Information card for entry 4125472

Structure parameters

• Formula: C69.97 H60 O2 P2 S16 V
• Calculated formula: C70 H60 O2 P2 S16 V
• Title of publication: Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.
• Authors of publication: Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 8
• Pages of publication: 3196 - 3201
• a: 12.86 ± 0.0007 Å
• b: 13.2615 ± 0.0007 Å
• c: 22.4444 ± 0.0012 Å
• α: 92.528 ± 0.003°
• β: 94.167 ± 0.003°
• γ: 108.759 ± 0.003°
• Cell volume: 3605.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.96 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No