Information card for entry 2208816

Structure parameters

• Chemical name: trans-Diacetonitriledibromopalladium(II)
• Formula: C4 H6 Br2 N2 Pd
• Calculated formula: C4 H6 Br2 N2 Pd
• SMILES: C(C)#[N][Pd]([N]#CC)(Br)Br
• Title of publication: <i>trans</i>-Diacetonitriledibromopalladium(II)
• Authors of publication: Ademi, Lumni; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1059 - m1061
• a: 5.1979 ± 0.0003 Å
• b: 12.0686 ± 0.0007 Å
• c: 7.074 ± 0.0003 Å
• α: 90°
• β: 90.327 ± 0.003°
• γ: 90°
• Cell volume: 443.75 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0279
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for all reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections included in the refinement: 0.0246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0304
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes