Information card for entry 4087311

Structure parameters

• Formula: C53 H43 Cl3 P2 Pd2 S20
• Calculated formula: C53 H43 Cl3 P2 Pd2 S20
• Title of publication: Experimental and Theoretical Studies on the Mechanism of the C‒S Bond Activation of PdII Thiolate/Thioether Complexes
• Authors of publication: Kumar, Sushil; Guyon, Fabrice; Knorr, Michael; Labat, Stéphane; Miqueu, Karinne; Golz, Christopher; Strohmann, Carsten
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1303
• a: 13.4247 ± 0.0003 Å
• b: 13.9422 ± 0.0003 Å
• c: 19.628 ± 0.0004 Å
• α: 90.2309 ± 0.0016°
• β: 98.3416 ± 0.0017°
• γ: 113.341 ± 0.0018°
• Cell volume: 3329.78 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0303
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No