Information card for entry 4324865

Structure parameters

• Formula: C60 H56 Cl8 N2 O2 P4 Pd
• Calculated formula: C60 H56 Cl8 N2 O2 P4 Pd
• SMILES: C(Cl)Cl.C(Cl)Cl.[Pd]12(P(=C(C3=NCCO3)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)P(=C(C1=NCCO1)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(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: 9.8705 ± 0.0005 Å
• b: 12.5788 ± 0.0005 Å
• c: 13.3436 ± 0.0006 Å
• α: 75.682 ± 0.002°
• β: 73.222 ± 0.002°
• γ: 74.038 ± 0.002°
• Cell volume: 1499.46 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No