Information card for entry 4342314

Structure parameters

• Formula: C21 H24 Br Cu N4 O
• Calculated formula: C21 H24 Br Cu N4 O
• SMILES: Br[Cu]12[n]3c(c(c(c(c3)C)OC)C)C[N]2(Cc2ncccc2)Cc2[n]1cccc2
• 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: 9.8318 ± 0.0014 Å
• b: 10.1915 ± 0.0012 Å
• c: 11.5258 ± 0.0014 Å
• α: 108.248 ± 0.009°
• β: 102.053 ± 0.009°
• γ: 101.989 ± 0.009°
• Cell volume: 1025.2 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No