Information card for entry 4112959

Structure parameters

• Formula: C48 H86 Ni2 O2 P2
• Calculated formula: C48 Ni2 O2 P2
• SMILES: [Ni]12([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)[O]([Ni]3([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[O]1[C@H]1[C@@H](C3)CCC1)[C@H]1[C@@H](C2)CCC1.[Ni]12([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)[O]([Ni]3([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[O]1[C@@H]1[C@H](C3)CCC1)[C@@H]1[C@H](C2)CCC1
• Title of publication: Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf
• Authors of publication: Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 11802 - 11803
• a: 10.393 ± 0.001 Å
• b: 10.421 ± 0.001 Å
• c: 24.059 ± 0.002 Å
• α: 80.009 ± 0.003°
• β: 78.037 ± 0.006°
• γ: 67.813 ± 0.001°
• Cell volume: 2347.3 ± 0.4 ų
• Cell temperature: 273.1 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 significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 4.932
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No