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Information card for entry 7224223
Preview
| Coordinates | 7224223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate |
|---|---|
| Formula | C48 H73 B N4 O3 Pd |
| Calculated formula | C48 H73 B N4 O3 Pd |
| SMILES | C1C[NH]2CC[N](CCCC)(CCCC)[Pd]2([N]1(CCCC)CCCC)N(=O)=O.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCO1 |
| Title of publication | Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature |
| Authors of publication | Hatcher, Lauren E. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 22 |
| Pages of publication | 4180 |
| a | 11.6422 ± 0.0005 Å |
| b | 13.5412 ± 0.0006 Å |
| c | 30.0467 ± 0.0011 Å |
| α | 90° |
| β | 93.985 ± 0.004° |
| γ | 90° |
| Cell volume | 4725.4 ± 0.3 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 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 | 0.0913 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224223.cif |
| 185167 | 2016-08-07 | cif/ Updating files of 7224206, 7224207, 7224208, 7224209, 7224210, 7224211, 7224212, 7224213, 7224214, 7224215, 7224216, 7224217, 7224218, 7224219, 7224220, 7224221, 7224222, 7224223, 7224224 Original log message: Adding full bibliography for 7224206--7224224.cif. |
7224223.cif |
| 176392 | 2016-02-12 | cif/ Adding structures of 7224206, 7224207, 7224208, 7224209, 7224210, 7224211, 7224212, 7224213, 7224214, 7224215, 7224216, 7224217, 7224218, 7224219, 7224220, 7224221, 7224222, 7224223, 7224224 via cif-deposit CGI script. |
7224223.cif |
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Users of the data should acknowledge the original authors of the
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