Information card for entry 2208130

Structure parameters

• Chemical name: Azido{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}copper(II)
• Formula: C13 H17 Cl2 Cu N5 O
• Calculated formula: C13 H17 Cl2 Cu N5 O
• SMILES: [Cu]12([N](=Cc3c(O1)c(Cl)cc(Cl)c3)CC[N]2(CC)CC)N=N#N
• Title of publication: Azido{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}copper(II)
• Authors of publication: Wei, Yi-Jun; Wang, Feng-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m309 - m311
• a: 10.723 ± 0.002 Å
• b: 11.506 ± 0.002 Å
• c: 13.192 ± 0.003 Å
• α: 90°
• β: 99.32 ± 0.03°
• γ: 90°
• Cell volume: 1606.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes