Information card for entry 7103772

Structure parameters

• Formula: C23.5 H26 Cl3 N P Pd S
• Calculated formula: C23.5 H26 Cl3 N P Pd S
• 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: 10.866 ± 0.005 Å
• b: 15.475 ± 0.005 Å
• c: 16.973 ± 0.005 Å
• α: 90°
• β: 106.722 ± 0.005°
• γ: 90°
• Cell volume: 2733.3 ± 1.7 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: 0.0709
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No