Information card for entry 4082208

Structure parameters

• Formula: C22 H18 F8 N2 Ni
• Calculated formula: C22 H18 F8 N2 Ni
• SMILES: [Ni]1(C#[N]c2c(cccc2C)C)(C#[N]c2c(cccc2C)C)C(F)(F)C(F)(F)C(F)(F)C1(F)F
• Title of publication: Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings
• Authors of publication: Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7552
• a: 7.7462 ± 0.0017 Å
• b: 17.523 ± 0.004 Å
• c: 15.835 ± 0.003 Å
• α: 90°
• β: 93.792 ± 0.005°
• γ: 90°
• Cell volume: 2144.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No