Information card for entry 4064621

Structure parameters

• Formula: C11 H23 Ni P
• Calculated formula: C11 H23 Ni P
• SMILES: [Ni]1234([P](C)(C)C)([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: 6.181 ± 0.0009 Å
• b: 24.185 ± 0.004 Å
• c: 9.2726 ± 0.0014 Å
• α: 90°
• β: 104.549 ± 0.004°
• γ: 90°
• Cell volume: 1341.7 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No