Information card for entry 4077147

Structure parameters

• Formula: C49 H42 Au N O3 P2
• Calculated formula: C49 H42 Au N O3 P2
• SMILES: [Au](C#Cc1ccc(cc1)N(=O)=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes
• Authors of publication: Vicente, José; Singhal, Anshu R.; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5887
• a: 11.7875 ± 0.0011 Å
• b: 13.4391 ± 0.0012 Å
• c: 14.8753 ± 0.0012 Å
• α: 78.828 ± 0.003°
• β: 68.06 ± 0.003°
• γ: 68.627 ± 0.003°
• Cell volume: 2030.9 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No