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Information card for entry 1550947
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Coordinates | 1550947.cif |
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Original paper (by DOI) | HTML |
Common name | Eu@C2(5)-C82 Ni(OEP) 2(C6H6) |
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Chemical name | Eu@C2(5)-C82 Ni(OEP) 2(C6H6) |
Formula | C130 H56 Eu N4 Ni |
Calculated formula | C130 H56 Eu0.9999 N4 Ni |
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 | 25.236 ± 0.002 Å |
b | 15.0375 ± 0.0014 Å |
c | 19.8277 ± 0.0019 Å |
α | 90° |
β | 94.385 ± 0.001° |
γ | 90° |
Cell volume | 7502.3 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1018 |
Residual factor for significantly intense reflections | 0.0873 |
Weighted residual factors for significantly intense reflections | 0.2504 |
Weighted residual factors for all reflections included in the refinement | 0.2663 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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. |
1550947.cif |
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