Information card for entry 4103849

Structure parameters

• Formula: C24 H31 F N2 Pd
• Calculated formula: C24 H31 F N2 Pd
• SMILES: [Pd](c1ccccc1)(F)([n]1ccc(cc1)C(C)(C)C)[n]1ccc(cc1)C(C)(C)C
• Title of publication: trans-Difluoro Complexes of Palladium(II)
• Authors of publication: Vladimir V. Grushin; William J. Marshall
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 918 - 919
• a: 16.821 ± 0.014 Å
• b: 12.063 ± 0.01 Å
• c: 11.799 ± 0.009 Å
• α: 90°
• β: 108.507 ± 0.012°
• γ: 90°
• Cell volume: 2270 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No