Information card for entry 4313646

Structure parameters

• Formula: C24 H36 Cl2 N2 Pd2
• Calculated formula: C24 H36 Cl2 N2 Pd2
• SMILES: [Pd]12([Cl][Pd]3([Cl]1)[N]([C@@H](c1c3c(ccc1C)C)C)(C)C)[N]([C@@H](c1c2c(ccc1C)C)C)(C)C.[Pd]12([Cl][Pd]3([Cl]1)[N]([C@H](c1c3c(ccc1C)C)C)(C)C)[N]([C@H](c1c2c(ccc1C)C)C)(C)C
• Title of publication: A Rational Approach to the Design and Synthesis of Chiral Organopalladium-Amine Complexes
• Authors of publication: Yongxin Li; S. Selvaratnam; Jagadese J. Vittal; Pak-Hing Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3229 - 3236
• a: 11.7472 ± 0.0002 Å
• b: 15.9525 ± 0.0003 Å
• c: 14.9517 ± 0.0003 Å
• α: 90°
• β: 109.307 ± 0.001°
• γ: 90°
• Cell volume: 2644.33 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.0669
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No