Information card for entry 4064624

Structure parameters

• Formula: C33 H46 N2 Ni
• Calculated formula: C33 H46 N2 Ni
• SMILES: [Ni]123(=C4N(C=CN4c4c(cccc4C(C)C)C(C)C)c4c(cccc4C(C)C)C(C)C)[CH2]=[CH]1CC[CH]2=[CH2]3
• Title of publication: Synthesis, Properties, and Reactivity with Carbon Dioxide of (allyl)2Ni(L) Complexes
• Authors of publication: Wu, Jianguo; Hazari, Nilay; Incarvito, Christopher D.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 3142
• a: 10.823 ± 0.002 Å
• b: 16.161 ± 0.003 Å
• c: 18.61 ± 0.003 Å
• α: 90°
• β: 97.284 ± 0.005°
• γ: 90°
• Cell volume: 3228.8 ± 1 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• 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: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No