Information card for entry 4319793

Structure parameters

• Formula: C28 H43 Br2 Cu N2
• Calculated formula: C28 H43 Br2 Cu N2
• SMILES: Br[Cu]1([n]2c(c3[n]1ccc(c3)C(CCCC)CCCC)cc(cc2)C(CCCC)CCCC)Br
• Title of publication: Synthesis, Characterization, and Bromine Substitution by 4,4'-Di(5-nonyl)-2,2'-bipyridine in CuII(4,4'-di(5-nonyl)-2,2'-bipyridine)Br2
• Authors of publication: Tomislav Pintauer; Jian Qiu; Guido Kickelbick; Krzysztof Matyjaszewski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2818 - 2824
• a: 12.5283 ± 0.0011 Å
• b: 15.0256 ± 0.0014 Å
• c: 17.79 ± 0.0016 Å
• α: 90.35 ± 0.002°
• β: 99.36 ± 0.002°
• γ: 107.937 ± 0.002°
• Cell volume: 3138.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No