Information card for entry 4070036

Structure parameters

• Formula: C37 H47 Au N3 P
• Calculated formula: C37 H47 Au N3 P
• SMILES: [Au]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)c1n(nnc1c1c2ccccc2ccc1)Cc1ccccc1
• Title of publication: Copper-Catalyzed Huisgen [3 + 2] Cycloaddition of Gold(I) Alkynyls with Benzyl Azide. Syntheses, Structures, and Optical Properties
• Authors of publication: Partyka, David V.; Gao, Lei; Teets, Thomas S.; Updegraff, James B.; Deligonul, Nihal; Gray, Thomas G.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6171
• a: 12.2523 ± 0.0018 Å
• b: 15.205 ± 0.002 Å
• c: 18.003 ± 0.003 Å
• α: 90°
• β: 108.11 ± 0.001°
• γ: 90°
• Cell volume: 3187.7 ± 0.8 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: 0.0415
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No