Information card for entry 2225872

Structure parameters

• Chemical name: (Dimethylformamide-κ<i>O</i>)[2-methoxy-6-(2- pyridylmethyliminomethyl)phenolato- κ^3^<i>N</i>,<i>N</i>,<i>O</i>^1^](thiocyanato-κ<i>N</i>)copper(II)
• Formula: C18 H20 Cu N4 O3 S
• Calculated formula: C18 H20 Cu N4 O3 S
• Title of publication: (Dimethylformamide-κ<i>O</i>)[2-methoxy-6-(2-pyridylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^](thiocyanato-κ<i>N</i>)copper(II)
• Authors of publication: Bao, Qianqian; Chen, Xiaodan; Rong, Rong; Shi, Feifei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m563
• a: 8.6768 ± 0.0009 Å
• b: 10.931 ± 0.0011 Å
• c: 11.0689 ± 0.0012 Å
• α: 83.251 ± 0.002°
• β: 72.023 ± 0.001°
• γ: 79.53 ± 0.001°
• Cell volume: 979.84 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes