: 14.7002 ± 0.0007 Å
• α: 90°
• β: 101.68 ± 0.005°
• γ: 90°
• Cell volume: 1252.98 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0403
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No