Information card for entry 7048041

Structure parameters

• Formula: C30 H27 F12 N9 P2 Pd
• Calculated formula: C30 H27 F12 N9 P2 Pd
• Title of publication: Electron-poor hemilabile dicationic palladium NHC complexes - synthesis, structure and catalytic activity.
• Authors of publication: Schroeter, Felix; Císařová, Ivana; Soellner, Johannes; Herdtweck, Eberhardt; Strassner, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16638 - 16650
• a: 9.4162 ± 0.0005 Å
• b: 20.4515 ± 0.001 Å
• c: 18.6792 ± 0.0009 Å
• α: 90°
• β: 98.235 ± 0.002°
• γ: 90°
• Cell volume: 3560.1 ± 0.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No