Information card for entry 4509127

Structure parameters

• Common name: PdCl2(ATQACH2NH2)
• Formula: C10 H18 Cl2 N2 Pd
• Calculated formula: C10 H18 Cl2 N2 Pd
• SMILES: [Pd]1(Cl)(Cl)[N]23C4(CC[C@@H]2CC[C@@H]3CC4)C[NH2]1
• Title of publication: Crystal Packing in Planar Platinum(II) and Palladium(II) Complexes. Hydrogen-Bond-Mediated Supramolecular Assembly of Ten Wedge-Shaped Molecules into a Cyclic Array
• Authors of publication: Gussenhoven, Emily M.; Jevric, Martyn; Olmstead, Marilyn M.; Fettinger, James C.; Mascal, Mark; Balch, Alan L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1786
• a: 12.6237 ± 0.0006 Å
• b: 11.0518 ± 0.0005 Å
• c: 8.7066 ± 0.0004 Å
• α: 90°
• β: 100.048 ± 0.001°
• γ: 90°
• Cell volume: 1196.07 ± 0.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0177
• Residual factor for significantly intense reflections: 0.0148
• Weighted residual factors for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No