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Information card for entry 7242206
Preview
| Coordinates | 7242206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Tetrapropylammonium vanadium(v)bis-hydroxyiminodiacetate |
|---|---|
| Formula | C20 H36 N3 O10 V |
| Calculated formula | C20 H36 N3 O10 V |
| SMILES | [V]123456(OC(=O)C[N]5(O2)CC(=O)O1)OC(=O)C[N]6(O4)CC(=O)O3.[N+](CCC)(CCC)(CCC)CCC |
| 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 | 9.5136 ± 0.0008 Å |
| b | 11.4193 ± 0.001 Å |
| c | 13.5999 ± 0.0011 Å |
| α | 67.468 ± 0.002° |
| β | 79.634 ± 0.002° |
| γ | 67.087 ± 0.002° |
| Cell volume | 1256.19 ± 0.18 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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. |
7242206.cif |
| 261335 | 2021-01-31 | cif/ Adding structures of 7242205, 7242206, 7242207, 7242208 via cif-deposit CGI script. |
7242206.cif |
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Users of the data should acknowledge the original authors of the
structural data.