Information card for entry 7714395

Structure parameters

• Formula: C22 H46 N8 V2
• Calculated formula: C22 H46 N8 V2
• Title of publication: Experimental and Computational Study of the Exchange Interaction between the V(III) Centers in the Vanadium-Cyclal Dimer
• Authors of publication: Reiß, Andreas; Reimann, Maximilian Kai; Jin, Chengyu; Wachter-Lehn, Martha; Kremer, Reinhard; Pöttgen, Rainer; Fink, Karin; Klopper, Wim; Feldmann, Claus
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.05 ± 0.004 Å
• b: 8.508 ± 0.002 Å
• c: 13.565 ± 0.005 Å
• α: 90°
• β: 96.22 ± 0.03°
• γ: 90°
• Cell volume: 1267.8 ± 0.7 ų
• Cell temperature: 210 K
• Ambient diffraction temperature: 210 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No