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Information card for entry 4120501
Preview
Coordinates | 4120501.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H37 B2 F8 Fe N7 O S |
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Calculated formula | C34 H37 B2.0005 F8.002 Fe N7 O S |
Title of publication | Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres. |
Authors of publication | Widger, Leland R.; Davies, Casey G.; Yang, Tzuhsiung; Siegler, Maxime A.; Troeppner, Oliver; Jameson, Guy N. L.; Ivanović-Burmazović, Ivana; Goldberg, David P. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 7 |
Pages of publication | 2699 - 2702 |
a | 12.7152 ± 0.0003 Å |
b | 17.1863 ± 0.0003 Å |
c | 17.3225 ± 0.0004 Å |
α | 89.9635 ± 0.0017° |
β | 81.5135 ± 0.0019° |
γ | 81.8096 ± 0.0018° |
Cell volume | 3705 ± 0.14 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0552 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0995 |
Weighted residual factors for all reflections included in the refinement | 0.1072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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