Information card for entry 7244299

Structure parameters

• Formula: C12 H4 F6 O8 Sc
• Calculated formula: C12 H4 F6 O8 Sc
• Title of publication: Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand
• Authors of publication: Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 4.9401 ± 0.001 Å
• b: 15.61 ± 0.003 Å
• c: 18.58 ± 0.004 Å
• α: 90°
• β: 95.47 ± 0.03°
• γ: 90°
• Cell volume: 1426.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0843
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.9626 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No