Information card for entry 4000874

Structure parameters

• Common name: Nd(C6H3(CO2)3)(H2O)
• Formula: C9 H3 Nd O7
• Calculated formula: C9 H3 Nd O7
• Title of publication: A Family of Highly Stable Lanthanide Metal−Organic Frameworks: Structural Evolution and Catalytic Activity
• Authors of publication: Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Martín-Matute, Belén; Sun, Junliang; Grins, Jekabs; Zhao, Tony; Li, Zhongyue; Zhu, Guangshan; Zou, Xiaodong
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 11
• Pages of publication: 3316
• a: 10.4278 ± 0.0004 Å
• b: 10.4278 ± 0.0004 Å
• c: 14.2602 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1550.64 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No