Information card for entry 4114832

Structure parameters

• Formula: C27 H29 Cu F6 N2 P2
• Calculated formula: C27 H29 Cu F6 N2 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](C)(C)CCc2[n]1cccc2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Fine-Tuning of Copper(I)-Dioxygen Reactivity by 2-(2-Pyridyl)ethylamine Bidentate Ligands
• Authors of publication: Masayasu Taki; Shinichi Teramae; Shigenori Nagatomo; Yoshimitsu Tachi; Teizo Kitagawa; Shinobu Itoh; Shunichi Fukuzumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 6367 - 6377
• a: 22.512 ± 0.002 Å
• b: 8.2258 ± 0.0007 Å
• c: 14.925 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2763.8 ± 0.4 ų
• Cell temperature: 223.1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No