Information card for entry 2015016

Structure parameters

• Common name: trans-dichlorobis[(1R,2R,3R,5S)-(-)-isopinocampheylamine]palladium(II)
• Chemical name: trans-dichlorobis[(1R,2R,3R,5S)-(-)-2,6,6-trimethylbicyclo[3.1.1]heptan-3- amine]palladium(II)
• Formula: C20 H38 Cl2 N2 Pd
• Calculated formula: C20 H38 Cl2 N2 Pd
• SMILES: [Pd](Cl)(Cl)([NH2][C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C)[NH2][C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C
• Title of publication: Conformational change induced by hydration: <i>trans</i>-dichlorobis[(1<i>R</i>,2<i>R</i>,3<i>R</i>,5<i>S</i>)-(‒)-isopinocampheylamine]palladium(II) and <i>trans</i>-dichlorobis[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-isopinocampheylamine]palladium(II) hemihydrate
• Authors of publication: Vázquez, Jaime; Bernès, Sylvain; Meléndez, Ruth; Portillo, Roberto; Gutiérrez, René
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m424 - m427
• a: 6.6037 ± 0.0005 Å
• b: 11.3935 ± 0.001 Å
• c: 30.143 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2267.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes