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Information card for entry 4035949
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Coordinates | 4035949.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Me-NHC |
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Chemical name | Me-NHC |
Formula | C107 H38 Lu3 N3 S0 |
Calculated formula | C107 H38 Lu3 N3 |
Title of publication | Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance. |
Authors of publication | Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 2 |
Pages of publication | 606 - 612 |
a | 20.132 ± 0.005 Å |
b | 20.735 ± 0.005 Å |
c | 14.696 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90.598 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 6134 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1017 |
Residual factor for significantly intense reflections | 0.0631 |
Weighted residual factors for significantly intense reflections | 0.1429 |
Weighted residual factors for all reflections included in the refinement | 0.1705 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4035949.html
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