Information card for entry 4311810

Structure parameters

• Formula: C48 H40 P2 Se10 Te
• Calculated formula: C48 H40 P2 Se10 Te
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Se]1[Se][Se][Se][Se][Te]21[Se][Se][Se][Se][Se]2.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.8811 ± 0.0012 Å
• b: 14.0423 ± 0.0016 Å
• c: 18.57 ± 0.002 Å
• α: 90°
• β: 103.052 ± 0.002°
• γ: 90°
• Cell volume: 2510.1 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No