Information card for entry 4089095

Structure parameters

• Formula: C63 H59 Au Cu F6 O2 P5
• Calculated formula: C63 H59 Au Cu F6 O2 P5
• SMILES: [C]12#[C](C(C)(C)O)[Cu]3451[P](c1ccccc1)(c1ccccc1)c1c(cccc1)[P]3(c1c(cccc1)[P](c1ccccc1)(c1ccccc1)[Au]25)c1c(cccc1)[P]4(c1ccccc1)c1ccccc1.CCOCC.[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: 10.933 ± 0.005 Å
• b: 30.07 ± 0.013 Å
• c: 18.018 ± 0.008 Å
• α: 90°
• β: 105.288 ± 0.008°
• γ: 90°
• Cell volume: 5714 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No