Information card for entry 4081770

Structure parameters

• Formula: C26 H29 Cl N2 Ni
• Calculated formula: C26 H29 Cl N2 Ni
• SMILES: [Ni]1234(Cl)(=C5N(C=CN5c5c(cc(cc5C)C)C)c5c(cc(cc5C)C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 8.2279 ± 0.0014 Å
• b: 15.648 ± 0.003 Å
• c: 19.359 ± 0.004 Å
• α: 71.217 ± 0.011°
• β: 85.441 ± 0.016°
• γ: 80.867 ± 0.014°
• Cell volume: 2328.7 ± 0.8 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: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No