Information card for entry 7720687

Structure parameters

• Formula: C39 H44.5 I4 N2.5 O3 V
• Calculated formula: C39 H44.5 I4 N2.5 O3 V
• 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: 25.3991 ± 0.0006 Å
• b: 12.4635 ± 0.0003 Å
• c: 27.4973 ± 0.0008 Å
• α: 90°
• β: 106.109 ± 0.003°
• γ: 90°
• Cell volume: 8362.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No