Information card for entry 4081264

Structure parameters

• Formula: C25 H20 Cl2 F N3 Pd
• Calculated formula: C25 H20 Cl2 F N3 Pd
• SMILES: [Pd](Cl)(Cl)(c1n(c2[n+](cccc2)c1c1ccccc1)Cc1ccc(cc1)F)[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: 14.001 ± 0.003 Å
• b: 11.941 ± 0.002 Å
• c: 14.517 ± 0.003 Å
• α: 90°
• β: 106.026 ± 0.013°
• γ: 90°
• Cell volume: 2332.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1602
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No