Information card for entry 2016974

Structure parameters

• Chemical name: (<i>SP</i>-4-4)-[<i>rac</i>-2-(1-aminoethyl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]bromido(pyridine-κ<i>N</i>)palladium(II)
• Formula: C13 H15 Br N2 Pd
• Calculated formula: C13 H15 Br N2 Pd
• Title of publication: Robust packing in cyclopalladated primary amines: isomorphous crystal structures of four complexes with varying substitution patterns
• Authors of publication: Calmuschi-Cula, Beatrice; Kalf, Irmgard; Timofte, Claudia; Englert, Ulli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m48 - m51
• a: 18.5197 ± 0.0009 Å
• b: 18.5197 ± 0.0009 Å
• c: 15.7281 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5394.4 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes