Information card for entry 7034635

Structure parameters

• Chemical name: 3c
• Formula: C14 H22 Ag N4 O4.5
• Calculated formula: C14 H22 Ag N4 O4.5
• SMILES: [Ag](OC(=O)C)=C1N(C)C2N(C)C(=O)N(C)C(=O)C=2N1CCCC.O
• 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: 9.0608 ± 0.0004 Å
• b: 9.5485 ± 0.0005 Å
• c: 19.4525 ± 0.0009 Å
• α: 87.707 ± 0.004°
• β: 84.198 ± 0.004°
• γ: 82.717 ± 0.004°
• Cell volume: 1660.21 ± 0.14 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0447
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No