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Information card for entry 7115311
Preview
Coordinates | 7115311.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H56 Cl2 N3 O U |
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Calculated formula | C45 H56 Cl2 N3 O U |
SMILES | [U]123456(Cl)(Cl)([N](=C(C)c7[n]1c(ccc7)C(=[N]2c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)[cH]1[cH]3[cH]4[cH]5[c]61C(C)(C)c1ccccc1.O(CC)CC |
Title of publication | Utility of a redox-active pyridine(diimine) chelate in facilitating two electron oxidative addition chemistry at uranium |
Authors of publication | John J. Kiernicki; Phillip E. Fanwick; Suzanne C. Bart |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 8189 |
a | 8.2201 ± 0.0001 Å |
b | 24.8482 ± 0.0005 Å |
c | 20.3997 ± 0.0005 Å |
α | 90° |
β | 92.708 ± 0.001° |
γ | 90° |
Cell volume | 4162.08 ± 0.14 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0814 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.099 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
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/7115311.html
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