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Information card for entry 7004385
Preview
| Coordinates | 7004385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C114 H174 Cl4 K2 N6 O6 Y2 |
|---|---|
| Calculated formula | C114 H174 Cl4 K2 N6 O6 Y2 |
| SMILES | [K+].[Y]1([N](=CC(=CN1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)([O]1CCCC1)(Cl)Cl.O(CC)CC.O(CC)CC |
| Title of publication | Syntheses, structures and reactions of a series of β-diketiminatoyttrium compounds |
| Authors of publication | Wei, Xuehong; Cheng, Yanxiang; Hitchcock, Peter B.; Lappert, Michael F. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 38 |
| Pages of publication | 5235 - 5246 |
| a | 12.949 ± 0.0001 Å |
| b | 14.4721 ± 0.0002 Å |
| c | 17.0897 ± 0.0002 Å |
| α | 70.257 ± 0.001° |
| β | 73.489 ± 0.001° |
| γ | 81.903 ± 0.001° |
| Cell volume | 2886.47 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.1015 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| 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 |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7004385.cif |
| 179747 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/43. |
7004385.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004385.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004385.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004385.cif |
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