Information card for entry 7135029

Structure parameters

• Formula: C44 H51 N2 P Se2
• Calculated formula: C44 H51 N2 P Se2
• 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: 9.845 ± 0.0002 Å
• b: 10.4186 ± 0.0003 Å
• c: 21.0183 ± 0.0005 Å
• α: 82.912 ± 0.002°
• β: 80.297 ± 0.002°
• γ: 71.16 ± 0.002°
• Cell volume: 2005.68 ± 0.09 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No