Information card for entry 4000875

Structure parameters

• Common name: Nd(C6H3(CO2)3)
• Formula: C9 H3 Nd O6
• Calculated formula: C9 H3 Nd O6
• 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: 10.452 ± 0.0002 Å
• b: 10.452 ± 0.0002 Å
• c: 13.8486 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1512.88 ± 0.11 ų
• Cell temperature: 453 ± 2 K
• Ambient diffraction temperature: 453 ± 2 K
• Number of distinct elements: 4
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No