Information card for entry 4313476

Structure parameters

• Formula: C34 H28 Au2 Cl6 P2 S2
• Calculated formula: C34 H28 Au2 Cl6 P2 S2
• SMILES: s1c(c(cc1)[P]([Au]Cl)(c1ccccc1)c1ccccc1)c1sccc1[P]([Au]Cl)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Model Complexes for Metallated Polythiophenes: Gold(I) and Palladium(II) Complexes of Bis(diphenylphosphino)oligothiophenes
• Authors of publication: Olivier Clot; Yumi Akahori; Carolyn Moorlag; Daniel B. Leznoff; Michael O. Wolf; Raymond J. Batchelor; Brian O. Patrick; Mikita Ishii
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2704 - 2713
• a: 13.1073 ± 0.0009 Å
• b: 17.672 ± 0.001 Å
• c: 17.192 ± 0.001 Å
• α: 90°
• β: 99.759 ± 0.004°
• γ: 90°
• Cell volume: 3924.6 ± 0.4 ų
• Cell temperature: 198.2 K
• Ambient diffraction temperature: 198.2 K
• Number of distinct elements: 6
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections: 1.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No