Information card for entry 2204787

Structure parameters

• Chemical name: Dichloro[(4S,4'S)-4,4'-diisopropyl-2,2'-bi-1,3-oxazoline]palladium(II)
• Formula: C12 H20 Cl2 N2 O2 Pd
• Calculated formula: C12 H20 Cl2 N2 O2 Pd
• SMILES: C12C3=[N]([Pd]([N]=1[C@H](CO2)C(C)C)(Cl)Cl)[C@H](CO3)C(C)C
• Title of publication: Dichloro[(4<i>S</i>,4'<i>S</i>)-4,4'-diisopropyl-2,2'-bi-1,3-oxazoline]palladium(II)
• Authors of publication: Kožíšek, Jozef; Fronc, Marek; Svoboda, Ingrid; Kapitán, Peter; Gracza, Tibor
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1895 - m1896
• a: 6.3388 ± 0.0013 Å
• b: 12.79 ± 0.003 Å
• c: 10.196 ± 0.002 Å
• α: 90°
• β: 103.74 ± 0.03°
• γ: 90°
• Cell volume: 803 ± 0.3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes