Information card for entry 7135034

Structure parameters

• Formula: C45 H51 F3 N2 O3 P2 S3
• Calculated formula: C45 H51 F3 N2 O3 P2 S3
• 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: 10.4857 ± 0.0001 Å
• b: 13.3395 ± 0.0001 Å
• c: 16.2297 ± 0.0001 Å
• α: 94.945 ± 0.001°
• β: 99.955 ± 0.001°
• γ: 94.997 ± 0.001°
• Cell volume: 2215.54 ± 0.03 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 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: 0.043
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0473
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No