Information card for entry 2212610

Structure parameters

• Chemical name: (N,N,N',N'',N''-Pentamethyldiethylenetriamine-κ^3^N,N',N'')(trithiocyanurato- κ^2^N,S)zinc(II)
• Formula: C12 H24 N6 S3 Zn
• Calculated formula: C12 H24 N6 S3 Zn
• SMILES: [Zn]123(N4C(=S)NC(=S)N=C4S1)[N](CC[N]2(CC[N]3(C)C)C)(C)C
• Title of publication: (<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''-Pentamethyldiethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trithiocyanurato-κ^2^<i>N</i>,<i>S</i>)zinc(II)
• Authors of publication: Marek, Jaromír; Trávníček, Zdeněk; Čermáková, Šárka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m725 - m727
• a: 12.6748 ± 0.001 Å
• b: 9.3292 ± 0.0007 Å
• c: 16.2528 ± 0.0017 Å
• α: 90°
• β: 111.694 ± 0.01°
• γ: 90°
• Cell volume: 1785.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes