Information card for entry 4350574

Structure parameters

• Formula: C26 H33 Cl Cu N2 O4.5 S2
• Calculated formula: C25.5 H33 Cl Cu N2 O4.5 S2
• Title of publication: Multifrequency EPR and redox reactivity investigations of a bis(mu-thiolato)-dicopper(II,II) complex.
• Authors of publication: Rammal, Wassim; Belle, Catherine; Béguin, Claude; Duboc, Carole; Philouze, Christian; Pierre, Jean-Louis; Le Pape, Laurent; Bertaina, Sylvain; Saint-Aman, Eric; Torelli, Stéphane
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10355 - 10362
• a: 10.627 ± 0.001 Å
• b: 23.776 ± 0.001 Å
• c: 22.477 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5679.2 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections: 1.908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No