Information card for entry 7043305

Structure parameters

• Formula: C34 H35 O5 P Pd S2
• Calculated formula: C34 H35 O5 P Pd S2
• SMILES: [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([OH2])(CS(=O)(=O)c1ccc(cc1)C)CS(=O)(=O)c1ccc(cc1)C
• 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: 10.5238 ± 0.0004 Å
• b: 12.4909 ± 0.0006 Å
• c: 12.9402 ± 0.0004 Å
• α: 89.936 ± 0.003°
• β: 81.938 ± 0.003°
• γ: 78.047 ± 0.004°
• Cell volume: 1647 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No