Information card for entry 1545705

Structure parameters

• Formula: C9 H8 B F3 N2 O Te
• Calculated formula: C9 H8 B F3 N2 O Te
• SMILES: [Te]1([N](=Cc2c1cccc2)O[B](F)(F)F)[N]#CC
• Title of publication: FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases
• Authors of publication: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio
• Journal of publication: Faraday Discuss.
• Year of publication: 2017
• a: 6.7368 ± 0.0014 Å
• b: 8.2186 ± 0.0016 Å
• c: 11.478 ± 0.002 Å
• α: 109.16 ± 0.03°
• β: 92.23 ± 0.03°
• γ: 106.25 ± 0.03°
• Cell volume: 570.3 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No