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Information card for entry 1550950
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Coordinates | 1550950.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Eu@C2(5)-C82-W |
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Chemical name | Eu@C2(5)-C82-W |
Formula | C112 H24 Eu O3 P2 S2 W |
Calculated formula | C112 H24 Eu O3 P2 S2 W |
SMILES | [W]12([c]34[c]51c1c6c7c3c3c8c4c4c9c5c5c1c1c%10c%11c5c5c9c9c%12c5c5c%11c%11c%13c%10c%10c%14c1c6c1c6c%14c%14c%15c%16c%17c%18c%14c%10c%13c%10c%13c%11c5c5c%11c%13c(c%18%10)c%10c%17c%13c%14c%17c%18c(c3c(c71)c(c6%15)c%18c%16%13)c1c8c3c4c9c4c(c6c(c(c34)c%171)c%14c%10c%116)c%125)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].[Eu].S=C=S |
Title of publication | Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer |
Authors of publication | Lu, Xing; Bao, Lipiao; Yu, Pengyuan; Li, Ying; Pan, Changwang; Shen, Wangqiang; Jin, Peng; Liang, Shuquan |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 22.367 ± 0.002 Å |
b | 11.2378 ± 0.001 Å |
c | 27.52 ± 0.003 Å |
α | 90° |
β | 112.042 ± 0.001° |
γ | 90° |
Cell volume | 6411.7 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.048 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1207 |
Weighted residual factors for all reflections included in the refinement | 0.1248 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.6525 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1550950.html
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