Information card for entry 4316586

Structure parameters

• Formula: C44 H34 Au2 O P2 S3
• Calculated formula: C44 H34 Au2 O P2 S3
• SMILES: c1cc2c(c3ccc(c4c(ccs4)C#C[Au][P](C[P](c5ccccc5)(c5ccccc5)[Au]C#C2)(c2ccccc2)c2ccccc2)s3)s1.CC(=O)C
• 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: 12.3125 ± 0.0004 Å
• b: 12.9082 ± 0.0004 Å
• c: 24.6631 ± 0.0009 Å
• α: 90°
• β: 93.101 ± 0.002°
• γ: 90°
• Cell volume: 3914 ± 0.2 ų
• Cell temperature: 103 ± 0.1 K
• Ambient diffraction temperature: 103 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No