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Information card for entry 7105283
Preview
Coordinates | 7105283.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H46 Cu2 F12 N6 O8 P2 S2 |
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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 Å3 |
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 |
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