Information card for entry 4063738

Structure parameters

• Formula: C12 H9 I N2 Te
• Calculated formula: C12 H9 I N2 Te
• SMILES: [Te]1(I)[N](=Nc2c1cccc2)c1ccccc1
• Title of publication: Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction
• Authors of publication: Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 534
• a: 9.2451 ± 0.0006 Å
• b: 12.6258 ± 0.001 Å
• c: 10.7974 ± 0.0008 Å
• α: 90°
• β: 99.882 ± 0.004°
• γ: 90°
• Cell volume: 1241.65 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0279
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No