Information card for entry 1503880

Structure parameters

• Common name: PdCl2(t-Bu-MiniPHOS)2
• Formula: C22 H52 Br2 P4 Pd2
• Calculated formula: C22 H52 Br2 P4 Pd2
• SMILES: [Pd]12([Pd](Br)([P@](C[P@@]1(C(C)(C)C)C)(C(C)(C)C)C)[P@@](C[P@]2(C)C(C)(C)C)(C)C(C)(C)C)Br
• Title of publication: Optically active dinuclear palladium complexes containing a Pd-Pd bond: preparation and enantioinduction ability in asymmetric ring-opening reactions.
• Authors of publication: Ogura, Tomokazu; Yoshida, Kazuhiro; Yanagisawa, Akira; Imamoto, Tsuneo
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2245 - 2248
• a: 18.1731 ± 0.0011 Å
• b: 10.7733 ± 0.0006 Å
• c: 17.5878 ± 0.001 Å
• α: 90°
• β: 93.105 ± 0.001°
• γ: 90°
• Cell volume: 3438.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No