Information card for entry 7026275

Structure parameters

• Common name: ((N-(2-Aminoisobutyl)-2,2-dimethylaziridine-2N,N0)- bromidocopper(i))
• Chemical name: [(N-(2-Aminoisobutyl)-2,2-dimethylaziridine-2N,N0)- bromidocopper(I)]
• Formula: C8 H18 Br Cu N2
• Calculated formula: C8 H18 Br Cu N2
• SMILES: Br[Cu]1[N]2(C(C2)(C)C)CC([NH2]1)(C)C
• Title of publication: Reactions of Cu(I)Br with aziridine derivatives. Synthesis, characterization and crystal structures of monomeric, dimeric and hexameric aziridine (= az) complexes of the formal type [CuBr(az)2]n (n = 1, 2) and [CuBr(az)]6.
• Authors of publication: Bobka, Roman; Roedel, J. Nicolas; Wirth, Stefan; Lorenz, Ingo-Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10142 - 10147
• a: 17.6475 ± 0.0009 Å
• b: 16.6004 ± 0.0008 Å
• c: 9.3899 ± 0.0005 Å
• α: 90°
• β: 120.918 ± 0.003°
• γ: 90°
• Cell volume: 2359.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No