Information card for entry 4103621

Structure parameters

• Common name: 4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole pyridine solvate
• Chemical name: 4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole pyridine solvate
• Formula: C11 H5 F4 N3 Te
• Calculated formula: C11 H5 F4 N3 Te
• SMILES: [Te]1N=c2c(c(c(c(c2=N1)F)F)F)F.n1ccccc1
• Title of publication: Supramolecular Chromotropism of the Crystalline Phases of 4,5,6,7-Tetrafluorobenzo-2,1,3-telluradiazole
• Authors of publication: Anthony F. Cozzolino; Pamela S. Whitfield; Ignacio Vargas-Baca
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17265 - 17270
• a: 5.423 ± 0.002 Å
• b: 10.807 ± 0.004 Å
• c: 20.081 ± 0.007 Å
• α: 90°
• β: 92.644 ± 0.008°
• γ: 90°
• Cell volume: 1175.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No