Information card for entry 7206827

Structure parameters

• Formula: C96 H122 La2 N6 O22 S6
• Calculated formula: C93 H111 La2 N5 O20 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: 12.668 ± 0.002 Å
• b: 14.585 ± 0.003 Å
• c: 17.323 ± 0.003 Å
• α: 113.754 ± 0.002°
• β: 109.044 ± 0.002°
• γ: 90.263 ± 0.002°
• Cell volume: 2734.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No