Information card for entry 2201547

Structure parameters

• Common name: PdCl2(4-CNpy)2
• Chemical name: Palladium(II)-transdichlorobis(4-cyanopyridine)
• Formula: C12 H8 Cl2 N4 Pd
• Calculated formula: C12 H8 Cl2 N4 Pd
• SMILES: c1cc(cc[n]1[Pd]([n]1ccc(cc1)C#N)(Cl)Cl)C#N
• Title of publication: <i>trans</i>-Dichlorobis(4-cyanopyridine)palladium(II)
• Authors of publication: Barnett, Sarah A.; Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Hubberstey, Peter; Teat, Simon J.; Schröder, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m385 - m386
• a: 3.8983 ± 0.0013 Å
• b: 25.651 ± 0.014 Å
• c: 7.256 ± 0.004 Å
• α: 90°
• β: 101.33 ± 0.05°
• γ: 90°
• Cell volume: 711.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.689 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes