Information card for entry 4335791

Structure parameters

• Formula: C26 H22 Au N4 P
• Calculated formula: C26 H22 Au N4 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1[nH]nnc1c1cc(ccc1)N
• 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: 13.4001 ± 0.0014 Å
• b: 15.0853 ± 0.0015 Å
• c: 20.853 ± 0.002 Å
• α: 70.291 ± 0.001°
• β: 86.952 ± 0.001°
• γ: 66.516 ± 0.001°
• Cell volume: 3623.5 ± 0.6 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: 0.115
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No