Information card for entry 4103242

Structure parameters

• Common name: Zinc 1,3,5-Benzenetriphosphonate tetrahydrate
• Formula: C6 H7 O13 P3 Zn3
• Calculated formula: C6 H3 O13 P3 Zn3
• Title of publication: Facile Proton Conduction via Ordered Water Molecules in a Phosphonate Metal-Organic Framework
• Authors of publication: Jared M. Taylor; Roger K. Mah; Igor L. Moudrakovski; Christopher I. Ratcliffe; Ramanathan Vaidhyanathan; George K. H. Shimizu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14055 - 14057
• a: 22.972 ± 0.005 Å
• b: 8.571 ± 0.0017 Å
• c: 16.148 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3179.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No