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Information card for entry 7707891
Preview
| Coordinates | 7707891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H99 O2 P2 Si6 U |
|---|---|
| Calculated formula | C57 H99 O2 P2 Si6 U |
| SMILES | [U]12345678([O]=P(C)(C)C)([O]=P(C)(C)C)([c]9([cH]1[c]2([Si](C)(C)C)[cH]3[cH]49)[Si](C)(C)C)[c]1([cH]5[c]6([cH]7[cH]81)[Si](C)(C)C)[Si](C)(C)C.[Si](c1[cH-]c([Si](C)(C)C)cc1)(C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Synthesis and reactivity of the uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>): influence of the coordinated Lewis base. |
| Authors of publication | Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 36 |
| Pages of publication | 12502 - 12516 |
| a | 12.133 ± 0.0001 Å |
| b | 25.2117 ± 0.0002 Å |
| c | 22.3666 ± 0.0002 Å |
| α | 90° |
| β | 101.984 ± 0.001° |
| γ | 90° |
| Cell volume | 6692.69 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| 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 |
|---|---|---|---|
| 269716 (current) | 2021-10-06 | cif/ Updating files of 7707884, 7707885, 7707886, 7707887, 7707888, 7707889, 7707890, 7707891 Original log message: Adding full bibliography for 7707884--7707891.cif. |
7707891.cif |
| 267772 | 2021-07-28 | cif/ Adding structures of 7707884, 7707885, 7707886, 7707887, 7707888, 7707889, 7707890, 7707891 via cif-deposit CGI script. |
7707891.cif |
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