Information card for entry 4081269

Structure parameters

• Formula: C25 H19 Cl2 F2 N3 Pd
• Calculated formula: C25 H19 Cl2 F2 N3 Pd
• SMILES: [Pd](Cl)(Cl)([n]1ccccc1)=C1N(c2c(cccc2)N1c1ccc(cc1)F)Cc1ccc(cc1)F
• Title of publication: Monodentate Palladium Complexes Bearing Abnormal and Normal Carbene Ligands with a Formally Identical Steric Environment
• Authors of publication: Ke, Chun-Hung; Kuo, Bing-Chiuan; Nandi, Debkumar; Lee, Hon Man
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4775
• a: 8.9072 ± 0.001 Å
• b: 11.6875 ± 0.0015 Å
• c: 23.513 ± 0.003 Å
• α: 100.789 ± 0.009°
• β: 90.078 ± 0.008°
• γ: 90.148 ± 0.009°
• Cell volume: 2404.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No