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Information card for entry 1550948
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Coordinates | 1550948.cif |
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Original paper (by DOI) | HTML |
Common name | Eu@C2(13)-C80 Ni(OEP) |
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Chemical name | Eu@C2(13)-C80 Ni(OEP) |
Formula | C130.05 H53.66 Eu N4 Ni S0.78 |
Calculated formula | C130.05 H53.66 Eu1.0002 N4 Ni S0.78 |
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 | 25.3346 ± 0.0008 Å |
b | 15.1339 ± 0.0005 Å |
c | 19.9751 ± 0.0006 Å |
α | 90° |
β | 95.659 ± 0.001° |
γ | 90° |
Cell volume | 7621.4 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.0945 |
Residual factor for significantly intense reflections | 0.0871 |
Weighted residual factors for significantly intense reflections | 0.2217 |
Weighted residual factors for all reflections included in the refinement | 0.2284 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.6525 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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214802 (current) | 2019-04-27 | cif/ Adding structures of 1550947, 1550948, 1550949, 1550950 via cif-deposit CGI script. |
1550948.cif |
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Users of the data should acknowledge the original authors of the
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