Information card for entry 4068557

Structure parameters

• Formula: C22 H18 Ag B F4 N6
• Calculated formula: C22 H18 Ag B F4 N6
• SMILES: [Ag](=C1N(C=CN1c1ccccc1C#N)C)=C1N(C=CN1c1ccccc1C#N)C.[B](F)(F)(F)[F-]
• Title of publication: Synthesis and Characterization of Nitrile-Functionalized N-Heterocyclic Carbenes and Their Complexes of Silver(I) and Rhodium(I)
• Authors of publication: O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 853
• a: 11.6459 ± 0.0003 Å
• b: 7.6957 ± 0.0004 Å
• c: 25.4018 ± 0.0012 Å
• α: 90°
• β: 96.613 ± 0.003°
• γ: 90°
• Cell volume: 2261.45 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.1116
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No