Information card for entry 4115220

Structure parameters

• Formula: C32 H38 Cl2 Cu2 N4 O8 S2
• Calculated formula: C32 H38 Cl2 Cu2 N4 O8 S2
• SMILES: [Cu]123[S](CC[N]2(Cc2cccc(c2)C)Cc2[n]1cccc2)[Cu]12[S]3CC[N]2(Cc2cccc(c2)C)Cc2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Interconversion between Bis(μ-thiolato)dicopper(II) and Disulfide-Bridged Dicopper(I) Complexes Mediated by Chloride Ion
• Authors of publication: Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12428 - 12429
• a: 31.929 ± 0.001 Å
• b: 17.606 ± 0.0005 Å
• c: 13.816 ± 0.0003 Å
• α: 90°
• β: 111.289 ± 0.001°
• γ: 90°
• Cell volume: 7236.6 ± 0.3 ų
• Cell temperature: 158.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No