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Information card for entry 4118067
Preview
| Coordinates | 4118067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C38 H44 N2 P2 Si2 |
|---|---|
| Calculated formula | C38 H44 N2 P2 Si2 |
| SMILES | C(=C\c1ccccc1)(/P(c1ccccc1)(c1ccccc1)=N[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=N[Si](C)(C)C |
| Title of publication | Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds |
| Authors of publication | David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2012 |
| Journal volume | 134 |
| Pages of publication | 10047 - 10054 |
| a | 9.8882 ± 0.0002 Å |
| b | 11.5087 ± 0.0003 Å |
| c | 16.2479 ± 0.0004 Å |
| α | 88.2809 ± 0.0018° |
| β | 83.0033 ± 0.0019° |
| γ | 79.295 ± 0.002° |
| Cell volume | 1803.26 ± 0.08 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0293 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0743 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4118067.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4118067.cif |
| 178951 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/80. |
4118067.cif |
| 75212 | 2013-03-08 | cif/ Adding structures of 4118067 via cif-deposit CGI script. |
4118067.cif |
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Users of the data should acknowledge the original authors of the
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