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Information card for entry 7054700
Preview
| Coordinates | 7054700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H32 Be2 N4 O6 |
|---|---|
| Calculated formula | C32 H32 Be2 N4 O6 |
| SMILES | [Be]123Oc4ccccc4C=[N]2CC[N]2=Cc4ccccc4O[Be]42Oc2ccccc2C=[N]4CC[N]3=Cc2ccccc2O1.O.O |
| Title of publication | Tetradentate Schiff base beryllium complexes |
| Authors of publication | Reglinski, John; Kennedy, Alan R.; Steel, Graham |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 4 |
| Pages of publication | 2437 |
| a | 8.5367 ± 0.0006 Å |
| b | 8.8067 ± 0.0006 Å |
| c | 10.1596 ± 0.0007 Å |
| α | 106.505 ± 0.006° |
| β | 92.538 ± 0.006° |
| γ | 97.889 ± 0.006° |
| Cell volume | 722.6 ± 0.09 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 | 0.0485 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7054700.cif |
| 180101 | 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 7/05/47. |
7054700.cif |
| 135070 | 2015-04-06 | cif/ Updating files of 7054700, 7054701 Original log message: Adding full bibliography for 7054700--7054701.cif. |
7054700.cif |
| 132116 | 2015-02-20 | cif/ Adding structures of 7054700, 7054701 via cif-deposit CGI script. |
7054700.cif |
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Users of the data should acknowledge the original authors of the
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