Information card for entry 7103768

Structure parameters

• Formula: C23 H26 Cl2 N P Pd S
• Calculated formula: C23 H26 Cl2 N P Pd S
• SMILES: C12=C3C(CCCC3)=C(c3cccs3)[P]2(C2CCCCC2)[Pd]([n]2c1cccc2)(Cl)Cl
• Title of publication: Stereospecific isomerisation of P-heterocycles triggered by coordination: synthesis of the first P,N-chelates featuring a 2-phospholene moiety
• Authors of publication: Leca, François; Sauthier, Mathieu; Le Guennic, Boris; Lescop, Christophe; Toupet, Loic; Halet, Jean-François; Réau, Régis
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Pages of publication: 1774 - 1775
• a: 10.332 ± 0.0002 Å
• b: 17.137 ± 0.0005 Å
• c: 13.11 ± 0.0004 Å
• α: 90°
• β: 106.695 ± 0.001°
• γ: 90°
• Cell volume: 2223.4 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0662
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No