Information card for entry 7710869

Structure parameters

• Chemical name: vanadium biphenolate
• Formula: C64 H104 Li2 O10 V
• Calculated formula: C64 H104 Li2 O10 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: 23.4271 ± 0.0004 Å
• b: 11.91406 ± 0.0002 Å
• c: 22.8582 ± 0.0004 Å
• α: 90°
• β: 95.9647 ± 0.0014°
• γ: 90°
• Cell volume: 6345.45 ± 0.19 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No