Information card for entry 7713483

Structure parameters

• Formula: C42 H62 Cl6 N2 O6 V
• Calculated formula: C42 H62 Cl6 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: 15.2509 ± 0.0004 Å
• b: 15.2509 ± 0.0004 Å
• c: 18.9173 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3810.49 ± 0.19 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104.52 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No