Information card for entry 7120104

Structure parameters

• Chemical name: poly(disilver-dimethionine-dinitrate) dihydrate
• Formula: C20 H48 Ag2 N6 O16 S4
• Calculated formula: C20 H48 Ag2 N6 O16 S4
• Title of publication: Model Peptide Studies of Ag+ Binding Sites from the Silver Resistance Protein SilE
• Authors of publication: Chabert, Valentin; Hologne, Maggy; Seneque, Olivier; Crochet, Aurelien; Walker, Olivier; Fromm, Katharina
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 5.081 ± 0.0003 Å
• b: 24.7309 ± 0.0012 Å
• c: 14.5097 ± 0.001 Å
• α: 90°
• β: 99.007 ± 0.005°
• γ: 90°
• Cell volume: 1800.77 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2272
• Weighted residual factors for all reflections included in the refinement: 0.2525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No