Information card for entry 7710868

Structure parameters

• Formula: C48 H64 O4 V
• Calculated formula: C48 H64 O4 V
• Title of publication: Synthesis, Crystal Structure, EPR, and DFT Studies of an Unusually Distorted Vanadium(II) Complex
• Authors of publication: Bonitatibus, Peter John; Alvarez, Santiago; Armstrong, William H.; Baldansuren, Amgalanbaatar; Gaspard, Mallory E.; Lakshmi, K. V.; Ziegler, Micah S.; Charles, Philip
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.1309 ± 0.0004 Å
• b: 24.5283 ± 0.0009 Å
• c: 18.0181 ± 0.0007 Å
• α: 90°
• β: 100.636 ± 0.001°
• γ: 90°
• Cell volume: 4400.5 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.1517
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No