Information card for entry 4340731

Structure parameters

• Formula: C13 H23 Cu F6 N3 P
• Calculated formula: C13 H23 Cu F6 N3 P
• SMILES: [Cu]12[n]3c(CC[N]1(CCC[N]2(C)C)C)cccc3.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Geometric control of nuclearity in copper(i)/dioxygen chemistry.
• Authors of publication: Abe, Tsukasa; Morimoto, Yuma; Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Fujieda, Nobutaka; Ogura, Takashi; Itoh, Shinobu
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8786 - 8794
• a: 8.1408 ± 0.0005 Å
• b: 13.0361 ± 0.0006 Å
• c: 16.5531 ± 0.001 Å
• α: 90°
• β: 90.1188 ± 0.0017°
• γ: 90°
• Cell volume: 1756.68 ± 0.17 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No