Information card for entry 4335792

Structure parameters

• Formula: C27 H41 Au N3 O P
• Calculated formula: C27 H41 Au N3 O P
• SMILES: [Au]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)c1[nH]nnc1c1ccc(OC)cc1
• 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: 13.0682 ± 0.0016 Å
• b: 28.854 ± 0.003 Å
• c: 21.952 ± 0.003 Å
• α: 90°
• β: 102.451 ± 0.001°
• γ: 90°
• Cell volume: 8082.8 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No