Information card for entry 7242205

Structure parameters

• Common name: TEA2VBH
• Chemical name: Bis-tetraethylammonium vanadium(iv)bis-hydroxyiminodiacetate
• Formula: C24 H50 N4 O11 V
• Calculated formula: C24 H50 N4 O11 V
• SMILES: [V]123456(OC(=O)C[N]5(O1)CC(O2)=O)OC(=O)C[N]6(O3)CC(O4)=O.O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)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: 9.45 ± 0.008 Å
• b: 10.573 ± 0.01 Å
• c: 28.94 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2892 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No