Information card for entry 4302752

Structure parameters

• Formula: C42 H39 Cl5 O5 P2 Pd S
• Calculated formula: C42 H39 Cl5 O5 P2 Pd S
• SMILES: [Pd]2(c3ccccc3P(c1ccccc1)(c1ccccc1)=[CH]2C(=O)C[S](C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.Cl(=O)(=O)(=O)[O-].C(Cl)(Cl)Cl
• Title of publication: Experimental and Computational Study of the Bonding Properties of Mixed Bis-Ylides of Phosphorus and Sulfur
• Authors of publication: Elena Serrano; Rafael Navarro; Tatiana Soler; Jorge J. Carbó; Agustí Lledós; Esteban P. Urriolabeitia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6823 - 6834
• a: 10.689 ± 0.002 Å
• b: 10.771 ± 0.003 Å
• c: 19.296 ± 0.005 Å
• α: 105.339 ± 0.019°
• β: 91.6 ± 0.03°
• γ: 96.272 ± 0.019°
• Cell volume: 2125.9 ± 0.9 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No