Information card for entry 4107213

Structure parameters

• Common name: Copper benzenediphosphonateester
• Chemical name: Copper benzene-1,4-diphosphonatodimethylester
• Formula: C8 H10 Cu O8 P2
• Calculated formula: C8 H10 Cu O8 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: 18.8682 ± 0.0006 Å
• b: 7.0236 ± 0.0002 Å
• c: 9.8589 ± 0.0003 Å
• α: 90°
• β: 90.884 ± 0.003°
• γ: 90°
• Cell volume: 1306.37 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No