Information card for entry 4311808

Structure parameters

• Formula: C11 H31 N3 O Se3 Te
• Calculated formula: C11 H31 N3 O Se3 Te
• SMILES: [Te](=[Se])([Se-])[Se-].[N+](C)(C)(C)C.[N+](C)(C)(C)C.N(C=O)(C)C
• 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: 15.6014 ± 0.001 Å
• b: 11.7941 ± 0.0008 Å
• c: 11.8795 ± 0.0008 Å
• α: 90°
• β: 107.992 ± 0.001°
• γ: 90°
• Cell volume: 2079 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No