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Information card for entry 1559846
Preview
| Coordinates | 1559846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C93 H14 S2 U |
|---|---|
| Calculated formula | C93 H14 S2 U |
| SMILES | [U]123456789[c]%10%11[c]%125[c]54[c]43[c]32c2c%13[c]9([c]13C1%11C3CC9CC1CC(C3)C9)[c]18[c]37[c]6%10c6c7c%12c8c5c5c9c4c4c2c2c%10c%13c%11c1c1c%12c3c6c3c6c7c7c8c8c5c5c%13c9c4c4c2c2c%10c9c%11c1c1c%10c%12c3c3c%11c6c7c6c8c5c5c7c%13c4c4c2c2c9c1c1c%10c3c3c%11c6c5c5c7c4c2c1c35.S=C=S |
| Title of publication | Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction. |
| Authors of publication | Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 7 |
| Pages of publication | 2488 - 2497 |
| a | 11.3037 ± 0.0007 Å |
| b | 21.8879 ± 0.0012 Å |
| c | 20.9098 ± 0.0013 Å |
| α | 90° |
| β | 101.257 ± 0.003° |
| γ | 90° |
| Cell volume | 5073.9 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 119.99 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 | 0.1287 |
| Residual factor for significantly intense reflections | 0.0957 |
| Weighted residual factors for significantly intense reflections | 0.2438 |
| Weighted residual factors for all reflections included in the refinement | 0.2823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267091 (current) | 2021-07-05 | cif/ Updating files of 1559845, 1559846 Original log message: Adding full bibliography for 1559845--1559846.cif. |
1559846.cif |
| 262549 | 2021-03-05 | cif/ Updating files of 1559845, 1559846 Original log message: Adding full bibliography for 1559845--1559846.cif. |
1559846.cif |
| 260073 | 2020-12-22 | cif/ Adding structures of 1559845, 1559846 via cif-deposit CGI script. |
1559846.cif |
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Users of the data should acknowledge the original authors of the
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