Information card for entry 4130985

Structure parameters

• Formula: C54 H40 O3 P2 S8 V
• Calculated formula: C54 H40 O3 P2 S8 V
• Title of publication: Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.
• Authors of publication: Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 44
• Pages of publication: 14678 - 14685
• a: 10.9282 ± 0.0005 Å
• b: 14.9295 ± 0.0006 Å
• c: 15.4749 ± 0.0007 Å
• α: 90°
• β: 91.432 ± 0.002°
• γ: 90°
• Cell volume: 2523.98 ± 0.19 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.374
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No