Information card for entry 7135031

Structure parameters

• Formula: C67.76 H90.76 N4 P2
• Calculated formula: C64 H82 N4 P2
• 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: 12.0999 ± 0.0001 Å
• b: 14.6052 ± 0.0001 Å
• c: 41.8681 ± 0.0004 Å
• α: 85.433 ± 0.001°
• β: 87.238 ± 0.001°
• γ: 68.411 ± 0.001°
• Cell volume: 6856.66 ± 0.11 ų
• Cell temperature: 288 ± 5 K
• Ambient diffraction temperature: 288 ± 5 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No