Information card for entry 4311451

Structure parameters

• Formula: C25 H39 N O2 P2 Pd S2
• Calculated formula: C25 H39 N O2 P2 Pd S2
• SMILES: [Pd]1([S]=C(S1)N(CC)CC)([P](O)(c1ccccc1)C(C)(C)C)P(=O)(c1ccccc1)C(C)(C)C
• Title of publication: Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary Phosphine Oxide
• Authors of publication: Eddie Y. Y. Chan; Qian-Feng Zhang; Yiu-Keung Sau; Samuel M. F. Lo; Herman H. Y. Sung; Ian D. Williams; Richard K. Haynes; Wa-Hung Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4921 - 4926
• a: 9.5361 ± 0.0008 Å
• b: 15.3206 ± 0.0012 Å
• c: 20.0421 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2928.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No