Information card for entry 7043304

Structure parameters

• Formula: C54 H50 Cl6 O4 P2 Pd S2
• Calculated formula: C54 H50 Cl6 O4 P2 Pd S2
• SMILES: [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(CS(=O)(=O)c1ccc(cc1)C)CS(=O)(=O)c1ccc(cc1)C.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Polymer [Pd(CH2SO2C6H4Me)2]n, a precursor to remarkably stable Pd organometallics
• Authors of publication: Pérez-Briso, Celeste; Gallego, Ana M.; Martín-Alvarez, Jose M.; Martínez-Ilarduya, Jesús M.; Espinet, Pablo
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.1091 ± 0.0008 Å
• b: 18.898 ± 0.0009 Å
• c: 20.282 ± 0.0008 Å
• α: 90°
• β: 96.162 ± 0.005°
• γ: 90°
• Cell volume: 5376.6 ± 0.5 ų
• Cell temperature: 150 ± 0.14 K
• Ambient diffraction temperature: 150 ± 0.14 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: 0.1596
• Residual factor for significantly intense reflections: 0.1018
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No