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Information card for entry 4075199
Preview
| Coordinates | 4075199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H56 Cl Li N2 Si2 Yb |
|---|---|
| Calculated formula | C38 H56 Cl Li N2 Si2 Yb |
| SMILES | [Yb]1234567([Cl][Li]89[N]%10(CCC%118[CH]9=C(C8C%11=C[CH]6=[CH]7C=8)[Si](C)(C)C)CCCCC%10)[N]6(CC[c]73[cH]2[c]1([Si](C)(C)C)[c]15cccc[c]471)CCCCC6 |
| Title of publication | Experimental and Theoretical Evidence for the First Example of an Organolanthanide(II) Compound Having an Indenyl Ligand Bonded to the Metal through the Benzo Ring in η4Hapticity |
| Authors of publication | Wang, Shaowu; Tang, Xinliang; Vega, Andres; Saillard, Jean-Yves; Sheng, Enhong; Yang, Gaosheng; Zhou, Shuangliu; Huang, Zixiang |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 10 |
| Pages of publication | 2399 |
| a | 11.8171 ± 0.0002 Å |
| b | 13.1286 ± 0.0002 Å |
| c | 14.4153 ± 0.0002 Å |
| α | 72.813 ± 0.001° |
| β | 70.439 ± 0.001° |
| γ | 75.367 ± 0.001° |
| Cell volume | 1983.68 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178640 (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 4/07/51. |
4075199.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075199.cif |
| 49115 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075199 via cif-deposit CGI script. |
4075199.cif |
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Users of the data should acknowledge the original authors of the
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