Information card for entry 4089092

Structure parameters

• Formula: C65 H53 Cu2 F6 O P5
• Calculated formula: C65 H53 Cu2 F6 O P5
• SMILES: [C]12#[C](c3ccccc3)[Cu]3452[P](c2c(cccc2)[P](c2ccccc2)(c2ccccc2)[Cu]15)(c1ccccc1[P]3(c1ccccc1)c1ccccc1)c1ccccc1[P]4(c1ccccc1)c1ccccc1.CC(=O)C.[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: 10.9071 ± 0.0008 Å
• b: 30.125 ± 0.002 Å
• c: 17.9273 ± 0.0014 Å
• α: 90°
• β: 105.118 ± 0.002°
• γ: 90°
• Cell volume: 5686.6 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1376
• 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