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Information card for entry 7052036
Preview
| Coordinates | 7052036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H40 N2 O Zn |
|---|---|
| Calculated formula | C30 H40 N2 O Zn |
| SMILES | [Zn]12(CC)[n]3c(cccc3)C[N]1(Cc1ccccc1)Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C |
| Title of publication | Zinc and enolato-magnesium complexes based on bi-, tri- and tetradentate aminophenolate ligands |
| Authors of publication | Zheng, Zhanjiang; Zhao, Gang; Fablet, Rémy; Bouyahyi, Miloud; Thomas, Christophe M.; Roisnel, Thierry; Casagrande Jr, Osvaldo; Carpentier, Jean-François |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2008 |
| Journal volume | 32 |
| Journal issue | 12 |
| Pages of publication | 2279 |
| a | 13.9651 ± 0.0002 Å |
| b | 17.5917 ± 0.0002 Å |
| c | 21.1494 ± 0.0003 Å |
| α | 76.899 ± 0.001° |
| β | 79.383 ± 0.001° |
| γ | 67.288 ± 0.001° |
| Cell volume | 4640.99 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1535 |
| Residual factor for significantly intense reflections | 0.0913 |
| Weighted residual factors for significantly intense reflections | 0.2698 |
| Weighted residual factors for all reflections included in the refinement | 0.2911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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 |
|---|---|---|---|
| 180074 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/20. |
7052036.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052036.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052036.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. | 7052036.cif |
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