Information card for entry 7113847

Structure parameters

• Formula: C48 H40 Au2 P2 Se4 Te2
• Calculated formula: C48 H40 Au2 P2 Se4 Te2
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Au]1[Se][Te][Se][Au][Se][Te][Se]1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: [TeSe~3~]^2-^ and [TeSe~2~]^2^ as synthons
• Authors of publication: Dibrov, Sergey M.; Ibers, James A.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2158 - 2159
• a: 9.8089 ± 0.0005 Å
• b: 13.6406 ± 0.0007 Å
• c: 17.5009 ± 0.001 Å
• α: 90°
• β: 97.751 ± 0.001°
• γ: 90°
• Cell volume: 2320.2 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103891
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No