Information card for entry 4081590

Structure parameters

• Formula: C55 H42 F3 Fe O3 P3 Pt
• Calculated formula: C55 H42 F3 Fe O3 P3 Pt
• SMILES: C([Fe]1234(C#[O])[CH](=[C]1(c1ccc(C(F)(F)F)cc1)C2=O)[Pt]4([P](c1ccccc1)(c1ccccc1)C[P]3(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)#[O]
• Title of publication: Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes
• Authors of publication: Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5343
• a: 11.6083 ± 0.0003 Å
• b: 14.4747 ± 0.0003 Å
• c: 14.638 ± 0.0003 Å
• α: 105.725 ± 0.002°
• β: 97.991 ± 0.002°
• γ: 97.455 ± 0.002°
• Cell volume: 2308.09 ± 0.1 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: 0.0347
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No