Information card for entry 1552145

Structure parameters

• Common name: (n-Bu3NH)2[V(C6Br4O2)3]
• Chemical name: tris(tetrabromocatecholato)vanadate(IV) bis-tri-n-butylammonium
• Formula: C42 H56 Br12 N2 O6 V
• Calculated formula: C42 H56 Br12 N2 O6 V
• Title of publication: Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes
• Authors of publication: Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.039 ± 0.005 Å
• b: 12.432 ± 0.006 Å
• c: 37.11 ± 0.02 Å
• α: 83.93 ± 0.03°
• β: 89.04 ± 0.02°
• γ: 84.219 ± 0.019°
• Cell volume: 5495 ± 5 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145.03 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No