Information card for entry 2216369

Structure parameters

• Chemical name: <i>catena</i>-Poly[[{2-[2-(isopropylamino)ethyliminomethyl]-4-\ nitrophenolato}copper(II)]-μ-chlorido]
• Formula: C12 H16 Cl Cu N3 O3
• Calculated formula: C12 H16 Cl Cu N3 O3
• SMILES: [Cu]12([N](=Cc3c(O1)ccc(N(=O)=O)c3)CC[NH]2C(C)C)Cl
• Title of publication: <i>catena</i>-Poly[[{2-[2-(isopropylamino)ethyliminomethyl]-4-nitrophenolato}copper(II)]-μ-chlorido]
• Authors of publication: Li-Juan Ye; Zhonglu You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3137 - m3137
• a: 9.762 ± 0.001 Å
• b: 6.415 ± 0.001 Å
• c: 22.611 ± 0.003 Å
• α: 90°
• β: 94.353 ± 0.002°
• γ: 90°
• Cell volume: 1411.9 ± 0.3 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: 0.0539
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes