Information card for entry 2227531

Structure parameters

• Chemical name: {<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]propane-1,3- diamine}bis(thiocyanato-κ<i>N</i>)copper(II)
• Formula: C14 H19 Cu N5 S2
• Calculated formula: C14 H19 Cu N5 S2
• Title of publication: {<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]propane-1,3-diamine}bis(thiocyanato-κ<i>N</i>)copper(II)
• Authors of publication: Xue, Ling-Wei; Zhao, Gan-Qing; Han, Yong-Jun; Chen, Li-Hua; Peng, Qin-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1274
• a: 13.723 ± 0.002 Å
• b: 7.238 ± 0.0012 Å
• c: 18.237 ± 0.003 Å
• α: 90°
• β: 103.559 ± 0.002°
• γ: 90°
• Cell volume: 1760.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes