Information card for entry 4066150

Structure parameters

• Formula: C30 H49 Ni O2 P
• Calculated formula: C30 H49 Ni O2 P
• SMILES: [Ni]123([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)O[C]2(=[CH]3C3=C(CCCC3)C=C(O1)C)C
• Title of publication: [3 + 3] Cyclodimerization of Methylenecyclopropanes: Stoichiometric and Catalytic Reactions of Nickel(0) with Electron-Deficient Alkylidenecyclopropanes
• Authors of publication: Ohashi, Masato; Taniguchi, Tomoaki; Ogoshi, Sensuke
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2386
• a: 9.4332 ± 0.0007 Å
• b: 9.8971 ± 0.001 Å
• c: 15.5739 ± 0.0013 Å
• α: 83.098 ± 0.003°
• β: 85.121 ± 0.002°
• γ: 80.402 ± 0.003°
• Cell volume: 1420.1 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No