Information card for entry 7720679

Structure parameters

• Formula: C19 H21 Br2 N O
• Calculated formula: C19 H21 Br2 N O
• Title of publication: Vanadyl complexes supported by O,O-and N,O-chelate ligation: Structures and polymerization catalysis
• Authors of publication: Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark Robert James; Redshaw, Carl
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 8.27032 ± 0.0001 Å
• b: 11.96735 ± 0.00015 Å
• c: 19.8419 ± 0.0002 Å
• α: 103.163 ± 0.001°
• β: 93.0781 ± 0.0009°
• γ: 105.737 ± 0.0011°
• Cell volume: 1826.54 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No