Information card for entry 7011885

Structure parameters

• Common name: [Ag(NS3Phan)]PF6
• Chemical name: [Silver(I)(1-aza-4,10,15-trithia-7(1,3,5)-benzenabicyclo[5.5.5] heptadecaphan)]PF6
• Formula: C18 H27 Ag F6 N P S3
• Calculated formula: C18 H27 Ag 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: 13.2112 ± 0.0009 Å
• b: 13.5373 ± 0.0012 Å
• c: 13.9691 ± 0.0009 Å
• α: 90°
• β: 115.847 ± 0.007°
• γ: 90°
• Cell volume: 2248.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No