Information card for entry 7105283

Structure parameters

• Formula: C32 H46 Cu2 F12 N6 O8 P2 S2
• Calculated formula: C32 H42 Cu2 F12 N6 O8 P2 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: 8.06 ± 0.004 Å
• b: 11.747 ± 0.005 Å
• c: 12.667 ± 0.004 Å
• α: 73.57 ± 0.015°
• β: 72.596 ± 0.016°
• γ: 81.126 ± 0.017°
• Cell volume: 1094.5 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No