Information card for entry 4310192

Structure parameters

• Formula: C27 H29 O2 P Pd
• Calculated formula: C27 H29 O2 P Pd
• SMILES: [Pd]12(OC(=CC(=[O]1)C)C)[P]([C@H](c1c2c(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: 9.588 ± 0.0007 Å
• b: 26.56 ± 0.002 Å
• c: 9.5467 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2431.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No