Information card for entry 7011879

Structure parameters

• Common name: [Cu(NS3Ph)]PF6
• Chemical name: [Copper(I)(tris(2-benzylsulfanyl-ethyl)-amin)]PF6
• Formula: C27 H33 Cu F6 N P S3
• Calculated formula: C27 H33 Cu F6 N P S3
• SMILES: [Cu]123[N](CC[S]1Cc1ccccc1)(CC[S]2Cc1ccccc1)CC[S]3Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 9.0477 ± 0.0006 Å
• b: 11.6121 ± 0.0008 Å
• c: 14.9961 ± 0.0011 Å
• α: 107.744 ± 0.008°
• β: 98.854 ± 0.008°
• γ: 93.95 ± 0.008°
• Cell volume: 1471.4 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No