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Information card for entry 7004530
Preview
| Coordinates | 7004530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C70 H84 N5 O2 Si2 Y |
|---|---|
| Calculated formula | C70 H84 N5 O2 Si2 Y |
| Title of publication | Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands |
| Authors of publication | Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 43 |
| Pages of publication | 5930 - 5944 |
| a | 11.787 ± 0.003 Å |
| b | 13.395 ± 0.003 Å |
| c | 40.333 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6368 ± 3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.061 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.7107 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. |
7004530.cif |
| 179749 | 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 7/00/45. |
7004530.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004530.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004530.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. | 7004530.cif |
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Users of the data should acknowledge the original authors of the
structural data.