Information card for entry 2230660

Structure parameters

• Chemical name: {<i>N</i>-Methyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc(II)
• Formula: C12 H15 N5 S2 Zn
• Calculated formula: C12 H15 N5 S2 Zn
• Title of publication: {<i>N</i>-Methyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc(II)
• Authors of publication: Li, Xian-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m829
• a: 7.6674 ± 0.0003 Å
• b: 14.8062 ± 0.0005 Å
• c: 14.3766 ± 0.0006 Å
• α: 90°
• β: 101.853 ± 0.002°
• γ: 90°
• Cell volume: 1597.3 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes