Information card for entry 4342316

Structure parameters

• Formula: C27 H36 Br Cu N4 O3
• Calculated formula: C27 H36 Br Cu N4 O3
• SMILES: Br[Cu]123[n]4c(C[N]3(Cc3[n]2cc(c(c3C)OC)C)Cc2[n]1cc(c(c2C)OC)C)c(c(c(c4)C)OC)C
• 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: 8.3019 ± 0.0002 Å
• b: 21.5474 ± 0.0005 Å
• c: 16.0245 ± 0.0004 Å
• α: 90°
• β: 104.688 ± 0.002°
• γ: 90°
• Cell volume: 2772.86 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.612
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No