Information card for entry 7110896

Structure parameters

• Formula: C43 H23 B F24 Ni
• Calculated formula: C43 H23 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: 12.889 ± 0.005 Å
• b: 13.191 ± 0.006 Å
• c: 14.42 ± 0.004 Å
• α: 86.902 ± 0.006°
• β: 90.131 ± 0.006°
• γ: 61.171 ± 0.006°
• Cell volume: 2143.6 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.2037
• Weighted residual factors for significantly intense reflections: 0.1873
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No