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Information card for entry 7046030
Preview
| Coordinates | 7046030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H54 Al2 Li2 N2 O2 |
|---|---|
| Calculated formula | C46 H54 Al2 Li2 N2 O2 |
| Title of publication | Schiff-base -ate derivatives with main group metals: generation of a tripodal aluminate metalloligand. |
| Authors of publication | García-Valle, Francisco M; Tabernero, Vanessa; Cuenca, Tomás; Cano, Jesús; Mosquera, Marta E. G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 18 |
| Pages of publication | 6499 - 6506 |
| a | 11.1067 ± 0.0012 Å |
| b | 8.8238 ± 0.0011 Å |
| c | 22.6234 ± 0.0019 Å |
| α | 90° |
| β | 94.21 ± 0.007° |
| γ | 90° |
| Cell volume | 2211.2 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1097 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1401 |
| Weighted residual factors for all reflections included in the refinement | 0.1609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| 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 |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7046030.cif |
| 229871 | 2019-11-17 | cif/ Updating files of 7046030, 7046031, 7046032 Original log message: Adding full bibliography for 7046030--7046032.cif. |
7046030.cif |
| 207325 | 2018-04-13 | cif/ Adding structures of 7046030, 7046031, 7046032 via cif-deposit CGI script. |
7046030.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.