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Information card for entry 4315088
Preview
| Coordinates | 4315088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C47 H88 N5 O2 Si4 Y |
|---|---|
| Calculated formula | C47 H88 N5 O2 Si4 Y |
| SMILES | [Y](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1.O1CCCC1 |
| Title of publication | Rare-Earth Metal Alkyl, Amido, and Cyclopentadienyl Complexes Supported by Imidazolin-2-iminato Ligands: Synthesis, Structural Characterization, and Catalytic Application |
| Authors of publication | Alexandra G. Trambitas; Tarun K. Panda; Jelena Jenter; Peter W. Roesky; Constantin Daniliuc; Cristian G. Hrib; Peter G. Jones; Matthias Tamm |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 2435 - 2446 |
| a | 12.2968 ± 0.0016 Å |
| b | 13.1799 ± 0.0018 Å |
| c | 17.669 ± 0.002 Å |
| α | 85.783 ± 0.005° |
| β | 84.522 ± 0.005° |
| γ | 77.737 ± 0.005° |
| Cell volume | 2781.3 ± 0.6 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.075 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4315088.cif |
| 179230 | 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 4/31/50. |
4315088.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315088.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315088.cif |
| 8231 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4315088 via cif-deposit CGI script. |
4315088.cif |
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