Information card for entry 4072495

Structure parameters

• Formula: C26 H21 Au N3 P
• Calculated formula: C26 H21 Au N3 P
• SMILES: [Au](c1c(c2ccccc2)nn[nH]1)[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: 14.797 ± 0.004 Å
• b: 22.555 ± 0.007 Å
• c: 17.371 ± 0.005 Å
• α: 90°
• β: 109.84 ± 0.005°
• γ: 90°
• Cell volume: 5453 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No