Information card for entry 4070035

Structure parameters

• Formula: C39 H49 Au N3 P
• Calculated formula: C39 H49 Au N3 P
• SMILES: [Au]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)c1n(nnc1c1ccc(c2ccccc2)cc1)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: 10.7229 ± 0.001 Å
• b: 11.956 ± 0.0011 Å
• c: 15.4679 ± 0.0014 Å
• α: 92.985 ± 0.001°
• β: 108.423 ± 0.001°
• γ: 113.359 ± 0.001°
• Cell volume: 1691 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No