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Information card for entry 7101898
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7101898.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 060036 |
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Formula | C11 H23 F6 Fe N3 O6 S2 |
Calculated formula | C11 H23 F6 Fe N3 O6 S2 |
SMILES | [Fe]12([N](C)(C)CC[N]1(C)CC[N]2(C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F |
Title of publication | Non-heme iron(II) complexes are efficient olefin aziridination catalysts |
Authors of publication | Klotz, Katie L.; Slominski, Luke M.; Hull, Anthony V.; Gottsacker, Victoria M.; Mas-Ballesté, Rubén; Que, Jr., Lawrence; Halfen, Jason A. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2007 |
Journal issue | 20 |
Pages of publication | 2063 - 2065 |
a | 13.313 ± 0.002 Å |
b | 10.946 ± 0.002 Å |
c | 15.148 ± 0.003 Å |
α | 90° |
β | 110.86 ± 0.02° |
γ | 90° |
Cell volume | 2062.7 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1056 |
Weighted residual factors for all reflections included in the refinement | 0.1075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7101898.html
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