Information card for entry 4126458

Structure parameters

• Formula: C40 H66 Cu Li O4 Si2
• Calculated formula: C40 H66 Cu Li O4 Si2
• SMILES: [Cu]12(C([Si](C)(C)C)=C(c3c1cccc3)C)C([Si](C)(C)C)=C(c1c2cccc1)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O](CC)CC
• 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: 17.38 ± 0.0013 Å
• b: 14.6516 ± 0.0008 Å
• c: 16.6288 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4234.4 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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 all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No