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Information card for entry 1568048
Preview
| Coordinates | 1568048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [{Nd(Cp'')2(uI)}2] |
|---|---|
| Formula | C44 H84 I2 Nd2 Si8 |
| Calculated formula | C44 H84 I2 Nd2 Si8 |
| Title of publication | Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes. |
| Authors of publication | Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P. |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 3 |
| Pages of publication | 621 - 634 |
| a | 10.7367 ± 0.0003 Å |
| b | 11.5169 ± 0.0003 Å |
| c | 13.3589 ± 0.0004 Å |
| α | 73.257 ± 0.003° |
| β | 83.329 ± 0.002° |
| γ | 78.423 ± 0.002° |
| Cell volume | 1546.66 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283191 (current) | 2023-05-05 | cif/ Updating files of 1568047, 1568048, 1568049, 1568050, 1568051, 1568052, 1568053, 1568054, 1568055 Original log message: Adding full bibliography for 1568047--1568055.cif. |
1568048.cif |
| 279742 | 2022-12-07 | cif/ Adding structures of 1568047, 1568048, 1568049, 1568050, 1568051, 1568052, 1568053, 1568054, 1568055 via cif-deposit CGI script. |
1568048.cif |
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Users of the data should acknowledge the original authors of the
structural data.