Information card for entry 7010266

Structure parameters

• Common name: Compound X
• Chemical name: 3-(2,6-di-isopropylphenyl)-1-(2-pyridyl)-imidazol-2-ylidene silver bromide
• Formula: C20 H23 Ag Br N3
• Calculated formula: C20 H23 Ag Br N3
• SMILES: [Ag](Br)=C1N(c2ccccn2)C=CN1c1c(cccc1C(C)C)C(C)C
• Title of publication: N-Functionalised heterocyclic carbene complexes of silver
• Authors of publication: Tulloch, Arran A. D.; Danopoulos, Andreas A.; Winston, Scott; Kleinhenz, Sven; Eastham, Graham
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4499
• a: 10.8837 ± 0.0004 Å
• b: 16.4154 ± 0.0006 Å
• c: 11.4127 ± 0.0004 Å
• α: 90°
• β: 103.155 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 1985.49 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No