Information card for entry 2208992

Structure parameters

• Formula: C15 H17 Cu N5 O
• Calculated formula: C15 H17 Cu N5 O
• SMILES: [Cu]12([N](=Cc3c(O1)ccc1c3cccc1)CC[N]2(C)C)N=N#N
• Title of publication: Azido{1-[2-(dimethylamino)ethyliminomethyl]naphthalenolato}copper(II)
• Authors of publication: Zhu, Qi-Yong; Wei, Yi-Jun; Wang, Feng-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m983 - m985
• a: 7.568 ± 0.001 Å
• b: 13.306 ± 0.001 Å
• c: 30.28 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3049.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes