Information card for entry 4123479

Structure parameters

• Formula: C52 H53 B F18 Ni O P2
• Calculated formula: C52 H53 B F18 Ni O P2
• SMILES: [Ni]123([P](C4CCCCC4)(CC[P]1(C1CCCCC1)C1CCCCC1)C1CCCCC1)[O]=[C]3(C2(F)F)c1ccccc1.F[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.
• Authors of publication: Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 9
• Pages of publication: 3276 - 3282
• a: 11.6106 ± 0.0007 Å
• b: 14.4297 ± 0.0008 Å
• c: 15.6884 ± 0.0008 Å
• α: 86.3941 ± 0.0017°
• β: 88.475 ± 0.003°
• γ: 72.09 ± 0.0017°
• Cell volume: 2496 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No