Information card for entry 7008038

Structure parameters

• Chemical name: Compound 3b
• Formula: C48 H32 Au2 P2 S3
• Calculated formula: C48 H32 Au2 P2 S3
• SMILES: [Au](C#Cc1cc2c(s1)c1c(s2)cc(s1)C#C[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Luminescent digold ethynyl thienothiophene and dithienothiophene complexes; their synthesis and structural characterisation.
• Authors of publication: Li, Peiyi; Ahrens, Birte; Feeder, Neil; Raithby, Paul R.; Teat, Simon J.; Khan, Muhammad S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 5
• Pages of publication: 874 - 883
• a: 8.95 ± 0.0002 Å
• b: 12.82 ± 0.0002 Å
• c: 18.655 ± 0.0004 Å
• α: 73.76 ± 0.001°
• β: 84.726 ± 0.001°
• γ: 85.198 ± 0.0012°
• Cell volume: 2042.58 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No