Information card for entry 7052759

Structure parameters

• Formula: C25 H20 Br0.66 Cl0.34 N O4 Pd S2
• Calculated formula: C25 H20 Br0.663 Cl0.337 N O4 Pd S2
• Title of publication: The role of the dendritic support in the catalytic performance of peripheral pincer Pd-complexes
• Authors of publication: Pijnenburg, Niels J. M.; Lutz, Martin; Siegler, Maxime A.; Spek, Anthony; van Koten, Gerard; Gebbink, Robertus J. M. Klein
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2356
• a: 8.6141 ± 0.0002 Å
• b: 12.4476 ± 0.0002 Å
• c: 22.262 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2387.04 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No