Information card for entry 4310191

Structure parameters

• Formula: C44 H46 Cl4 P2 Pd2
• Calculated formula: C44 H46 Cl4 P2 Pd2
• SMILES: [Pd]1(Cl)([Cl][Pd](Cl)([Cl]1)[P]([C@H](c1cc(ccc1C)C)C)(c1ccccc1)c1ccccc1)[P]([C@H](c1cc(ccc1C)C)C)(c1ccccc1)c1ccccc1
• Title of publication: Stereochemical Investigations of a Novel Class of Chiral Phosphapalladacycle Complexes Derived from 1-[(2,5-Dimethyl)phenyl]ethyldiphenylphosphine
• Authors of publication: Joseph Kok-Peng Ng; Yongxin Li; Geok-Kheng Tan; Lip-Lin Koh; Jagadese J. Vittal; Pak-Hing Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9874 - 9886
• a: 8.7896 ± 0.0005 Å
• b: 8.9429 ± 0.0005 Å
• c: 15.3868 ± 0.0009 Å
• α: 106.312 ± 0.001°
• β: 93.113 ± 0.001°
• γ: 113.116 ± 0.001°
• Cell volume: 1048.87 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No