Information card for entry 4084105

Structure parameters

• Formula: C27 H47 B F4 N6 Ni
• Calculated formula: C27 H47 B F4 N6 Ni
• Title of publication: Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity
• Authors of publication: Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5834
• a: 10.1035 ± 0.0001 Å
• b: 22.646 ± 0.0003 Å
• c: 27.1079 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6202.39 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No