Information card for entry 1517023

Structure parameters

• Formula: C59.7 H40.71 Au2 Cl3.4 N2 O4 P2
• Calculated formula: C59.7 H40.7098 Au2 Cl3.4 N2 O4 P2
• SMILES: [Au](C#CC(=C(C#Cc1ccc(N(=O)=O)cc1)C#Cc1ccc(N(=O)=O)cc1)C#C[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• Title of publication: The Gilded Edge in Acetylenic Scaffolding: Pd-Catalyzed Cross-Coupling Reactions of Phosphine-Gold(I) Oligoynyl Complexes.
• Authors of publication: Mazzanti, Virginia; Jiang, Huixin; Gotfredsen, Henrik; Morsing, Thorbjørn J; Parker, Christian R.; Nielsen, Mogens Brøndsted
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 3736
• a: 13.3652 ± 0.0006 Å
• b: 13.4905 ± 0.0007 Å
• c: 17.0362 ± 0.0008 Å
• α: 83.516 ± 0.002°
• β: 86.041 ± 0.002°
• γ: 64.505 ± 0.002°
• Cell volume: 2754.1 ± 0.2 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0683
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No