Information card for entry 7244300

Structure parameters

• Formula: C12 H10 F6 O11 Sc
• Calculated formula: C12 H10 F6 O11 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: 4.79757 ± 0.00017 Å
• b: 10.087 ± 0.0004 Å
• c: 18.1374 ± 0.0007 Å
• α: 80.387 ± 0.003°
• β: 84.542 ± 0.003°
• γ: 88.51 ± 0.003°
• Cell volume: 861.43 ± 0.06 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: 0.0432
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No