Information card for entry 4074481

Structure parameters

• Common name: 10
• Chemical name: Bis(diphenyl(ferrocenylethynyl)phosphane)palladium dichloride
• Formula: C48 H38 Cl2 Fe2 P2 Pd
• Calculated formula: C48 H38 Cl2 Fe2 P2 Pd
• SMILES: [Pd](Cl)(Cl)([P](C#C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]9[cH]8[cH]71)(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: 10.8183 ± 0.0008 Å
• b: 21.372 ± 0.0015 Å
• c: 17.4369 ± 0.0013 Å
• α: 90°
• β: 93.297 ± 0.003°
• γ: 90°
• Cell volume: 4024.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No