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Information card for entry 4310562
Preview
| Coordinates | 4310562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [{CeCl(thf)(N(SiMe3)2)2}2] |
|---|---|
| Formula | C32 H88 Ce2 Cl2 N4 O2 Si8 |
| Calculated formula | C32 H88 Ce2 Cl2 N4 O2 Si8 |
| SMILES | [O]1([Ce]2([Cl][Ce]([O]3CCCC3)([Cl]2)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CCCC1 |
| Title of publication | Oxidation in Nonclassical Organolanthanide Chemistry: Synthesis, Characterization, and X-ray Crystal Structures of Cerium(III) and -(IV) Amides |
| Authors of publication | Peter B. Hitchcock; Alexander G. Hulkes; Michael F. Lappert |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 1031 - 1038 |
| a | 14.506 ± 0.003 Å |
| b | 13.065 ± 0.003 Å |
| c | 16.779 ± 0.003 Å |
| α | 90° |
| β | 113.789 ± 0.012° |
| γ | 90° |
| Cell volume | 2909.8 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0876 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1732 |
| Weighted residual factors for all reflections included in the refinement | 0.2199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.824 |
| 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 |
|---|---|---|---|
| 179144 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/05. |
4310562.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310562.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310562.cif |
| 2050 | 2010-11-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4310562 via cif-deposit CGI script. |
4310562.cif |
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Users of the data should acknowledge the original authors of the
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