Information card for entry 4310193

Structure parameters

• Formula: C44 H44 Cl2 P2 Pd2
• Calculated formula: C44 H44 Cl2 P2 Pd2
• SMILES: c12c(ccc(c1[C@@H]([P](c1ccccc1)(c1ccccc1)[Pd]12[Cl][Pd]2(c3c(ccc(c3[C@H]([P]2(c2ccccc2)c2ccccc2)C)C)C)[Cl]1)C)C)C
• 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: 12.649 ± 0.011 Å
• b: 12.067 ± 0.01 Å
• c: 13.869 ± 0.013 Å
• α: 90°
• β: 107.14 ± 0.02°
• γ: 90°
• Cell volume: 2023 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No