Information card for entry 4126455

Structure parameters

• Formula: C40 H64 Br Cu Li4 O4 Si2
• Calculated formula: C40 H64 Br Cu Li4 O4 Si2
• SMILES: [Br]1[Li]23([Cu]456789[C]%102([Si](C)(C)C)=[C]23([c]3%11[c]%124(cccc3)[Li]7%102%11([O]2CCCC2)[c]236[c]4([C]67(=[C]5([Si](C)(C)C)([Li]186[O]1CCCC1)[Li]9%12347[O]1CCCC1)C)cccc2)C)[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: 11.6599 ± 0.0008 Å
• b: 18.6539 ± 0.0011 Å
• c: 21.2056 ± 0.0016 Å
• α: 90°
• β: 104.467 ± 0.007°
• γ: 90°
• Cell volume: 4466 ± 0.5 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No