Information card for entry 7050038

Structure parameters

• Formula: C32 H34 Br2 N P Pd
• Calculated formula: C32 H34 Br2 N P Pd
• SMILES: [Pd]1(Br)(Br)[N](=C(C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr
• Authors of publication: Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 385
• a: 9.9766 ± 0.0002 Å
• b: 13.5588 ± 0.0003 Å
• c: 21.8426 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2954.66 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No