Information card for entry 2237044

Structure parameters

• Chemical name: Bis{2-[(phenylimino)methyl]-1<i>H</i>-pyrrol-1-ido}palladium(II)
• Formula: C22 H18 N4 Pd
• Calculated formula: C22 H18 N4 Pd
• SMILES: c1cn2c(C=[N](c3ccccc3)[Pd]32n2cccc2C=[N]3c2ccccc2)c1
• Title of publication: Bis{2-[(phenylimino)methyl]-1<i>H</i>-pyrrol-1-ido}palladium(II)
• Authors of publication: Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1567
• a: 10.5634 ± 0.0004 Å
• b: 10.648 ± 0.0006 Å
• c: 8.056 ± 0.0007 Å
• α: 90°
• β: 93.044 ± 0.002°
• γ: 90°
• Cell volume: 904.85 ± 0.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes