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Information card for entry 4105598
Preview
Coordinates | 4105598.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H72 Ce Si4 |
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Calculated formula | C88 H72 Ce Si4 |
SMILES | [C]12(=[CH]3[Ce]456789%10%11%12%13%14%151([C]1(=[CH]4[CH]6=[CH]8[CH]%10=[CH]%12[C]%14(=[CH]%151)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C]3(=[CH]5[CH]7=[CH]9[CH]%11=[CH]2%13)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands |
Authors of publication | Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 1257 - 1259 |
a | 13.32 ± 0.001 Å |
b | 17.329 ± 0.002 Å |
c | 16.4549 ± 0.001 Å |
α | 90° |
β | 112.23 ± 0.02° |
γ | 90° |
Cell volume | 3515.9 ± 0.7 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0715 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0601 |
Weighted residual factors for all reflections included in the refinement | 0.0639 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.698 |
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/4105598.html
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Users of the data should acknowledge the original authors of the
structural data.