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Information card for entry 1548003
Preview
Coordinates | 1548003.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H90 N4 P4 Si4 U |
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Calculated formula | C62 H76 N4 P4 Si4 U |
SMILES | [U]1234([N](=P(C3=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[N](=P(C4P(=[N]2[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C |
Title of publication | The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes |
Authors of publication | Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle |
Journal of publication | Nature Communications |
Year of publication | 2017 |
Journal volume | 8 |
Pages of publication | 14137 |
a | 12.6142 ± 0.0006 Å |
b | 13.8834 ± 0.0005 Å |
c | 21.4347 ± 0.0008 Å |
α | 95.968 ± 0.003° |
β | 101.233 ± 0.003° |
γ | 109.178 ± 0.004° |
Cell volume | 3419.9 ± 0.3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.062 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1315 |
Weighted residual factors for all reflections included in the refinement | 0.1408 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1548003.html
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Users of the data should acknowledge the original authors of the
structural data.