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Information card for entry 2312668
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| Coordinates | 2312668.cif |
|---|---|
| Structure factors | 2312668.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>tert</i>-Butoxido)chloridopentakis(tetrahydrofuran)lanthanide(III) tetraphenylborate tetrahydrofuran disolvate |
|---|---|
| Formula | C56 H85 B Ce Cl O8 |
| Calculated formula | C56 H85 B Ce Cl O8 |
| Title of publication | Structural comparison of [Ce(O<sup>t</sup>Bu)Cl(THF)<sub>5</sub>](BPh<sub>4</sub>) to smaller rare earth analogues. |
| Authors of publication | Thomas, Jarrod R.; Sarma, Kavisha A.; Giansiracusa, Marcus J.; Sulway, Scott A. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 11 |
| Pages of publication | 761 - 765 |
| a | 13.6042 ± 0.0013 Å |
| b | 12.5699 ± 0.0011 Å |
| c | 32.334 ± 0.003 Å |
| α | 90° |
| β | 90.041 ± 0.004° |
| γ | 90° |
| Cell volume | 5529.2 ± 0.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0671 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296767 (current) | 2024-12-07 | cif/ Updating files of 2312668, 2312669 Original log message: Adding full bibliography for 2312668--2312669.cif. |
2312668.cif 2312668.hkl |
| 295659 | 2024-10-29 | cif/ hkl/ Adding structures of 2312668, 2312669 via cif-deposit CGI script. |
2312668.cif 2312668.hkl |
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Users of the data should acknowledge the original authors of the
structural data.