Information card for entry 4081265

Structure parameters

• Formula: C26 H22 Cl2 F N3 O Pd
• Calculated formula: C26 H22 Cl2 F N3 O Pd
• SMILES: c1(c(c2ccc(cc2)OC)n2c(cccc2)[n+]1Cc1ccc(cc1)F)[Pd](Cl)(Cl)[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: 11.188 ± 0.006 Å
• b: 15.768 ± 0.007 Å
• c: 14.827 ± 0.007 Å
• α: 90°
• β: 105.44 ± 0.03°
• γ: 90°
• Cell volume: 2521 ± 2 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: 0.1165
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No