Information card for entry 4339720

Structure parameters

• Common name: 5
• Chemical name: [Pd(CH3Im(CH3Py)2Cl](PF6)
• Formula: C20 H22 Cl F6 N6 P Pd
• Calculated formula: C20 H22 Cl F6 N6 P Pd
• SMILES: [Pd]1(=C2N(C=CN2c2[n]1cccc2C)C)(Cl)=C1N(C=CN1c1ncccc1C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Preparation of Au(I), Ag(I), and Pd(II) N-heterocyclic carbene complexes utilizing a methylpyridyl-substituted NHC ligand. formation of a luminescent coordination polymer.
• Authors of publication: Catalano, Vincent J.; Etogo, Anthony O.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5608 - 5615
• a: 12.4099 ± 0.0005 Å
• b: 15.5311 ± 0.0006 Å
• c: 12.5353 ± 0.0005 Å
• α: 90°
• β: 104.921 ± 0.001°
• γ: 90°
• Cell volume: 2334.58 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0213
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No