Information card for entry 7713481

Structure parameters

• Formula: C42 H65 Cl3 N2 O6 V
• Calculated formula: C42 H65 Cl3 N2 O6 V
• Title of publication: Impact of Ligand Chlorination and Counterion Tuning on High-Field Spin Relaxation in a Series of V(IV) Complexes
• Authors of publication: Martinez, Roxanna; Jackson, Cassidy E.; Üngör, Ökten; van Tol, Johan; Zadrozny, Joseph
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 20.0922 ± 0.0009 Å
• b: 15.2744 ± 0.0008 Å
• c: 17.8164 ± 0.0009 Å
• α: 90°
• β: 105.925 ± 0.002°
• γ: 90°
• Cell volume: 5257.9 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110.35 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: 0.0532
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No