Information card for entry 4130986

Structure parameters

• Formula: C54 H40 O P2 S10 V
• Calculated formula: C54 H40 O P2 S10 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: 11.0123 ± 0.0006 Å
• b: 15.169 ± 0.0009 Å
• c: 15.074 ± 0.0008 Å
• α: 90°
• β: 94.532 ± 0.003°
• γ: 90°
• Cell volume: 2510.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.07 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: 0.0541
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No