Information card for entry 7132121

Structure parameters

• Formula: C81 H96 N6 Ni2 O6 P2 S4
• Calculated formula: C81 H96 N6 Ni2 O6 P2 S4
• Title of publication: Photoswitchable Electron-rich Phosphines: Using Light to Modulate the Electron-Donating Ability of Phosphines
• Authors of publication: Buß, Florenz; Das, Mowpriya; Janssen-Mueller, Daniel; Sietmann, Alexander; Das, Ankita; Wilm, Lukas F. B.; Freitag, Matthias; Seidl, Michael; Glorius, Frank; Dielmann, Fabian
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 13.6213 ± 0.0005 Å
• b: 17.5686 ± 0.0006 Å
• c: 17.6681 ± 0.0005 Å
• α: 90°
• β: 111.582 ± 0.001°
• γ: 90°
• Cell volume: 3931.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No