Information card for entry 7011881

Structure parameters

• Common name: [Cu(NS3vinyl)]PF6
• Chemical name: [Copper(I)(tris(2-vinylsulfanyl-ethyl)-amin)]PF6
• Formula: C12 H21 Cu F6 N P S3
• Calculated formula: C12 H21 Cu F6 N P S3
• Title of publication: Central vs. peripheral Ag(i) coordination in NS3-open chain and cage ligands
• Authors of publication: Baumeister, Jan M.; Alberto, Roger; Ortner, Kirstin; Spingler, Bernhard; August Schubiger, P.; Kaden, Thomas A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4143
• a: 12.3903 ± 0.001 Å
• b: 15.3514 ± 0.0008 Å
• c: 10.2517 ± 0.0008 Å
• α: 90°
• β: 91.405 ± 0.009°
• γ: 90°
• Cell volume: 1949.4 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No