Information card for entry 7034634

Structure parameters

• Chemical name: 3b
• Formula: C17 H19 Ag N4 O4
• Calculated formula: C17 H19 Ag N4 O4
• SMILES: [Ag](OC(=O)C)=C1N(C)C2N(C)C(=O)N(C)C(=O)C=2N1Cc1ccccc1
• 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: 7.9222 ± 0.0008 Å
• b: 9.4296 ± 0.0018 Å
• c: 12.3121 ± 0.0019 Å
• α: 105.139 ± 0.015°
• β: 96.986 ± 0.01°
• γ: 92.438 ± 0.011°
• Cell volume: 878.6 ± 0.2 ų
• Cell temperature: 200.01 ± 0.1 K
• Ambient diffraction temperature: 200.01 ± 0.1 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: 0.1181
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No