Information card for entry 7134320

Structure parameters

• Common name: TPhos Pd G3
• Chemical name: (selenocarbamoyl)phosphine Pd G3
• Formula: C41 H39 Cl2 N2 O3 P Pd S Se
• Calculated formula: C41 H39 Cl2 N2 O3 P Pd S Se
• Title of publication: Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.
• Authors of publication: Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 26
• Pages of publication: 4955 - 4958
• a: 12.1825 ± 0.0005 Å
• b: 15.409 ± 0.0006 Å
• c: 21.4921 ± 0.0008 Å
• α: 90°
• β: 105.099 ± 0.004°
• γ: 90°
• Cell volume: 3895.2 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 9
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No