Information card for entry 1506861

Structure parameters

• Formula: C12 H20 Cl2 Cu N2 O2
• Calculated formula: C12 H20 Cl2 Cu N2 O2
• SMILES: [Cu]1(Cl)(Cl)[N]2C(COC=2CCC2=[N]1C(CO2)(C)C)(C)C
• Title of publication: Metal-Mediated Polymerization of Acrylates: Relevance of Radical Traps?
• Authors of publication: Nagel, Megan; Paxton, Walter F.; Sen, Ayusman; Zakharov, Lev; Rheingold, Arnold L.
• Journal of publication: Macromolecules
• Year of publication: 2004
• Journal volume: 37
• Journal issue: 25
• Pages of publication: 9305
• a: 14.0146 ± 0.0007 Å
• b: 9.5327 ± 0.0005 Å
• c: 11.9678 ± 0.0006 Å
• α: 90°
• β: 105.98 ± 0.001°
• γ: 90°
• Cell volume: 1537.08 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.409
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No