Information card for entry 4082206

Structure parameters

• Formula: C8 H6 F8 N2 Ni
• Calculated formula: C8 H6 F8 N2 Ni
• SMILES: [Ni]1([N]#CC)([N]#CC)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: 13.142 ± 0.003 Å
• b: 10.518 ± 0.002 Å
• c: 17.372 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2401.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No