Information card for entry 7231260

Structure parameters

• Formula: C6.47 H7.93 Li0.5 N0.5 O2.47
• Calculated formula: C6.4665 H7.933 Li0.5 N0.5 O2.4665
• Title of publication: Hygroscopicity of lithium coordination polymers and their solid solutions
• Authors of publication: Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 39
• Pages of publication: 5940
• a: 5.4205 ± 0.0007 Å
• b: 10.3464 ± 0.0013 Å
• c: 11.5006 ± 0.0015 Å
• α: 90°
• β: 99.5 ± 0.004°
• γ: 90°
• Cell volume: 636.14 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No