Information card for entry 4066148

Structure parameters

• Formula: C93 H88 Ni2 O4 P4
• Calculated formula: C93 H85 Ni2 O4 P4
• 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: 24.0851 ± 0.0003 Å
• b: 17.0143 ± 0.0004 Å
• c: 19.4337 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7963.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No