Information card for entry 4082205

Structure parameters

• Formula: C20 H18 F12 N4 Zn2
• Calculated formula: C20 H18 F12 N4 Zn2
• SMILES: C1(C(F)(C(F)(F)[Zn](C(C(C([Zn]1([N]#CC)[N]#CC)(F)F)(F)F)(F)F)([N]#CC)[N]#CC)F)(F)F.c1ccccc1
• 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: 16.4914 ± 0.0019 Å
• b: 8.3476 ± 0.0009 Å
• c: 19.403 ± 0.002 Å
• α: 90°
• β: 109.464 ± 0.003°
• γ: 90°
• Cell volume: 2518.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No