Information card for entry 7213756

Structure parameters

• Formula: C9 H6 Cl3 F3
• Calculated formula: C9 H6 Cl3 F3
• SMILES: ClCc1c(c(c(c(c1F)CCl)F)CCl)F
• 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: 8.1025 ± 0.0003 Å
• b: 8.7996 ± 0.0003 Å
• c: 14.951 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1065.99 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No