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Information card for entry 1565408
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Coordinates | 1565408.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | TMAVBH |
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Chemical name | Tetramethylammonium vanadium(v)-bis-hydroxyiminodiacetate |
Formula | C12 H25 N3 O12 V |
Calculated formula | C12 H25 N3 O12 V |
SMILES | C1(=O)C[N]23CC(=O)O[V]4563(O1)(O2)[N](CC(O4)=O)(CC(O5)=O)O6.C[N+](C)(C)C.[OH2][H][OH2] |
Title of publication | Computational and Experimental Investigation of the Effect of Cation Structure on the Solubility of Anionic Flow Battery Active-Materials |
Authors of publication | Visayas, Benjoe Rey Baguio; Pahari, Shyam K.; Gokoglan, Tugba Ceren; Golen, James A.; Agar, Ertan; Cappillino, Patrick; Mayes, Maricris Lodriguito |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 15.926 ± 0.002 Å |
b | 18.696 ± 0.003 Å |
c | 26.925 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8017 ± 2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 70 |
Hermann-Mauguin space group symbol | F d d d :2 |
Hall space group symbol | -F 2uv 2vw |
Residual factor for all reflections | 0.0392 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0715 |
Weighted residual factors for all reflections included in the refinement | 0.0759 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1565408.html
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