Information card for entry 4324867

Structure parameters

• Formula: C58.5 H55 Cl7 N2 O2 P4 Pt
• Calculated formula: C58.5 H55 Cl7 N2 O2 P4 Pt
• SMILES: [Pt]12([P](C(=C3NCCO3)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](N1C(=C[P]2(c2ccccc2)c2ccccc2)OCC1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].C(Cl)Cl.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: 17.0905 ± 0.0005 Å
• b: 18.0349 ± 0.0008 Å
• c: 24.3921 ± 0.001 Å
• α: 107.918 ± 0.002°
• β: 107.738 ± 0.002°
• γ: 90.299 ± 0.003°
• Cell volume: 6772.8 ± 0.5 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: 0.1238
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No