Information card for entry 4081591

Structure parameters

• Formula: C62 H58 F3 Fe O3 P3 Pt
• Calculated formula: C62 H58 F3 Fe O3 P3 Pt
• SMILES: c1(ccccc1)[P]1(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Pt]2(C=C(c3ccccc3C(F)(F)F)[Fe]12(C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1.CCCCCCC
• 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: 11.93876 ± 0.00018 Å
• b: 37.9801 ± 0.0006 Å
• c: 12.30068 ± 0.00017 Å
• α: 90°
• β: 99.6327 ± 0.0014°
• γ: 90°
• Cell volume: 5498.92 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No