Information card for entry 7062414

Structure parameters

• Formula: C46 H38 P2 Pd
• Calculated formula: C46 H38 P2 Pd
• Title of publication: On the nature of optical activity in chiral transition metal complexes: [Pd(Me)2(BINAP)]
• Authors of publication: Fehn, Natalie; Strauss, Melanie; Jandl, Christian; Drees, Markus; Heiz, Ueli; Köhler, Klaus; Kartouzian, Aras
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 7961 - 7964
• a: 11.949 ± 0.004 Å
• b: 11.507 ± 0.004 Å
• c: 13.75 ± 0.004 Å
• α: 90°
• β: 109.32 ± 0.02°
• γ: 90°
• Cell volume: 1784.1 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No