Information card for entry 4505878

Structure parameters

• Formula: C40 H43 Er2 N3 O18
• Calculated formula: C40 H36 Er2 N3 O18
• Title of publication: Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism
• Authors of publication: Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1808
• a: 15.734 ± 0.0005 Å
• b: 10.6914 ± 0.0004 Å
• c: 23.326 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3923.9 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No