Information card for entry 7103770

Structure parameters

• Formula: C25 H29 Cl4 N2 P Pd
• Calculated formula: C25 H29 Cl4 N2 P Pd
• SMILES: [C@H]12C3=CCCCC3=C(c3ccccn3)[P@]2(C2CCCCC2)[Pd]([n]2c1cccc2)(Cl)Cl.C(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: 8.717 ± 0.0002 Å
• b: 16.236 ± 0.0003 Å
• c: 18.907 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2675.89 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No