Information card for entry 4335788

Structure parameters

• Formula: C25 H27 Au N3 P
• Calculated formula: C25 H27 Au N3 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1[nH]nnc1CCCCC
• 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: 12.7141 ± 0.0003 Å
• b: 12.5924 ± 0.0003 Å
• c: 14.5253 ± 0.0003 Å
• α: 90°
• β: 97.465 ± 0.001°
• γ: 90°
• Cell volume: 2305.81 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.0341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No