Information card for entry 4118875

Structure parameters

• Common name: tris(3,5-dimethylphenyl(tertbutyl)amido)-(eta-2-peroxo)-vanadium
• Chemical name: tris(3,5-dimethylphenyl(tertbutyl)amido)-(eta-2-peroxo)-vanadium
• Formula: C36 H54 N3 O2 V
• Calculated formula: C36 H54 N3 O1.98 V
• Title of publication: Two-Step Binding of O2 to a Vanadium(III) Trisanilide Complex To Form a Non-Vanadyl Vanadium(V) Peroxo Complex
• Authors of publication: Anthony F. Cozzolino; Daniel Tofan; Christopher C. Cummins; Manuel Temprado; Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Burjor Captain; Carl D. Hoff
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18249 - 18252
• a: 23.919 ± 0.002 Å
• b: 23.919 ± 0.002 Å
• c: 23.919 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13685 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No