Information card for entry 4084339

Structure parameters

• Common name: tep2aucl
• Formula: C44 H44 Au Cl O2 P2 Te
• Calculated formula: C44 H44 Au Cl O2 P2 Te
• SMILES: [Au]12([Te](c3c([P]1(c1ccccc1)c1ccccc1)cccc3)(c1c([P]2(c2ccccc2)c2ccccc2)cccc1)[O]1CCCC1)Cl.O1CCCC1
• Title of publication: Telluroether to Telluroxide Conversion in the Coordination Sphere of a Metal: Oxidation-Induced Umpolung of a Te‒Au Bond
• Authors of publication: Yang, Haifeng; Lin, Tzu-Pin; Gabba\?ï, François P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4368
• a: 11.456 ± 0.018 Å
• b: 12.677 ± 0.019 Å
• c: 15.14 ± 0.02 Å
• α: 101.99 ± 0.02°
• β: 108.427 ± 0.019°
• γ: 99.194 ± 0.019°
• Cell volume: 1979 ± 5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No