Information card for entry 4504781

Structure parameters

• Formula: C7 H17 Ca O13 P
• Calculated formula: C7 H17 Ca O13 P
• Title of publication: Phosphonopolycarboxylates as Chemical Additives for Calcite Scale Dissolution and Metallic Corrosion Inhibition Based on a Calcium-Phosphonotricarboxylate Organic−Inorganic Hybrid
• Authors of publication: Demadis, Konstantinos D.; Lykoudis, Panagiotis; Raptis, Raphael G.; Mezei, Gellert
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 1064
• a: 7.2603 ± 0.0013 Å
• b: 10.3523 ± 0.0018 Å
• c: 18.692 ± 0.003 Å
• α: 90°
• β: 94.087 ± 0.003°
• γ: 90°
• Cell volume: 1401.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No