Information card for entry 4121285

Structure parameters

• Formula: C34 H55 N2 Ni Si2
• Calculated formula: C34 H55 N2 Ni Si2
• SMILES: [Ni](=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)C([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes
• Authors of publication: Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18272 - 18275
• a: 20.346 ± 0.002 Å
• b: 15.4644 ± 0.0016 Å
• c: 23.164 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7288.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No