Information card for entry 4310190

Structure parameters

• Formula: C36 H39 Cl N P Pd
• Calculated formula: C36 H39 Cl N P Pd
• SMILES: [Pd]1(Cl)([P]([C@@H](C)c2c(ccc(c2)C)C)(c2ccccc2)c2ccccc2)[N]([C@@H](c2c1ccc1ccccc21)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: 11.789 ± 0.0007 Å
• b: 13.1284 ± 0.0007 Å
• c: 21.3695 ± 0.0012 Å
• α: 90°
• β: 91.779 ± 0.001°
• γ: 90°
• Cell volume: 3305.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No