Information card for entry 4089096

Structure parameters

• Formula: C69 H53 Au Cu F6 O P5
• Calculated formula: C69 H53 Au Cu F6 O P5
• SMILES: [C]1(#CC(c2ccccc2)(c2ccccc2)O)[Cu]234[P](c5c(cccc5)[P](c5ccccc5)(c5ccccc5)[Au]14)(c1ccccc1[P]2(c1ccccc1)c1ccccc1)c1ccccc1[P]3(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines
• Authors of publication: Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 21
• Pages of publication: 3763
• a: 21.974 ± 0.009 Å
• b: 20.503 ± 0.01 Å
• c: 26.6 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11984 ± 9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No