Information card for entry 7105284

Structure parameters

• Formula: C26 H27.5 Cl2 Cu2 N6 O12.75 S2
• Calculated formula: C26 H26.5 Cl2 Cu2 N6 O12.75 S2
• Title of publication: Autoxidation of thiol-containing amino acid to its disulfide derivative that links two copper(II) centers: the important role of auxiliary ligand.
• Authors of publication: Seko, Hiroyuki; Tsuge, Kiyoshi; Igashira-Kamiyama, Asako; Kawamoto, Tatsuya; Konno, Takumi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 1962 - 1964
• a: 9.2122 ± 0.0016 Å
• b: 10.061 ± 0.0017 Å
• c: 19.077 ± 0.003 Å
• α: 97.466 ± 0.003°
• β: 100.634 ± 0.004°
• γ: 99.365 ± 0.003°
• Cell volume: 1691.2 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2105
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.3127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No