Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071840
Preview
| Coordinates | 4071840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H100 Cl3 Li O9 Si2 U2 |
|---|---|
| Calculated formula | C56 H100 Cl3 Li O9 Si2 U2 |
| SMILES | [U]123456789%10([Cl][U]%11%12%13%14%15%16%17%18%19(Cl)(O1)[c]1([Si](C)(C)[c]%20%14[c]%15([c]%18([c]%16([c]%17%20C)C)C)C)[c]%19([c]%11([c]%12([c]%131C)C)C)C)(Cl)[c]1([Si](C)(C)[c]%115[c]6([c]7([c]8([c]9%11C)C)C)C)[c]2([c]%10([c]3([c]41C)C)C)C.[O]1(C)CC[O](C)[Li]231([O](C)CC[O]2C)[O](C)CC[O]3C.COCCOC |
| Title of publication | Coordinative Unsaturation versus Oxophilicity:ansaDimethylsilyl Oxo-Bridged Uranium Metallocenes. Synthesis, Structures, and Unexpected Catalytic Activity with Alkynes and Silanes |
| Authors of publication | Wang, Jiaxi; Gurevich, Ylia; Botoshansky, Mark; Eisen, Moris S. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 17 |
| Pages of publication | 4494 |
| a | 34.896 ± 0.007 Å |
| b | 9.601 ± 0.002 Å |
| c | 39.433 ± 0.008 Å |
| α | 90° |
| β | 103.36 ± 0.03° |
| γ | 90° |
| Cell volume | 12854 ± 5 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1356 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.819 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178607 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/18. |
4071840.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071840.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071840.cif |
| 44072 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071840 via cif-deposit CGI script. |
4071840.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.