Information card for entry 7135030

Structure parameters

• Formula: C48 H57 F6 N2 O3 P2 S
• Calculated formula: C45 H55 F5 N2 O3 P2 S
• Title of publication: A diazadiphospholenium cation featuring a reactive PP bond: synthesis and reversible main-group bond activation.
• Authors of publication: Wieneke, Jan; Cirigliano, Francesco; Schorpp, Marcel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 90
• Pages of publication: 17601 - 17604
• a: 12.1447 ± 0.0001 Å
• b: 29.8408 ± 0.0003 Å
• c: 13.06799 ± 0.0001 Å
• α: 90°
• β: 94.1461 ± 0.0007°
• γ: 90°
• Cell volume: 4723.54 ± 0.07 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 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: 0.0527
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No