Information card for entry 2230727

Structure parameters

• Chemical name: {<i>N</i>,<i>N</i>-Dimethyl-<i>N'</i>'-[1-(2-pyridyl)ethylidene]ethane- 1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato- κ<i>N</i>)copper(II)
• Formula: C13 H17 Cu N5 S2
• Calculated formula: C13 H17 Cu N5 S2
• SMILES: [Cu]12([n]3ccccc3C(=[N]1CC[N]2(C)C)C)(N=C=S)N=C=S
• Title of publication: {<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)copper(II)
• Authors of publication: Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m930
• a: 10.9895 ± 0.0004 Å
• b: 11.2172 ± 0.0004 Å
• c: 13.7549 ± 0.0005 Å
• α: 81.222 ± 0.002°
• β: 87.121 ± 0.002°
• γ: 79.702 ± 0.002°
• Cell volume: 1648.27 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1275
• 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