Information card for entry 4311809

Structure parameters

• Formula: C16 H40 N2 Se3 Te
• Calculated formula: C16 H40 N2 Se3 Te
• SMILES: [Te](=[Se])([Se-])[Se-].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Syntheses and Characterization of Some Mixed Te/Se Polychalcogenide Anions [TemSen]2-
• Authors of publication: Perumal Sekar; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5436 - 5441
• a: 8.5056 ± 0.0007 Å
• b: 13.4674 ± 0.0011 Å
• c: 20.889 ± 0.0017 Å
• α: 90°
• β: 97.097 ± 0.001°
• γ: 90°
• Cell volume: 2374.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No