Information card for entry 7017574

Structure parameters

• Formula: C14 H14 Cl2 N2 O Pd
• Calculated formula: C14 H14 Cl2 N2 O Pd
• SMILES: c1cccc2C3[N](CCO3)(c3ccccc3)[Pd](Cl)(Cl)[n]12
• Title of publication: Ni(II) and Pd(II) pyridinyloxazolidine-compounds: synthesis, X-ray characterisation and catalytic activities in the aza-Michael reaction.
• Authors of publication: Ardizzoia, G. Attilio; Brenna, Stefano; Therrien, Bruno
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 783 - 790
• a: 8.6308 ± 0.0006 Å
• b: 12.3692 ± 0.0006 Å
• c: 15.1831 ± 0.001 Å
• α: 90°
• β: 114.683 ± 0.005°
• γ: 90°
• Cell volume: 1472.79 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.312
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No