Information card for entry 7713482

Structure parameters

• Formula: C42 H56 Cl12 N2 O6 V
• Calculated formula: C42 H56 Cl12 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: 11.5413 ± 0.0001 Å
• b: 12.302 ± 0.0001 Å
• c: 19.179 ± 0.0002 Å
• α: 95.538 ± 0.001°
• β: 106.491 ± 0.001°
• γ: 95.79 ± 0.001°
• Cell volume: 2575.27 ± 0.04 ų
• Cell temperature: 99.9 ± 0.7 K
• Ambient diffraction temperature: 99.9 ± 0.7 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No