Information card for entry 4070928

Structure parameters

• Common name: Compound 2.tol
• Chemical name: Bis(4-phenylbenzonitrile)bis(pentafluorophenyl) zinc.toluene
• Formula: C41.5 H22 F10 N2 Zn
• Calculated formula: C41.5 H22 F10 N2 Zn
• Title of publication: Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing
• Authors of publication: Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1436
• a: 13.48 ± 0.003 Å
• b: 30.713 ± 0.006 Å
• c: 16.796 ± 0.003 Å
• α: 90°
• β: 98.45 ± 0.03°
• γ: 90°
• Cell volume: 6878 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No