Information card for entry 2225460

Structure parameters

• Chemical name: {2-[2-(Ethylamino)ethyliminomethyl]-5-methoxyphenolato}(thiocyanato-κ<i>N</i>) copper(II)
• Formula: C13 H17 Cu N3 O2 S
• Calculated formula: C13 H17 Cu N3 O2 S
• SMILES: [Cu]12(Oc3cc(OC)ccc3C=[N]1CC[NH]2CC)N=C=S
• Title of publication: {2-[2-(Ethylamino)ethyliminomethyl]-5-methoxyphenolato}(thiocyanato-κ<i>N</i>)copper(II)
• Authors of publication: Zhu, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m419
• a: 12.296 ± 0.006 Å
• b: 10.582 ± 0.005 Å
• c: 12.48 ± 0.006 Å
• α: 90°
• β: 113.81 ± 0.007°
• γ: 90°
• Cell volume: 1485.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0812
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes