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Information card for entry 1550795
Preview
| Coordinates | 1550795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C128.52 H54.22 N4 Ni S0.59 Y2 |
|---|---|
| Calculated formula | C128.53 H54.236 N4 Ni S0.588 Y1.9998 |
| Title of publication | Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution |
| Authors of publication | Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 25.3744 ± 0.0009 Å |
| b | 15.1207 ± 0.0006 Å |
| c | 19.8806 ± 0.0008 Å |
| α | 90° |
| β | 94.306 ± 0.001° |
| γ | 90° |
| Cell volume | 7606.2 ± 0.5 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 | 0.1235 |
| Residual factor for significantly intense reflections | 0.1156 |
| Weighted residual factors for significantly intense reflections | 0.2949 |
| Weighted residual factors for all reflections included in the refinement | 0.2991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.82653 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214354 (current) | 2019-03-27 | cif/ Adding structures of 1550793, 1550794, 1550795, 1550796, 1550797, 1550798 via cif-deposit CGI script. |
1550795.cif |
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Users of the data should acknowledge the original authors of the
structural data.