Information card for entry 4069946

Structure parameters

• Formula: C46 H36 Au2 P2
• Calculated formula: C46 H36 Au2 P2
• SMILES: c1(ccccc1)[P]([Au]c1ccc2c(c1)ccc([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)c2)(c1ccccc1)c1ccccc1
• Title of publication: Mono- and Di-Gold(I) Naphthalenes and Pyrenes: Syntheses, Crystal Structures, and Photophysics
• Authors of publication: Gao, Lei; Peay, Miya A.; Partyka, David V.; Updegraff, James B.; Teets, Thomas S.; Esswein, Arthur J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5669
• a: 7.9096 ± 0.0016 Å
• b: 12.458 ± 0.003 Å
• c: 18.519 ± 0.004 Å
• α: 90°
• β: 101.521 ± 0.002°
• γ: 90°
• Cell volume: 1788.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No