Information card for entry 4106418

Structure parameters

• Formula: C36 H44 Cl2 P2 Pd2
• Calculated formula: C36 H44 Cl2 P2 Pd2
• SMILES: C1c2ccccc2[P@](Cc2ccccc2)(C(C)(C)C)[Pd]21[Cl][Pd]1(Cc3ccccc3[P@]1(Cc1ccccc1)C(C)(C)C)[Cl]2
• Title of publication: Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates
• Authors of publication: David Gatineau; Laurent Giordano; Gérard Buono
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10728 - 10731
• a: 9.0424 ± 0.0002 Å
• b: 21.397 ± 0.0005 Å
• c: 10.3352 ± 0.0003 Å
• α: 90°
• β: 114.417 ± 0.001°
• γ: 90°
• Cell volume: 1820.81 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No