Information card for entry 2227868

Structure parameters

• Chemical name: <i>catena</i>-Poly[[{2-[(2-hydroxyethyl)iminomethyl]-6- methoxyphenolato}copper(II)]-μ-thiocyanato]
• Formula: C11 H12 Cu N2 O3 S
• Calculated formula: C11 H12 Cu N2 O3 S
• SMILES: [Cu]12(Oc3c(cccc3OC)C=[N]1CC[OH]2)N=C=S
• Title of publication: <i>catena</i>-Poly[[{2-[(2-hydroxyethyl)iminomethyl]-6-methoxyphenolato}copper(II)]-μ-thiocyanato]
• Authors of publication: Xue, Ling-Wei; Zhao, Gan-Qing; Han, Yong-Jun; Feng, Yun-Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1172 - m1173
• a: 10.123 ± 0.002 Å
• b: 11.812 ± 0.002 Å
• c: 10.264 ± 0.002 Å
• α: 90°
• β: 94.122 ± 0.002°
• γ: 90°
• Cell volume: 1224.1 ± 0.4 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: 0.0757
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes