Information card for entry 4511741

Structure parameters

• Formula: C64 H84 Li5 N7 O27
• Calculated formula: C57 H63 Li5 N6 O25
• Title of publication: Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study
• Authors of publication: Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 4355
• a: 16.3128 ± 0.0004 Å
• b: 16.4758 ± 0.0005 Å
• c: 29.1404 ± 0.0008 Å
• α: 90°
• β: 91.924 ± 0.001°
• γ: 90°
• Cell volume: 7827.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.3227
• Weighted residual factors for all reflections included in the refinement: 0.3444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.365
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No