Information card for entry 7034636

Structure parameters

• Chemical name: 3d
• Formula: C16 H17 Ag N4 O4
• Calculated formula: C16 H17 Ag N4 O4
• Title of publication: Synthesis and anticancer activity of silver(i)-N-heterocyclic carbene complexes derived from the natural xanthine products caffeine, theophylline and theobromine.
• Authors of publication: Mohamed, Heba A.; Lake, Benjamin R. M.; Laing, Thomas; Phillips, Roger M.; Willans, Charlotte E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7563 - 7569
• a: 8.717 ± 0.0006 Å
• b: 9.9462 ± 0.0006 Å
• c: 10.2712 ± 0.0009 Å
• α: 82.181 ± 0.006°
• β: 86.063 ± 0.006°
• γ: 67.816 ± 0.006°
• Cell volume: 816.79 ± 0.11 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No