Information card for entry 4072498

Structure parameters

• Formula: C27 H23 Au N3 P
• Calculated formula: C27 H23 Au N3 P
• SMILES: [Au](c1c(c2ccc(cc2)C)[nH]nn1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Carbon−Gold Bond Formation through [3 + 2] Cycloaddition Reactions of Gold(I) Azides and Terminal Alkynes
• Authors of publication: Partyka, David V.; Updegraff, James B.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 183
• a: 13.7355 ± 0.0005 Å
• b: 13.7355 ± 0.0005 Å
• c: 12.5315 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2364.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No