Information card for entry 7103771

Structure parameters

• Formula: C25 H22 Cl2 N P Pd
• Calculated formula: C25 H22 Cl2 N P Pd
• SMILES: c1ccccc1C1=C2C(=CCCC2)C2[P]1([Pd](Cl)(Cl)[n]1c2cccc1)c1ccccc1
• 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: 21.587 ± 0.005 Å
• b: 8.979 ± 0.005 Å
• c: 26.183 ± 0.005 Å
• α: 90°
• β: 104.844 ± 0.005°
• γ: 90°
• Cell volume: 4906 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1919
• Residual factor for significantly intense reflections: 0.1582
• Weighted residual factors for significantly intense reflections: 0.4315
• Weighted residual factors for all reflections included in the refinement: 0.4475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.697
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No