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Information card for entry 1507936
Preview
Coordinates | 1507936.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H55 Cl3 N2 O2 P2 Si2 U |
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Calculated formula | C39 H55 Cl3 N2 O2 P2 Si2 U |
SMILES | [U]1([N]([Si](C)(C)C)=P(c2ccccc2)(c2ccccc2)C=P(c2ccccc2)(c2ccccc2)N1[Si](C)(C)C)(Cl)(Cl)(Cl)[O]1CCCC1.O1CCCC1 |
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 | 10.399 ± 0.0009 Å |
b | 12.5771 ± 0.0011 Å |
c | 17.9435 ± 0.0016 Å |
α | 85.865 ± 0.002° |
β | 84.843 ± 0.002° |
γ | 66.167 ± 0.002° |
Cell volume | 2136.4 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0482 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0691 |
Weighted residual factors for all reflections included in the refinement | 0.074 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1507936.html
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