Information card for entry 2018585

Structure parameters

• Common name: Pd1a-Qu
• Chemical name: (<i>SP</i>-4‒4)-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]- chlorido(quinoline-κ<i>N</i>)palladium(II) acetone hemisolvate
• Formula: C18.5 H20 Cl N2 O0.5 Pd
• Calculated formula: C18.5 H20 Cl N2 O0.5 Pd
• SMILES: [Pd]1(Cl)([NH2][C@@H](c2c1cccc2)C)[n]1c2ccccc2ccc1.O=C(C)C
• Title of publication: Pseudosymmetry in a cyclopalladated compound
• Authors of publication: Raven, William; Kalf, Irmgard; Englert, Ulli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m223 - m225
• a: 11.9699 ± 0.0018 Å
• b: 12.3754 ± 0.0019 Å
• c: 12.4793 ± 0.0019 Å
• α: 104.369 ± 0.003°
• β: 95.465 ± 0.003°
• γ: 95.802 ± 0.003°
• Cell volume: 1767.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes