Information card for entry 7720640

Structure parameters

• Formula: C38 H28 N4 O6 V
• Calculated formula: C38 H28 N4 O6 V
• Title of publication: Spin dynamics and long phase-memory times in structurally distinct non-oxido vanadium(IV) complexes with rigid ligand frameworks relevant to molecular qubits
• Authors of publication: Akintola, Oluseun; Lima, Sudhir; Seifert, Michael; Kintzel, Benjamin; Görls, Helmar; Dinda, Rupam; Plass, Winfried
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 10.4302 ± 0.0004 Å
• b: 17.5602 ± 0.0006 Å
• c: 19.8365 ± 0.0005 Å
• α: 63.995 ± 0.002°
• β: 75.645 ± 0.002°
• γ: 87.926 ± 0.002°
• Cell volume: 3152.4 ± 0.19 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No