Information card for entry 4068359

Structure parameters

• Formula: C42 H60 Au P
• Calculated formula: C42 H60 Au P
• SMILES: [Au](c1c(cc(cc1C)C)C)[P](c1ccccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C1CCCCC1)C1CCCCC1
• Title of publication: Probing the Steric Limits of Carbon−Gold Bond Formation: (Dialkylbiarylphosphine)gold(I) Aryls
• Authors of publication: Partyka, David V.; Updegraff, James B.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1666
• a: 12.5649 ± 0.0011 Å
• b: 15.9222 ± 0.0014 Å
• c: 19.6846 ± 0.0017 Å
• α: 90°
• β: 107.572 ± 0.002°
• γ: 90°
• Cell volume: 3754.4 ± 0.6 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: 0.029
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No