Information card for entry 4311449

Structure parameters

• Formula: C40 H56 B2 F4 O4 P4 Pd2 S4 W
• Calculated formula: C40 H56 B2 F4 O4 P4 Pd2 S4 W
• SMILES: [W]12(S[Pd]3([P@](O[B](O[P@]3(C(C)(C)C)c3ccccc3)(F)F)(c3ccccc3)C(C)(C)C)S1)S[Pd]1([P@@](O[B](O[P@@]1(c1ccccc1)C(C)(C)C)(F)F)(C(C)(C)C)c1ccccc1)S2
• 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: 14.925 ± 0.0017 Å
• b: 10.5019 ± 0.0012 Å
• c: 16.968 ± 0.0019 Å
• α: 90°
• β: 112.281 ± 0.002°
• γ: 90°
• Cell volume: 2461 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No