Information card for entry 4125474

Structure parameters

• Formula: C62 H58.49 N2 O P2 S8 V
• Calculated formula: C62 H58 N2 O P2 S8 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: 10.663 ± 0.006 Å
• b: 12.686 ± 0.007 Å
• c: 22.853 ± 0.013 Å
• α: 103.838 ± 0.01°
• β: 98.039 ± 0.011°
• γ: 98.816 ± 0.011°
• Cell volume: 2916 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.93 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: 0.0629
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No