Information card for entry 7059748

Structure parameters

• Formula: C12 H6 Ce F6 O9
• Calculated formula: C12 H4 Ce F6 O9
• Title of publication: Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds
• Authors of publication: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12317 - 12330
• a: 11.7966 ± 0.0013 Å
• b: 11.3785 ± 0.0011 Å
• c: 11.9288 ± 0.0013 Å
• α: 90°
• β: 106.795 ± 0.002°
• γ: 90°
• Cell volume: 1532.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No