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Information card for entry 7003278
Preview
| Coordinates | 7003278.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C77 H80 Li2 O10 Zn |
|---|---|
| Calculated formula | C77 H80 Li2 O10 Zn |
| Title of publication | TADDOLate complexes of zinc |
| Authors of publication | Datta, Simmi; Gamer, Michael T.; Roesky, Peter W. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 13 |
| Pages of publication | 1761 - 1764 |
| a | 11.6597 ± 0.0006 Å |
| b | 15.5812 ± 0.0007 Å |
| c | 19.3475 ± 0.0009 Å |
| α | 90° |
| β | 105.443 ± 0.004° |
| γ | 90° |
| Cell volume | 3388 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7003278.cif |
| 179736 | 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 7/00/32. |
7003278.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003278.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003278.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. | 7003278.cif |
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Users of the data should acknowledge the original authors of the
structural data.