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Information card for entry 1572273
Preview
| Coordinates | 1572273.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H110 N2 O Tm |
|---|---|
| Calculated formula | C76 H110 N2 O Tm |
| Title of publication | δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes. |
| Authors of publication | MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 37 |
| Pages of publication | 15160 - 15169 |
| a | 13.1863 ± 0.0002 Å |
| b | 24.2869 ± 0.0003 Å |
| c | 21.3806 ± 0.0003 Å |
| α | 90° |
| β | 95.8291 ± 0.0015° |
| γ | 90° |
| Cell volume | 6811.82 ± 0.16 Å3 |
| Cell temperature | 99.98 ± 0.1 K |
| Ambient diffraction temperature | 99.98 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0362 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295169 (current) | 2024-10-06 | cif/ Updating files of 1572261, 1572262, 1572263, 1572264, 1572265, 1572266, 1572267, 1572268, 1572269, 1572270, 1572271, 1572272, 1572273, 1572274, 1572275 Original log message: Adding full bibliography for 1572261--1572275.cif. |
1572273.cif |
| 293955 | 2024-08-06 | cif/ Adding structures of 1572261, 1572262, 1572263, 1572264, 1572265, 1572266, 1572267, 1572268, 1572269, 1572270, 1572271, 1572272, 1572273, 1572274, 1572275 via cif-deposit CGI script. |
1572273.cif |
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Users of the data should acknowledge the original authors of the
structural data.