Information card for entry 2213193

Structure parameters

• Chemical name: μ~3~-Trithiocyanurato-κ^6^N^1^,S^2^:N^3^,S^4^:N^5^,S^6^)tris[(N,N,N',N'',N''- pentamethyldiethylenetriamine-κ^3^N,N',N'')zinc(II)] tris(perchlorate)
• Formula: C30 H69 Cl3 N12 O12 S3 Zn3
• Calculated formula: C30 H69 Cl3 N12 O12 S3 Zn3
• Title of publication: (μ~3~-Trithiocyanurato-κ^6^<i>N</i>^1^,<i>S</i>^2^:<i>N</i>^3^,<i>S</i>^4^:<i>N</i>^5^,<i>S</i>^6^)tris[(<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>'')zinc(II)] tris(perchlorate)
• 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: 5
• Pages of publication: m1411 - m1413
• a: 17.32348 ± 0.00016 Å
• b: 17.32348 ± 0.00016 Å
• c: 17.32348 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5198.83 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes