Information card for entry 4064525

Structure parameters

• Formula: C29 H44 N Ni P
• Calculated formula: C29 H44 N Ni P
• SMILES: [Ni]123([C](#[N]1)c1ccccc1C[C]2(=[CH2]3)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Intramolecular Oxidative Cyclization of Alkenes and Nitriles with Nickel(0)
• Authors of publication: Ohashi, Masato; Ikawa, Masashi; Ogoshi, Sensuke
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2765
• a: 14.7687 ± 0.0012 Å
• b: 12.0964 ± 0.001 Å
• c: 30.477 ± 0.003 Å
• α: 90°
• β: 101.537 ± 0.002°
• γ: 90°
• Cell volume: 5334.7 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1661
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No