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Information card for entry 1507933
Preview
Coordinates | 1507933.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C83 H100 I4 N4 P4 Si4 U2 |
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Calculated formula | C62 H76 I4 N4 P4 Si4 U2 |
SMILES | [U]123(I)([N]([Si](C)(C)C)=P(C1=P(N3[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[I][U]13(I)([I]2)[N]([Si](C)(C)C)=P(C1=P(N3[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | A delocalized arene-bridged diuranium single-molecule magnet. |
Authors of publication | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. |
Journal of publication | Nature chemistry |
Year of publication | 2011 |
Journal volume | 3 |
Journal issue | 6 |
Pages of publication | 454 - 460 |
a | 35.693 ± 0.007 Å |
b | 12.776 ± 0.002 Å |
c | 21.448 ± 0.004 Å |
α | 90° |
β | 121.351 ± 0.003° |
γ | 90° |
Cell volume | 8353 ± 3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1121 |
Residual factor for significantly intense reflections | 0.0915 |
Weighted residual factors for significantly intense reflections | 0.2588 |
Weighted residual factors for all reflections included in the refinement | 0.2702 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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