Information card for entry 7229093

Structure parameters

• Formula: C28 H136 Er10 N14 O82 S16
• Calculated formula: C28 H112 Er10 N14 O82 S16
• Title of publication: A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels
• Authors of publication: Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 15.98 ± 0.0007 Å
• b: 15.98 ± 0.0007 Å
• c: 22.646 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5782.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No