Information card for entry 4123482

Structure parameters

• Formula: C67 H63 B F18 Ni O2 P2
• Calculated formula: C67 H63 B F18 Ni O2 P2
• 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: 11.7131 ± 0.0002 Å
• b: 19.5556 ± 0.0004 Å
• c: 28.4483 ± 0.0005 Å
• α: 90°
• β: 90.58 ± 0.0007°
• γ: 90°
• Cell volume: 6515.9 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1727
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2696
• Weighted residual factors for all reflections included in the refinement: 0.3413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No