Information card for entry 7110894

Structure parameters

• Formula: C42 H22 B F24 Ni
• Calculated formula: C42 H22 B F24 Ni
• Title of publication: Weakly-coordinating anions stabilise the unprecedented monovalent and divalent η-benzene nickel cations [(η-C5H5)Ni(η-C6H6)Ni(η-C5H5)]2+ and [Ni(η-C6H6)2]2+
• Authors of publication: Priego, José L.; Doerrer, Linda H.; Rees, Leigh H.; Green, Malcolm. L. H.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 779
• a: 15.792 ± 0.003 Å
• b: 12.679 ± 0.003 Å
• c: 21.434 ± 0.004 Å
• α: 90°
• β: 91.52 ± 0.03°
• γ: 90°
• Cell volume: 4290.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections: 0.1973
• Weighted residual factors for significantly intense reflections: 0.1857
• Goodness-of-fit parameter for all reflections: 1.451
• Goodness-of-fit parameter for significantly intense reflections: 1.457
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No