Information card for entry 7242206

Structure parameters

• Chemical name: Tetrapropylammonium vanadium(v)bis-hydroxyiminodiacetate
• Formula: C20 H36 N3 O10 V
• Calculated formula: C20 H36 N3 O10 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: 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 ų
• 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