Information card for entry 4074483

Structure parameters

• Common name: 13
• Chemical name: Bis(diphenyl(ferrocenylethynyl)phosphane)palladium diiodide
• Formula: C48 H38 Fe2 I2 P2 Pd
• Calculated formula: C48 H38 Fe2 I2 P2 Pd
• SMILES: C(#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)[P](c1ccccc1)(c1ccccc1)[Pd](I)(I)[P](C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(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: 7.601 ± 0.003 Å
• b: 12.04 ± 0.002 Å
• c: 13.0166 ± 0.0017 Å
• α: 107.208 ± 0.013°
• β: 101.176 ± 0.019°
• γ: 102.58 ± 0.02°
• Cell volume: 1067.1 ± 0.5 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.2089
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No