Information card for entry 4089089

Structure parameters

• Formula: C80 H61 Cl4 Cu3 P4
• Calculated formula: C80 H61 Cl4 Cu3 P4
• SMILES: [C]1(#Cc2ccccc2)[Cu]2345[C](#Cc6ccccc6)[Cu]675[C](#Cc5ccccc5)[Cu]147[P](c1c(cccc1)[P]3(c1c(cccc1)[P]2(c1ccccc1)c1ccccc1)c1c(cccc1)[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• 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: 20.8225 ± 0.0017 Å
• b: 15.2006 ± 0.0013 Å
• c: 22.2802 ± 0.0018 Å
• α: 90°
• β: 103.128 ± 0.002°
• γ: 90°
• Cell volume: 6867.7 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No