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Information card for entry 1552269
Preview
| Coordinates | 1552269.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Er2C2@C2-C90 Ni(OEP) |
|---|---|
| Chemical name | Er2C2@C2-C90 Ni(OEP) |
| Formula | C134 H50 Er2 N4 Ni S0 |
| Calculated formula | C134 H50 Er2 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 | 24.2849 ± 0.0017 Å |
| b | 18.2618 ± 0.0013 Å |
| c | 18.5731 ± 0.0013 Å |
| α | 90° |
| β | 91.612 ± 0.003° |
| γ | 90° |
| Cell volume | 8233.6 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.12 |
| Residual factor for significantly intense reflections | 0.1084 |
| Weighted residual factors for significantly intense reflections | 0.3211 |
| Weighted residual factors for all reflections included in the refinement | 0.3296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1552269.cif |
| 217767 | 2019-08-28 | cif/ Adding structures of 1552267, 1552268, 1552269, 1552270 via cif-deposit CGI script. |
1552269.cif |
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Users of the data should acknowledge the original authors of the
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