Information card for entry 4081268

Structure parameters

• Formula: C26 H22 Cl2 F N3 O Pd
• Calculated formula: C26 H22 Cl2 F N3 O Pd
• SMILES: [Pd](Cl)(Cl)(=C1N(c2c(cccc2)N1Cc1ccc(cc1)F)c1ccc(cc1)OC)[n]1ccccc1
• 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: 11.324 ± 0.004 Å
• b: 15.859 ± 0.005 Å
• c: 14.811 ± 0.005 Å
• α: 90°
• β: 106.7 ± 0.02°
• γ: 90°
• Cell volume: 2547.7 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0974
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No