Information card for entry 4126454

Structure parameters

• Formula: C48 H64 Cu Li3 O6
• Calculated formula: C48 H64 Cu Li3 O6
• SMILES: [Cu]123456[c]78c(cccc7)c7cccc[c]917[Li]5([O]1CCCC1)([O]1CCCC1)[c]13(ccccc1c1cccc[c]21[Li]69([O]1CCCC1)[O]1CCCC1)[Li]48([O]1CCCC1)[O]1CCCC1
• Title of publication: Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.
• Authors of publication: Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 12.4734 ± 0.0005 Å
• b: 12.4985 ± 0.0005 Å
• c: 14.5205 ± 0.0006 Å
• α: 86.958 ± 0.003°
• β: 82.364 ± 0.003°
• γ: 80.872 ± 0.003°
• Cell volume: 2214.06 ± 0.16 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No