Information card for entry 7102961

Structure parameters

• Common name: (Ag((18)aneS4O2))(PF6)(CH3CN)
• Formula: C14 H27 Ag F6 N O2 P S4
• Calculated formula: C14 H25 Ag F6 N O2 P S4
• Title of publication: Electronic structure of the mononuclear Ag(ii) complex [Ag([18]aneS(4)O(2))](2+) ([18]aneS(4)O(2) = 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane).
• Authors of publication: Huang, Deguang; Blake, Alexander J; McInnes, Eric J L; McMaster, Jonathan; Davies, E Stephen; Wilson, Claire; Wolowska, Joanna; Schröder, Martin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1305 - 1307
• a: 21.0076 ± 0.0004 Å
• b: 17.5973 ± 0.0006 Å
• c: 12.561 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4643.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No