Information card for entry 4077723

Structure parameters

• Formula: C44 H33 Au N4 O6 P2
• Calculated formula: C44 H33 Au N4 O6 P2
• SMILES: [Au](C#C)c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.44 ± 0.002 Å
• b: 13.114 ± 0.003 Å
• c: 15.172 ± 0.003 Å
• α: 80.508 ± 0.012°
• β: 80.789 ± 0.014°
• γ: 75.243 ± 0.014°
• Cell volume: 1965.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.0586
• Goodness-of-fit parameter for all reflections: 0.843
• Goodness-of-fit parameter for significantly intense reflections: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No