Information card for entry 4316584

Structure parameters

• Formula: C52 H36 Au2 P2 S3
• Calculated formula: C52 H36 Au2 P2 S3
• SMILES: c1cc(c(c2ccc(c3c(ccs3)C#C[Au][P](c3ccccc3)(c3ccccc3)c3ccccc3)s2)s1)C#C[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Photophysical Properties and Electropolymerization of Gold Complexes of 3,3''-Diethynyl-2,2':5',2''-terthiophene
• Authors of publication: Angela M. Kuchison; Michael O. Wolf; Brian O. Patrick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8802 - 8812
• a: 14.6679 ± 0.0015 Å
• b: 22.881 ± 0.002 Å
• c: 14.2426 ± 0.0015 Å
• α: 90°
• β: 96.333 ± 0.005°
• γ: 90°
• Cell volume: 4750.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No