Information card for entry 7103769

Structure parameters

• Formula: C51 H48 Cl10 N4 P2 Pd2
• Calculated formula: C51 H48 Cl10 N4 P2 Pd2
• SMILES: [C@H]12C3=CCCCC3=C(c3ncccc3)[P@@]1(c1ccccc1)[Pd]([n]1c2cccc1)(Cl)Cl.C(Cl)Cl.C(Cl)Cl.[C@@H]12C3=CCCCC3=C(c3ncccc3)[P@]1(c1ccccc1)[Pd]([n]1c2cccc1)(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: 14.985 ± 0.005 Å
• b: 9.785 ± 0.005 Å
• c: 37.375 ± 0.005 Å
• α: 90°
• β: 98.388 ± 0.005°
• γ: 90°
• Cell volume: 5422 ± 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No