Information card for entry 4081773

Structure parameters

• Formula: C85.5 H80.5 Cl N2 Ni
• Calculated formula: C85.5 H77 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: 12.8446 ± 0.001 Å
• b: 16.1593 ± 0.0013 Å
• c: 18.9313 ± 0.0015 Å
• α: 111.301 ± 0.008°
• β: 96.946 ± 0.007°
• γ: 99.036 ± 0.007°
• Cell volume: 3547.2 ± 0.6 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: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.3052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No