Information card for entry 4342315

Structure parameters

• Formula: C24 H30 Br Cu N4 O2
• Calculated formula: C24 H30 Br Cu N4 O2
• SMILES: Br[Cu]123[N](Cc4[n]2cc(c(c4C)OC)C)(Cc2[n]1cc(c(c2C)OC)C)Cc1[n]3cccc1
• 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: 8.3336 ± 0.0002 Å
• b: 21.0561 ± 0.0005 Å
• c: 14.0166 ± 0.0003 Å
• α: 90°
• β: 100.04 ± 0.001°
• γ: 90°
• Cell volume: 2421.87 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No