Information card for entry 2015046

Structure parameters

• Chemical name: catena-Poly[[{4-bromo-2-[2- (dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-azido]
• Formula: C11 H14 Br Cu N5 O
• Calculated formula: C11 H14 Br Cu N5 O
• SMILES: [Cu]12(Oc3ccc(Br)cc3C=[N]1CC[N]2(C)C)N=N#N
• Title of publication: <i>catena</i>-Poly[[{4-bromo-2-[2-(dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-azido]
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m339 - m341
• a: 12.076 ± 0.002 Å
• b: 6.757 ± 0.002 Å
• c: 17.875 ± 0.002 Å
• α: 90°
• β: 101.88 ± 0.01°
• γ: 90°
• Cell volume: 1427.3 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes