Information card for entry 7050686

Structure parameters

• Formula: C9 H23 Br2 Cu N3
• Calculated formula: C9 H23 Br2 Cu N3
• SMILES: [Cu]12(Br)(Br)[N](CC[N]1(CC[N]2(C)C)C)(C)C
• 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: 15.164 ± 0.003 Å
• b: 13.664 ± 0.003 Å
• c: 14.846 ± 0.003 Å
• α: 90°
• β: 100.35 ± 0.03°
• γ: 90°
• Cell volume: 3026.1 ± 1.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No