Information card for entry 4107214

Structure parameters

• Common name: Copper benzenediphosphonateester
• Chemical name: Copper benzene-1,4-diphosphonatodiethylester
• Formula: C10 H14 Cu O6 P2
• Calculated formula: C10 H14 Cu O6 P2
• Title of publication: Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks
• Authors of publication: Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; Isaac Martens; George K. H. Shimizu; Thomas D. Daff; Mohammad Zein Aghaji; Saeid Yeganegi; Tom K. Woo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 20048 - 20051
• a: 18.566 ± 0.002 Å
• b: 7.7903 ± 0.0006 Å
• c: 9.7596 ± 0.0012 Å
• α: 90°
• β: 90.748 ± 0.004°
• γ: 90°
• Cell volume: 1411.5 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No