Information card for entry 4081593

Structure parameters

• Formula: C54 H44 B F4 Fe O3 P3 Pt
• Calculated formula: C54 H44 B F4 Fe O3 P3 Pt
• SMILES: [B](F)(F)(F)[F-].c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pt]123C(=O)[Fe]42(C#[O])(C#[O])([CH2]=[C]14c1ccccc1)[P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 15.3029 ± 0.0003 Å
• b: 15.1981 ± 0.0004 Å
• c: 21.0121 ± 0.0006 Å
• α: 90°
• β: 90.395 ± 0.002°
• γ: 90°
• Cell volume: 4886.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No