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Information card for entry 7705223
Preview
| Coordinates | 7705223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(1,2,3,4-tetrakis(iso-propyl)cyclopentadienyl)-bis(tert-butyl-isocyano)-iodo-uranium(iv) tetrakis(pentafluorophenyl)borate |
|---|---|
| Formula | C68 H76 B F20 I N2 U |
| Calculated formula | C68 H76 B F20 I N2 U |
| SMILES | [U]12345678(C#[N]C(C)(C)C)([c]9([c]5(C(C)C)[cH]4[c]1([c]89C(C)C)C(C)C)C(C)C)([c]1([c]6([c]2([c]3(C(C)C)[cH]71)C(C)C)C(C)C)C(C)C)C#[N]C(C)(C)C.Fc1c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F.[I-] |
| Title of publication | Isocyanide adducts of tri- and tetravalent uranium metallocenes supported by tetra(isopropyl)cyclopentadienyl ligands. |
| Authors of publication | Boreen, Michael A.; Groß, Oliver A; Hohloch, Stephan; Arnold, John |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 34 |
| Pages of publication | 11971 - 11977 |
| a | 18.2004 ± 0.0004 Å |
| b | 19.9489 ± 0.0003 Å |
| c | 19.6155 ± 0.0004 Å |
| α | 90° |
| β | 111.882 ± 0.002° |
| γ | 90° |
| Cell volume | 6608.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0411 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256104 (current) | 2020-09-06 | cif/ Updating files of 7705221, 7705222, 7705223 Original log message: Adding full bibliography for 7705221--7705223.cif. |
7705223.cif |
| 255469 | 2020-08-20 | cif/ Adding structures of 7705221, 7705222, 7705223 via cif-deposit CGI script. |
7705223.cif |
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