Information card for entry 2014506

Structure parameters

• Chemical name: Chlorobis[N-(ethoxycarbonyl)-N'-(p-methoxyphenyl)thiourea-κS]copper(I)
• Formula: C22 H28 Cl Cu N4 O6 S2
• Calculated formula: C22 H28 Cl Cu N4 O6 S2
• SMILES: [Cu](Cl)([S]=C(Nc1ccc(OC)cc1)NC(=O)OCC)[S]=C(Nc1ccc(OC)cc1)NC(=O)OCC
• Title of publication: Chlorobis[<i>N</i>-ethoxycarbonyl-<i>N</i>'-(<i>p</i>-methoxyphenyl)thiourea-κ<i>S</i>]copper(I)
• Authors of publication: Su, Bi-Quan; Xian, Liang; Song, Hai-Bin; Sheng, Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m661 - m662
• a: 13.648 ± 0.003 Å
• b: 13.254 ± 0.003 Å
• c: 15.358 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2778.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes