Information card for entry 7008037

Structure parameters

• Chemical name: Compound 3a
• Formula: C46 H32 Au2 P2 S2
• Calculated formula: C46 H32 Au2 P2 S2
• SMILES: [Au](C#Cc1cc2c(s1)cc(s2)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: 7.1766 ± 0.0017 Å
• b: 15.917 ± 0.004 Å
• c: 17.041 ± 0.004 Å
• α: 90°
• β: 92.13 ± 0.02°
• γ: 90°
• Cell volume: 1945.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.6887 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No