Information card for entry 4342318

Structure parameters

• Formula: C24 H30 Br2 Cu N4 O2
• Calculated formula: C24 H30 Br2 Cu N4 O2
• SMILES: C1[N]23[Cu](Br)([n]4ccccc4C2)([n]2c(C3)c(c(c(c2)C)OC)C)[n]2c1c(c(c(c2)C)OC)C.[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: 16.4808 ± 0.0003 Å
• b: 8.8546 ± 0.0001 Å
• c: 18.6534 ± 0.0003 Å
• α: 90°
• β: 98.448 ± 0.001°
• γ: 90°
• Cell volume: 2692.57 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No