Information card for entry 4082207

Structure parameters

• Formula: C26 H42 Cu2 F16 N6 O6 Zn
• Calculated formula: C26 H42 Cu2 F16 N6 O6 Zn
• SMILES: [Zn]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.[Cu]12[Cu](C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)(F)C2(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: 12.5251 ± 0.0013 Å
• b: 18.1135 ± 0.0019 Å
• c: 17.4435 ± 0.0018 Å
• α: 90°
• β: 94.938 ± 0.002°
• γ: 90°
• Cell volume: 3942.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0326
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No