Information card for entry 4069948

Structure parameters

• Formula: C34 H42 Au P
• Calculated formula: C34 H42 Au P
• SMILES: [Au](c1cc2c3c4c(cc2)cccc4ccc3c1)[P](C1CCCCC1)(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: 25.024 ± 0.005 Å
• b: 13.595 ± 0.0019 Å
• c: 17.044 ± 0.002 Å
• α: 90°
• β: 101.493 ± 0.002°
• γ: 90°
• Cell volume: 5682.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No