Information card for entry 2210861

Structure parameters

• Chemical name: Azido[2-bromo-4-chloro-6-[2-(diethylamino)ethyliminomethyl]phenolato- κ^3^N,N',O]copper(II)
• Formula: C13 H17 Br Cl Cu N5 O
• Calculated formula: C13 H17 Br Cl Cu N5 O
• SMILES: [Cu]12(Oc3c(cc(Cl)cc3Br)C=[N]1CC[N]2(CC)CC)N=N#N
• Title of publication: Azido{2-bromo-4-chloro-6-[2-(diethylamino)ethyliminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)
• Authors of publication: Jian-Ying Miao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3112 - m3114
• a: 17.541 ± 0.001 Å
• b: 9.721 ± 0.001 Å
• c: 9.843 ± 0.002 Å
• α: 90°
• β: 92.465 ± 0.002°
• γ: 90°
• Cell volume: 1676.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes