Information card for entry 2217750

Structure parameters

• Chemical name: cis-Dichlorido[4,4,5,5-tetramethyl-2-(2-pyridyl)-2-imidazoline-1- oxyl]palladium(II) tetrahydrofuran hemisolvate
• Formula: C14 H20 Cl2 N3 O1.5 Pd
• Calculated formula: C14 H20 Cl2 N3 O1.5 Pd
• SMILES: c1cccc2C3=[N]([Pd]([n]12)(Cl)Cl)C(C)(C(C)([N]3=O)C)C.C1CCCO1
• Title of publication: <i>cis</i>-Dichlorido[4,4,5,5-tetramethyl-2-(2-pyridyl)-2-imidazoline-1-oxyl]palladium(II) tetrahydrofuran hemisolvate
• Authors of publication: Badeche, Sihem; Rouag, Djamil Azzedine; Benmebarek, Sabrina; Bouaoud, Salah-Eddine; Golhen, Stéphane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m487 - m488
• a: 19.1398 ± 0.001 Å
• b: 15.2061 ± 0.0012 Å
• c: 13.8291 ± 0.001 Å
• α: 90°
• β: 123.415 ± 0.003°
• γ: 90°
• Cell volume: 3359.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes