Information card for entry 7018837

Structure parameters

• Chemical name: [Tris(N-(2-aminoethyl)aziridine-N,N)copper(II)]dichloride
• Formula: C16 H36 Cl2 Cu N4
• Calculated formula: C16 H36 Cl2 Cu N4
• SMILES: [Cu]12(Cl)([N]3(C(C3)(C)C)CC([NH2]1)(C)C)[N]1(C(C1)(C)C)CC([NH2]2)(C)C.[Cl-]
• Title of publication: Synthesis, structural characterization, antimicrobial and cytotoxic effects of aziridine, 2-aminoethylaziridine and azirine complexes of copper(ii) and palladium(ii)
• Authors of publication: Budzisz, E.; Bobka, R.; Hauss, A.; Roedel, J. N.; Wirth, S.; Lorenz, I.-P.; Rozalska, B.; Więckowska-Szakiel, M.; Krajewska, U.; Rozalski, M.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5925
• a: 24.9994 ± 0.0005 Å
• b: 9.0537 ± 0.0001 Å
• c: 18.8146 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4258.44 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No