Information card for entry 4316585

Structure parameters

• Formula: C50 H78 Au2 N4 S3
• Calculated formula: C50 H78 Au2 N4 S3
• 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: 19.4758 ± 0.0014 Å
• b: 13.186 ± 0.0009 Å
• c: 20.7761 ± 0.0013 Å
• α: 90°
• β: 101.691 ± 0.003°
• γ: 90°
• Cell volume: 5224.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No