Information card for entry 7050687

Structure parameters

• Formula: C14 H32 Br2 Cu N4
• Calculated formula: C14 H32 Br2 Cu N4
• SMILES: [Cu]123(Br)[N]4(CC[N]1(CCC[N]2(CC[N]3(CCC4)C)C)C)C.[Br-]
• Title of publication: Structural comparison of CuII complexes in atom transfer radical polymerization
• Authors of publication: Kickelbick, Guido; Pintauer, Tomislav; Matyjaszewski, Krzysztof
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 462
• a: 15.2858 ± 0.0002 Å
• b: 8.082 Å
• c: 15.0421 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1858.3 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No