Information card for entry 7213757

Structure parameters

• Formula: C21 H36 F3 O9 P3
• Calculated formula: C21 H36 F3 O9 P3
• SMILES: P(=O)(OCC)(OCC)Cc1c(F)c(CP(=O)(OCC)OCC)c(F)c(CP(=O)(OCC)OCC)c1F
• Title of publication: Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker
• Authors of publication: Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 344
• a: 10.3141 ± 0.0006 Å
• b: 10.5339 ± 0.0006 Å
• c: 15.0122 ± 0.001 Å
• α: 69.566 ± 0.003°
• β: 71.856 ± 0.003°
• γ: 69.669 ± 0.003°
• Cell volume: 1399.25 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1017
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No