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Information card for entry 7117392
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Coordinates | 7117392.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H64 Cu2 F6 N10 O8 S4 |
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Calculated formula | C58 H64 Cu2 F6 N10 O8 S4 |
Title of publication | Side-on cupric-superoxo triplet complexes as competent agents for H-abstraction relevant to the active site of PHM |
Authors of publication | B. N. Sanchez-Eguia; M. Flores-Alamo; M. Orio; I. Castillo |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 11134 |
a | 11.6838 ± 0.0004 Å |
b | 26.1913 ± 0.0011 Å |
c | 15.5908 ± 0.0007 Å |
α | 90° |
β | 111.737 ± 0.004° |
γ | 90° |
Cell volume | 4431.8 ± 0.3 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0999 |
Residual factor for significantly intense reflections | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.1749 |
Weighted residual factors for all reflections included in the refinement | 0.1917 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7117392.html
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