Information card for entry 7106212

Structure parameters

• Common name: Zinc-1,4-benzenediphosphonatodiethylester
• Chemical name: Zinc-1,4-benzenediphosphonatodiethylester
• Formula: C11 H16 O6 P2 Zn
• Calculated formula: C11 H16 O6 P2 Zn
• Title of publication: A permanently porous van der Waals solid by using phosphonate monoester linkers in a metal organic framework.
• Authors of publication: Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; George K. H. Shimizu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4430
• a: 15.729 ± 0.003 Å
• b: 23.17 ± 0.005 Å
• c: 9.7372 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3548.6 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No