Information card for entry 4064775

Structure parameters

• Formula: C44 H34 Au2 P2 S2
• Calculated formula: C44 H34 Au2 P2 S2
• SMILES: c1(sc(cc1)c1ccc(s1)[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Red-Shifts upon Metal Binding: A Di-Gold(I)-Substituted Bithiophene
• Authors of publication: Peay, Miya A.; Heckler, James E.; Deligonul, Nihal; Gray, Thomas G.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 5071
• a: 17.453 ± 0.003 Å
• b: 13.06 ± 0.003 Å
• c: 16.282 ± 0.003 Å
• α: 90°
• β: 95.362 ± 0.003°
• γ: 90°
• Cell volume: 3695 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No