Information card for entry 4324866

Structure parameters

• Formula: C57 H49 Au2 Cl5 N2 O2 P4 Pd
• Calculated formula: C57 H49 Au2 Cl5 N2 O2 P4 Pd
• SMILES: [Au]([P](C1=C2N([Pd]3([P]1(c1ccccc1)c1ccccc1)[P](C(=C1N3CCO1)[P]([Au]Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)CCO2)(c1ccccc1)c1ccccc1)Cl.ClC(Cl)Cl
• Title of publication: Unexpected Metal-Induced Isomerisms and Phosphoryl Migrations in Pt(II) and Pd(II) Complexes of the Functional Phosphine 2-(Bis(diphenylphosphino)methyl)-oxazoline
• Authors of publication: Shuanming Zhang; Roberto Pattacini; Pierre Braunstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3511 - 3522
• a: 25.1972 ± 0.0004 Å
• b: 24.7389 ± 0.0005 Å
• c: 18.8381 ± 0.0004 Å
• α: 90°
• β: 107.414 ± 0.001°
• γ: 90°
• Cell volume: 11204.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1137
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No