Information card for entry 4504522

Structure parameters

• Common name: 3,6-Dibromo-1,2,7-Benzotelluradiazole
• Chemical name: 3,6-Dibromo-1,2,7-Benzotelluradiazole
• Formula: C6 H2 Br2 N2 Te
• Calculated formula: C6 H2 Br2 N2 Te
• SMILES: c12=N[Te]N=c2c(ccc1Br)Br
• Title of publication: The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions
• Authors of publication: Cozzolino, Anthony F.; Britten, James F.; Vargas-Baca, Ignacio
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 181
• a: 3.9476 ± 0.0009 Å
• b: 19.707 ± 0.004 Å
• c: 10.501 ± 0.002 Å
• α: 90°
• β: 100.755 ± 0.007°
• γ: 90°
• Cell volume: 802.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No