Information card for entry 7030540

Structure parameters

• Common name: 1-(2-hydroxyethyl)-3,7,9-trimethylxanthin-8-ylidene silver acetate
• Formula: C12 H17 Ag N4 O5
• Calculated formula: C12 H17 Ag N4 O5
• Title of publication: A theobromine derived silver N-heterocyclic carbene: synthesis, characterization, and antimicrobial efficacy studies on cystic fibrosis relevant pathogens
• Authors of publication: Panzner, Matthew J.; Hindi, Khadijah M.; Wright, Brian D.; Taylor, Jane B.; Han, Daniel S.; Youngs, Wiley J.; Cannon, Carolyn L.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7308 - 7313
• a: 23.896 ± 0.003 Å
• b: 8.2797 ± 0.0011 Å
• c: 14.8598 ± 0.0019 Å
• α: 90°
• β: 94.104 ± 0.002°
• γ: 90°
• Cell volume: 2932.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002087
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No