Information card for entry 4335790

Structure parameters

• Formula: C27 H23 Au N3 O P
• Calculated formula: C27 H23 Au N3 O P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(nn[nH]1)c1ccc(cc1)OC
• Title of publication: Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects
• Authors of publication: Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9659 - 9668
• a: 13.9165 ± 0.0005 Å
• b: 13.9165 ± 0.0005 Å
• c: 12.8078 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2480.47 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No