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Information card for entry 4133575
Preview
Coordinates | 4133575.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H69 Fe N P2 |
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Calculated formula | C45 H69 Fe N P2 |
Title of publication | Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex. |
Authors of publication | Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 50 |
Pages of publication | 17413 - 17417 |
a | 23.62428 ± 0.00011 Å |
b | 23.62428 ± 0.00011 Å |
c | 15.31409 ± 0.00013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8546.89 ± 0.09 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 5 |
Space group number | 82 |
Hermann-Mauguin space group symbol | I -4 |
Hall space group symbol | I -4 |
Residual factor for all reflections | 0.0419 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.1095 |
Weighted residual factors for all reflections included in the refinement | 0.1119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/4133575.html
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Users of the data should acknowledge the original authors of the
structural data.