Information card for entry 4130983

Structure parameters

• Formula: C64 H40 N O2 P2 S16 V
• Calculated formula: C65 H43 O2 P2 S16 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: 10.7702 ± 0.0003 Å
• b: 12.3858 ± 0.0003 Å
• c: 13.0046 ± 0.0003 Å
• α: 80.57 ± 0.001°
• β: 79.217 ± 0.001°
• γ: 70.885 ± 0.001°
• Cell volume: 1600.33 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No