Information card for entry 4103620

Structure parameters

• Common name: 4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole
• Chemical name: 4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole
• Formula: C6 F4 N2 Te
• Calculated formula: C6 F4 N2 Te
• SMILES: c12=N[Te]N=c2c(c(c(c1F)F)F)F
• 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: 7.972 ± 0.002 Å
• b: 7.973 ± 0.002 Å
• c: 22.773 ± 0.006 Å
• α: 85.259 ± 0.005°
• β: 85.096 ± 0.005°
• γ: 89.96 ± 0.005°
• Cell volume: 1437.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1512
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No