Information card for entry 7014697

Structure parameters

• Formula: C20 H22 Ag Br N2
• Calculated formula: C20 H22 Ag Br N2
• SMILES: [Ag](Br)=C1N(C=CN1C1CCCCC1)Cc1cc2ccccc2cc1
• Title of publication: Well-defined N-heterocyclic carbene silver halides of 1-cyclohexyl-3-arylmethylimidazolylidenes: synthesis, structure and catalysis in A(3)-reaction of aldehydes, amines and alkynes.
• Authors of publication: Li, Yanbo; Chen, Xiaofeng; Song, Yin; Fang, Ling; Zou, Gang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 2046 - 2052
• a: 9.5958 ± 0.0014 Å
• b: 10.0014 ± 0.0014 Å
• c: 10.5225 ± 0.0015 Å
• α: 78.32 ± 0.002°
• β: 68.86 ± 0.002°
• γ: 84.966 ± 0.002°
• Cell volume: 922.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0599
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No