Information card for entry 4060046

Structure parameters

• Formula: C18 H23 Br N2 Ni
• Calculated formula: C18 H23 Br N2 Ni
• SMILES: Br[Ni]12([CH]3=[CH]1C2c1c3cccc1)=C1N(C=CN1C(C)C)C(C)C
• Title of publication: Indenylnickel(II) N-Heterocyclic Carbene Complexes: Synthesis via Indene Elimination and Catalytic Activity for Ethylene Dimerization
• Authors of publication: Hong M. Sun; Qing Shao; Dong M. Hu; Wan F. Li; Qi Shen; Yong Zhang
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 331 - 334
• a: 11.25 ± 0.002 Å
• b: 10.887 ± 0.002 Å
• c: 14.63 ± 0.002 Å
• α: 90°
• β: 98.458 ± 0.003°
• γ: 90°
• Cell volume: 1772.5 ± 0.5 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No