Information card for entry 7109413

Structure parameters

• Formula: C53 H63 Au N5 O3
• Calculated formula: C53 H63 Au N5 O3
• Title of publication: Gold(I) triazolyls: organometallic synthesis in air and aqueous media
• Authors of publication: James E. Heckler; Nihal Deligonul; Arnold L. Rheingold; Thomas G. Gray
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5990
• a: 18.156 ± 0.002 Å
• b: 14.8551 ± 0.0016 Å
• c: 20.079 ± 0.002 Å
• α: 90°
• β: 116.059 ± 0.001°
• γ: 90°
• Cell volume: 4865 ± 0.9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No