Information card for entry 7219710

Structure parameters

• Formula: C28 H69 O16 P Ti4
• Calculated formula: C28 H69 O16 P Ti4
• Title of publication: Molecular Insight into the Mode-of-action of Phosphonate Monolayers as Active Functions of Hybrid Metal Oxide Adsorbents. Case study in Sequestration of Rare Earth Elements
• Authors of publication: Seisenbaeva, Gulaim A.; Melnyk, Inna V.; Hedin, Niklas; Chen, Yang; Eriksson, Philip; Trzop, Elzbieta; Zub, Yuriy L.; Kessler, Vadim G.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.7705 ± 0.0012 Å
• b: 11.6006 ± 0.0012 Å
• c: 20.017 ± 0.002 Å
• α: 80.035 ± 0.004°
• β: 89.067 ± 0.005°
• γ: 63.258 ± 0.004°
• Cell volume: 2194.4 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No