Information card for entry 4074482

Structure parameters

• Common name: 11
• Chemical name: Bis(diphenyl(ferrocenylethynyl)phosphane)platinum dichloride
• Formula: C48 H38 Cl2 Fe2 P2 Pt
• Calculated formula: C48 H38 Cl2 Fe2 P2 Pt
• SMILES: [Pt](Cl)(Cl)([P](C#C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(c1ccccc1)c1ccccc1)[P](C#C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)(c1ccccc1)c1ccccc1
• Title of publication: Redox-Active, Multinuclear (Ferrocenylethynyl)phosphanes and Their Palladium and Platinum Complexes
• Authors of publication: Baumgartner, Thomas; Fiege, Marcel; Pontzen, Florian; Arteaga-Müller, Rocio
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5657
• a: 10.895 ± 0.002 Å
• b: 21.539 ± 0.004 Å
• c: 17.514 ± 0.003 Å
• α: 90°
• β: 93.625 ± 0.003°
• γ: 90°
• Cell volume: 4101.7 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No