Information card for entry 7206826

Structure parameters

• Formula: C78 H84 La2 O17 S6
• Calculated formula: C78 H80 La2 O17 S6
• Title of publication: Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks
• Authors of publication: Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6968
• a: 9.8233 ± 0.0005 Å
• b: 13.2039 ± 0.0007 Å
• c: 15.9391 ± 0.0008 Å
• α: 113.863 ± 0.001°
• β: 96.308 ± 0.001°
• γ: 92.677 ± 0.001°
• Cell volume: 1869.74 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No