Information card for entry 4064622

Structure parameters

• Formula: C26 H29 Ni P
• Calculated formula: C26 H29 Ni P
• SMILES: [Ni]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([CH2]=[C]1(C2)C)[CH2]=[C]3(C4)C
• 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: 7.9014 ± 0.0011 Å
• b: 10.8585 ± 0.0015 Å
• c: 13.7157 ± 0.0019 Å
• α: 75.237 ± 0.003°
• β: 76.793 ± 0.003°
• γ: 76.641 ± 0.003°
• Cell volume: 1089 ± 0.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No