Information card for entry 4081774

Structure parameters

• Formula: C76.5 H67 Cl N2 Ni
• Calculated formula: C76.25 H66 Cl N2 Ni
• Title of publication: Enhanced Activity of [Ni(NHC)CpCl] Complexes in Arylamination Catalysis
• Authors of publication: Martin, Anthony R.; Makida, Yusuke; Meiries, Sébastien; Slawin, Alexandra M. Z.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6265
• a: 14.088 ± 0.005 Å
• b: 15.275 ± 0.004 Å
• c: 15.529 ± 0.006 Å
• α: 69.14 ± 0.03°
• β: 89.2 ± 0.04°
• γ: 72.69 ± 0.03°
• Cell volume: 2965 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No