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Information card for entry 1552270
Preview
| Coordinates | 1552270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Er2C2@C2-C90 Ni(OEP) |
|---|---|
| Chemical name | Er2C2@C2-C90 Ni(OEP) |
| Formula | C128 H44 Er2 N4 Ni S0 |
| Calculated formula | C128 H44 Er1.9992 N4 Ni |
| Title of publication | Crystallographic characterization of Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(43)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(40)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(44)-C<sub>90</sub>, and Er<sub>2</sub>C<sub>2</sub>@C<sub>1</sub>(21)-C<sub>90</sub>: the role of cage-shape on cluster configuration. |
| Authors of publication | Hu, Shuaifeng; Shen, Wangqiang; Zhao, Pei; Xu, Ting; Slanina, Zdeněk; Ehara, Masahiro; Zhao, Xiang; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing |
| Journal of publication | Nanoscale |
| Year of publication | 2019 |
| Journal volume | 11 |
| Journal issue | 37 |
| Pages of publication | 17319 - 17326 |
| a | 24.3837 ± 0.0006 Å |
| b | 17.8891 ± 0.0005 Å |
| c | 18.9805 ± 0.0005 Å |
| α | 90° |
| β | 90.101 ± 0.001° |
| γ | 90° |
| Cell volume | 8279.3 ± 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 | 0.1293 |
| Residual factor for significantly intense reflections | 0.1131 |
| Weighted residual factors for significantly intense reflections | 0.2817 |
| Weighted residual factors for all reflections included in the refinement | 0.2965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.82654 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 224657 (current) | 2019-11-08 | cif/ Updating files of 1552267, 1552268, 1552269, 1552270 Original log message: Adding full bibliography for 1552267--1552270.cif. |
1552270.cif |
| 217767 | 2019-08-28 | cif/ Adding structures of 1552267, 1552268, 1552269, 1552270 via cif-deposit CGI script. |
1552270.cif |
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structural data.