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Information card for entry 7242207
Preview
| Coordinates | 7242207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Tetra-n-butylammonium vanadium(v)bis-hydroxyiminodiacetate |
|---|---|
| Formula | C26 H47 N4 O10 V |
| Calculated formula | C26 H47 N4 O10 V |
| SMILES | [V]123456(OC(=O)C[N]5(O1)CC(=O)O2)OC(=O)C[N]6(O3)CC(=O)O4.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC |
| Title of publication | Designing high energy density flow batteries by tuning active-material thermodynamics |
| Authors of publication | Pahari, Shyam K.; Gokoglan, Tugba Ceren; Visayas, Benjoe Rey B.; Woehl, Jennifer; Golen, James A.; Howland, Rachael; Mayes, Maricris L.; Agar, Ertan; Cappillino, Patrick J. |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 10 |
| Pages of publication | 5432 - 5443 |
| a | 14.6589 ± 0.0011 Å |
| b | 9.2683 ± 0.0006 Å |
| c | 24.4521 ± 0.0016 Å |
| α | 90° |
| β | 91.334 ± 0.002° |
| γ | 90° |
| Cell volume | 3321.2 ± 0.4 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0597 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242207.cif |
| 261335 | 2021-01-31 | cif/ Adding structures of 7242205, 7242206, 7242207, 7242208 via cif-deposit CGI script. |
7242207.cif |
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Users of the data should acknowledge the original authors of the
structural data.