Information card for entry 7018712

Structure parameters

• Formula: C21 H20.5 N3 Nd O11.25
• Calculated formula: C21 H20 N3 Nd O11.25
• Title of publication: Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.
• Authors of publication: Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 4772 - 4779
• a: 23.649 ± 0.0011 Å
• b: 15.7654 ± 0.0008 Å
• c: 16.2182 ± 0.0008 Å
• α: 90°
• β: 124.272 ± 0.001°
• γ: 90°
• Cell volume: 4996.9 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No