Information card for entry 4112960

Structure parameters

• Formula: C68 H98 Ni2 O2 P2
• Calculated formula: C68 H98 Ni2 O2 P2
• SMILES: C1[Ni]2([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)[O]([C@@H]3[C@H]1Cc1c3cccc1)[Ni]1(C[C@H]3Cc4c([C@H]3[O]21)cccc4)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.c1ccccc1.c1ccccc1
• 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: 11.2613 ± 0.0008 Å
• b: 11.348 ± 0.001 Å
• c: 12.122 ± 0.001 Å
• α: 98.863 ± 0.002°
• β: 95.684 ± 0.003°
• γ: 95.96 ± 0.004°
• Cell volume: 1511.9 ± 0.2 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: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.288
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No