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Information card for entry 1543382
Preview
Coordinates | 1543382.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H39 B2 Fe N10 |
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Calculated formula | C39 H39 B2 Fe N10 |
SMILES | [Fe]1234([n]5c(cccc5[B](n5[n]1ccc5)(n1[n]3ccc1)c1ccccc1)[B](n1[n]2ccc1)(n1[n]4ccc1)c1ccccc1)Nc1ccc(cc1)C(C)(C)C |
Title of publication | Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand |
Authors of publication | Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent |
Journal of publication | Chemical Science |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 9 |
Pages of publication | 5939 - 5944 |
a | 25.518 ± 0.004 Å |
b | 9.9742 ± 0.0014 Å |
c | 13.8788 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3532.5 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0686 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1218 |
Weighted residual factors for all reflections included in the refinement | 0.1329 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1543382.html
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