Information card for entry 2212950

Structure parameters

• Chemical name: Bis[N,N-diisobutyl-N'-(2-thienylcarbonyl)thioureato]copper(II)
• Formula: C28 H42 Cu N4 O2 S4
• Calculated formula: C28 H42 Cu N4 O2 S4
• Title of publication: Bis[<i>N</i>,<i>N</i>-diisobutyl-<i>N</i>'-(2-thienylcarbonyl)thioureato]copper(II)
• Authors of publication: Ligia R. Gomes.; Luis M. N. B. F. Santos; Schröder, B.; Wagner, Ch.; Low, John N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m956 - m958
• a: 13.1693 ± 0.0006 Å
• b: 13.1693 ± 0.0006 Å
• c: 20.2499 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3511.9 ± 0.4 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes