Information card for entry 7209820

Structure parameters

• Common name: Pyridine, 2,3,4,5,6-pentafluoro-
• Formula: C5 F5 N
• Calculated formula: C5 F5 N
• Title of publication: Charge density studies on 2,3,5,6-tetrafluoro- and pentafluoropyridine
• Authors of publication: Stammler, Hans-Georg; Vishnevskiy, Yury V.; Sicking, Constantin; Mitzel, Norbert W.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 3536
• a: 10.8764 ± 0.0007 Å
• b: 10.2849 ± 0.001 Å
• c: 11.1336 ± 0.0015 Å
• α: 90°
• β: 116.979 ± 0.005°
• γ: 90°
• Cell volume: 1109.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections included in the refinement: 0.0326
• RFsqd: 0.024
• Goodness-of-fit parameter for all reflections included in the refinement: 2.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No