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Information card for entry 4125882
Preview
Coordinates | 4125882.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H99 K N2 O6 Pu Si6 |
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Calculated formula | C51 H99 K N2 O6 Pu Si6 |
SMILES | [Pu]123456789%10%11%12([c]%13([cH]1[c]2([Si](C)(C)C)[cH]3[cH]4%13)[Si](C)(C)C)([c]1([Si](C)(C)C)[cH]5[c]6([Si](C)(C)C)[cH]7[cH]81)[c]1([cH]9[c]%10([Si](C)(C)C)[cH]%11[cH]%121)[Si](C)(C)C.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9 |
Title of publication | Identification of the Formal +2 Oxidation State of Plutonium: Synthesis and Characterization of {Pu(II)[C5H3(SiMe3)2]3}(). |
Authors of publication | Windorff, Cory J.; Chen, Guo P.; Cross, Justin N.; Evans, William J.; Furche, Filipp; Gaunt, Andrew J.; Janicke, Michael T.; Kozimor, Stosh A.; Scott, Brian L. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 11 |
Pages of publication | 3970 - 3973 |
a | 12.2131 ± 0.0008 Å |
b | 12.737 ± 0.0008 Å |
c | 22.2524 ± 0.0014 Å |
α | 100.811 ± 0.0007° |
β | 104.37 ± 0.0006° |
γ | 95.5916 ± 0.0007° |
Cell volume | 3255.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0282 |
Residual factor for significantly intense reflections | 0.0235 |
Weighted residual factors for significantly intense reflections | 0.0511 |
Weighted residual factors for all reflections included in the refinement | 0.0526 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4125882.html
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Users of the data should acknowledge the original authors of the
structural data.