Information card for entry 7102960

Structure parameters

• Formula: C13 H26 Ag Cl2 F12 O2 P2 S4
• Calculated formula: C13 H24 Ag Cl2 F12 O2 P2 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: 11.19 ± 0.002 Å
• b: 10.51 ± 0.002 Å
• c: 22.99 ± 0.005 Å
• α: 90°
• β: 91 ± 0.03°
• γ: 90°
• Cell volume: 2703.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.162
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7848 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No