Information card for entry 2213960

Structure parameters

• Chemical name: (μ~3~-Trithiocyanurato-κ^6^<i>N^1^</i>,<i>S^2^</i>:<i>N^3^</i>,<i>S^4^</i>: <i>N^5^</i>,<i>S^6^</i>)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>)copper(II)] tris(perchlorate)
• Formula: C30 H69 Cl3 Cu3 N12 O12 S3
• Calculated formula: C30 H69 Cl3 Cu3 N12 O12 S3
• 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>'')copper(II)] tris(perchlorate)
• Authors of publication: Trávníček, Zdeněk; Marek, Jaromír; Čermáková, Šárka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1742 - m1743
• a: 17.359 ± 0.0004 Å
• b: 17.359 ± 0.0004 Å
• c: 17.359 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5230.9 ± 0.2 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: 0.0539
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes