Information card for entry 7223762

Structure parameters

• Chemical name: 1,4-dihydroxyanthraquinone lithium hydrate
• Formula: C14 H7.5 Li O4.25
• Calculated formula: C14 H7.4 Li O4.2
• 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: 3.6746 ± 0.0002 Å
• b: 16.1112 ± 0.0011 Å
• c: 18.1111 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1072.22 ± 0.13 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.1969
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No