Information card for entry 4327400

Structure parameters

• Common name: [iPrMeNN]Cu(2,4-lutidine)
• Formula: C32 H42 Cu N3
• Calculated formula: C32 H42 Cu N3
• SMILES: [Cu]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(C)cccc1C)[n]1ccc(cc1C)C
• Title of publication: Cu(I) β-Diketiminates for Alkene Aziridination: Reversible CuArene Binding and Catalytic Nitrene Transfer from PhINTs
• Authors of publication: Latasha D. Amisial; Xuliang Dai; R. Adam Kinney; Ammani Krishnaswamy; Timothy H. Warren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6537 - 6539
• a: 13.2665 ± 0.0015 Å
• b: 13.5257 ± 0.0015 Å
• c: 16.6446 ± 0.0019 Å
• α: 90°
• β: 97.799 ± 0.002°
• γ: 90°
• Cell volume: 2959.1 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No