Information card for entry 7048364

Structure parameters

• Formula: C50 H68 F12 N6 O9 P2 Pd S4 Zn
• Calculated formula: C50 H68 F12 N6 O9 P2 Pd S4 Zn
• Title of publication: Highly efficient palladium-catalysed carbon dioxide hydrosilylation employing PMP ligands.
• Authors of publication: Steinhoff, Patrick; Paul, Melanie; Schroers, Julian P.; Tauchert, Michael E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 1017 - 1022
• a: 15.0449 ± 0.0007 Å
• b: 14.233 ± 0.0007 Å
• c: 29.2644 ± 0.0013 Å
• α: 90°
• β: 94.589 ± 0.001°
• γ: 90°
• Cell volume: 6246.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No