Information card for entry 4001238

Structure parameters

• Formula: C2 H7 Ba O8 P
• Calculated formula: C2 H7 Ba O8 P
• Title of publication: Corrugated, Sheet-Like Architectures in Layered Alkaline-Earth MetalR,S-Hydroxyphosphonoacetate Frameworks: Applications for Anticorrosion Protection of Metal Surfaces
• Authors of publication: Demadis, Konstantinos D.; Papadaki, Maria; Raptis, Raphael G.; Zhao, Hong
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 4835
• a: 6.427 ± 0.006 Å
• b: 11.786 ± 0.015 Å
• c: 10.615 ± 0.013 Å
• α: 90°
• β: 91.47 ± 0.1°
• γ: 90°
• Cell volume: 803.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.029
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No