Information card for entry 7048044

Structure parameters

• Formula: C28 H24 Cl F6 N8 P Pd
• Calculated formula: C28 H24 Cl F6 N8 P 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: 13.4023 ± 0.0005 Å
• b: 20.9123 ± 0.0008 Å
• c: 12.4921 ± 0.0004 Å
• α: 90°
• β: 111.055 ± 0.001°
• γ: 90°
• Cell volume: 3267.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No