Information card for entry 7059746

Structure parameters

• Formula: C12 H6 F6 Nd O9
• Calculated formula: C12 H4 F6 Nd 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: 11.7314 ± 0.0004 Å
• b: 11.3436 ± 0.0004 Å
• c: 11.936 ± 0.0006 Å
• α: 90°
• β: 107.15 ± 0.007°
• γ: 90°
• Cell volume: 1517.77 ± 0.12 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: 0.0156
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.0397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No