Information card for entry 4077724

Structure parameters

• Formula: C47 H37 Au F5 N O P2
• Calculated formula: C47 H37 Au F5 N O P2
• SMILES: [Au](C#C)c1c(c(c(c(c1F)F)F)F)F.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: A Novel Type of Alkynylgold(I) Complex. Crystal and Molecular Structures of PPN[Au(Ar)(C⋮CH)] [Ar = C6F5, C6H2(NO2)3-2,4,6]
• Authors of publication: Vicente, José; Chicote, María-Teresa; Abrisqueta, María-Dolores; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 2629
• a: 9.9604 ± 0.001 Å
• b: 15.3873 ± 0.0014 Å
• c: 26.862 ± 0.003 Å
• α: 90°
• β: 92.738 ± 0.008°
• γ: 90°
• Cell volume: 4112.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.0561
• Goodness-of-fit parameter for all reflections: 0.891
• Goodness-of-fit parameter for significantly intense reflections: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No