Information card for entry 2214938

Structure parameters

• Chemical name: Azido{2,4-dibromo-6-[2-(diethylamino)ethyliminomethyl]phenolato}copper(II)
• Formula: C13 H17 Br2 Cu N5 O
• Calculated formula: C13 H17 Br2 Cu N5 O
• SMILES: [Cu]12([N](=Cc3c(O1)c(Br)cc(Br)c3)CC[N]2(CC)CC)N=N#N
• Title of publication: Azido{2,4-dibromo-6-[2-(diethylamino)ethyliminomethyl]phenolato}copper(II)
• Authors of publication: Kun Li; Hong Zhang; Xiao-Na Wang; Jin-Yong Peng; Yun-Peng Diao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2271 - m2271
• a: 10.996 ± 0.002 Å
• b: 11.635 ± 0.002 Å
• c: 13.33 ± 0.003 Å
• α: 90°
• β: 100.74 ± 0.03°
• γ: 90°
• Cell volume: 1675.5 ± 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: 0.0768
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes