Information card for entry 4342317

Structure parameters

• Formula: C21 H24 Br2 Cu N4 O
• Calculated formula: C21 H24 Br2 Cu N4 O
• SMILES: [Cu]123(Br)[N](Cc4[n]2cccc4)(Cc2[n]3cc(c(c2C)OC)C)Cc2[n]1cccc2.[Br-]
• Title of publication: Properties and ATRP Activity of Copper Complexes with Substituted Tris(2-pyridylmethyl)amine-Based Ligands.
• Authors of publication: Kaur, Aman; Ribelli, Thomas G.; Schröder, Kristin; Matyjaszewski, Krzysztof; Pintauer, Tomislav
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1474 - 1486
• a: 15.2862 ± 0.0004 Å
• b: 9.7907 ± 0.0002 Å
• c: 16.3026 ± 0.0004 Å
• α: 90°
• β: 104.372 ± 0.001°
• γ: 90°
• Cell volume: 2363.53 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0356
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No