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Information card for entry 4349077
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Coordinates | 4349077.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Sc2O@C78/NiOEP/0.95(bz)0.05(CF) |
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Formula | C119.75 H49.75 Cl0.25 N4 Ni O Sc2 |
Calculated formula | C119.792 H49.792 Cl0.26 N4 Ni O Sc1.994 |
Title of publication | Isomeric Sc<sub>2</sub>O@C<sub>78</sub> Related by a Single-Step Stone-Wales Transformation: Key Links in an Unprecedented Fullerene Formation Pathway. |
Authors of publication | Hao, Yajuan; Tang, Qiangqiang; Li, Xiaohong; Zhang, Meirong; Wan, Yingbo; Feng, Lai; Chen, Ning; Slanina, Zdeněk; Adamowicz, Ludwik; Uhlík, Filip |
Journal of publication | Inorganic chemistry |
Year of publication | 2016 |
Journal volume | 55 |
Journal issue | 21 |
Pages of publication | 11354 - 11361 |
a | 25.2588 ± 0.0008 Å |
b | 14.9157 ± 0.0005 Å |
c | 19.5163 ± 0.0006 Å |
α | 90° |
β | 92.305 ± 0.001° |
γ | 90° |
Cell volume | 7346.9 ± 0.4 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 7 |
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 | 0.143 |
Residual factor for significantly intense reflections | 0.0905 |
Weighted residual factors for significantly intense reflections | 0.1912 |
Weighted residual factors for all reflections included in the refinement | 0.2173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4349077.html
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Users of the data should acknowledge the original authors of the
structural data.