Information card for entry 4105469

Structure parameters

• Formula: C53 H62 Cu Li O2 Si
• Calculated formula: C53 H62 Cu Li O2 Si
• SMILES: [Cu]([C]1#[C]([Si](C)(C)C)[Li]1([O]1CCCC1)[O]1CCCC1)c1c2C(CC(c2cc2C(CC(c12)(c1ccccc1)c1ccccc1)(C)C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky "Rind" Ligands
• Authors of publication: Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 18024 - 18025
• a: 10.8203 ± 0.0015 Å
• b: 13.1963 ± 0.0019 Å
• c: 16.471 ± 0.002 Å
• α: 93.367 ± 0.002°
• β: 93.257 ± 0.002°
• γ: 102.391 ± 0.002°
• Cell volume: 2287.3 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No