Information card for entry 4330634

Structure parameters

• Formula: C13 H23 Br Cu N3
• Calculated formula: C13 H23 Br Cu N3
• SMILES: Br[Cu]12[n]3ccccc3C[N]1(C)CC[N]2(CC)CC
• Title of publication: Syntheses and Structures of Closely Related Copper(I) Complexes of Tridentate (2-Pyridylmethyl)imine and (2-Pyridylmethyl)amine Ligands and Their Use in Mediating Atom Transfer Radical Polymerizations
• Authors of publication: Sara A. Turner; Zachary D. Remillard; Desire T. Gijima; Emily Gao; Robert D. Pike; Christopher Goh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10762 - 10773
• a: 12.0347 ± 0.0002 Å
• b: 8.3651 ± 0.0001 Å
• c: 15.2742 ± 0.0002 Å
• α: 90°
• β: 98.112 ± 0.001°
• γ: 90°
• Cell volume: 1522.29 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0194
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No