Information card for entry 4336471

Structure parameters

• Formula: C8 H22 N2 O18 P4 Zr
• Calculated formula: C8 H22 N2 O18 P4 Zr
• Title of publication: Synthesis, Crystal Structure, and Proton Conductivity of One-Dimensional, Two-Dimensional, and Three-Dimensional Zirconium Phosphonates Based on Glyphosate and Glyphosine
• Authors of publication: Marco Taddei; Anna Donnadio; Ferdinando Costantino; Riccardo Vivani; Mario Casciola
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12131 - 12139
• a: 5.4563 ± 0.0006 Å
• b: 14.9341 ± 0.0012 Å
• c: 13.2821 ± 0.001 Å
• α: 90°
• β: 95.52°
• γ: 90°
• Cell volume: 1077.27 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No