Information card for entry 4068556

Structure parameters

• Formula: C12 H9 F6 N4 P
• Calculated formula: C12 H9 F6 N4 P
• SMILES: n1(c[n+](cc1)CC#N)c1c(cccc1)C#N.[P](F)(F)(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: 7.7595 ± 0.0004 Å
• b: 10.3099 ± 0.0007 Å
• c: 9.034 ± 0.0005 Å
• α: 90°
• β: 92.098 ± 0.004°
• γ: 90°
• Cell volume: 722.23 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No