Information card for entry 7105776

Structure parameters

• Formula: C24 H20 Au N3
• Calculated formula: C24 H20 Au N3
• SMILES: c1ccccc1C1C(N(Cc2ccccc2)N=N=1C)=[Au]C#Cc1ccccc1
• Title of publication: Gold(I) âClickâ 1,2,3-triazolylidenes: Synthesis, Self-Assembly and Catalysis.
• Authors of publication: Kelly Kilpin; Ursula Paul; Ai-Lan Lee; James Crowley
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 328
• a: 14.9399 ± 0.0015 Å
• b: 19.6839 ± 0.0017 Å
• c: 6.9061 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2030.9 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No