Information card for entry 7109390

Structure parameters

• Formula: C52 H49 B2 Cl F8 N4 P2 Pd
• Calculated formula: C52 H49 B2 Cl F8 N4 P2 Pd
• Title of publication: Pyridine-based dicarbene ligand; synthesis and structure of a bis-2-pyridylidene palladium complex
• Authors of publication: Tetsushi Yoshidomi; Yasutomo Segawa; Kenichiro Itami
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5648
• a: 11.8013 ± 0.0007 Å
• b: 9.4307 ± 0.0006 Å
• c: 44.208 ± 0.003 Å
• α: 90°
• β: 92.807 ± 0.003°
• γ: 90°
• Cell volume: 4914.2 ± 0.5 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No