Information card for entry 7119639

Structure parameters

• Formula: C46 H52 B2 Br2 Cl4 F8 N4 Pd2
• Calculated formula: C46 H52 B2 Br2 Cl4 F8 N4 Pd2
• Title of publication: A hybrid carbocyclic/N-heterocyclic carbene ligand.
• Authors of publication: Jandl, Christian; Pöthig, Alexander
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 2098 - 2101
• a: 16.011 ± 0.003 Å
• b: 24.099 ± 0.004 Å
• c: 14.46 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5579.4 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No