Information card for entry 4342319

Structure parameters

• Formula: C27 H36 Br2 Cu N4 O3
• Calculated formula: C27 H36 Br2 Cu N4 O3
• SMILES: [Br-].[Cu]123(Br)[N](Cc4[n]1cc(c(c4C)OC)C)(Cc1[n]2cc(c(c1C)OC)C)Cc1[n]3cc(c(c1C)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: 14.8434 ± 0.0004 Å
• b: 16.5774 ± 0.0005 Å
• c: 17.2306 ± 0.0005 Å
• α: 115.218 ± 0.002°
• β: 111.733 ± 0.002°
• γ: 94.596 ± 0.002°
• Cell volume: 3417.4 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No