Information card for entry 7242208

Structure parameters

• Chemical name: Bis-tetra-n-butylammonium vanadium(iv)bis-hydroxyiminodiacetate
• Formula: C40 H82 N4 O11 V
• Calculated formula: C40 H82 N4 O11 V
• 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: 12.0215 ± 0.0012 Å
• b: 17.5162 ± 0.0017 Å
• c: 22.902 ± 0.002 Å
• α: 90°
• β: 95.183 ± 0.003°
• γ: 90°
• Cell volume: 4802.8 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No