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Information card for entry 4106512
Preview
Coordinates | 4106512.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 09197a |
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Formula | C17 H35 F6 Fe N7 O6 S2 |
Calculated formula | C17 H35 F6 Fe N7 O6 S2 |
SMILES | [Fe]12([N](CC[N]1(CC[N]2=C(N(C)C)N(C)C)C)=C(N(C)C)N(C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F |
Title of publication | A More Reactive Trigonal-Bipyramidal High-Spin Oxoiron(IV) Complex with a cis-Labile Site |
Authors of publication | Jason England; Yisong Guo; Katherine M. Van Heuvelen; Matthew A. Cranswick; Gregory T. Rohde; Emile L. Bominaar; Eckard Münck; Lawrence Que |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 11880 - 11883 |
a | 18.512 ± 0.003 Å |
b | 9.1559 ± 0.0014 Å |
c | 17.378 ± 0.003 Å |
α | 90° |
β | 106.291 ± 0.002° |
γ | 90° |
Cell volume | 2827.2 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0581 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4106512.html
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