Information card for entry 4074665

Structure parameters

• Common name: heterodimetallacyclopentenone
• Chemical name: sythfe
• Formula: C42 H30 Fe O4 P2 Pt S2
• Calculated formula: C42 H30 Fe O4 P2 Pt S2
• SMILES: [Pt]123([Fe]45([C]2(C#Cc2ccsc2)=[C]4(C5=O)c2ccsc2)(C#[O])(C#[O])C3=O)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Metallacycles of 1,4-Bis(3-thiophenyl)-1,3-butadiyne in Mixed Metal Clusters Derived by C−C Bond Coupling of Alkynyls
• Authors of publication: Yamazaki, Shinsaku; Taira, Zenei; Yonemura, Toshiaki; Deeming, Anthony J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 4
• Pages of publication: 849
• a: 14.608 ± 0.005 Å
• b: 23.769 ± 0.005 Å
• c: 11.986 ± 0.005 Å
• α: 90°
• β: 90.564 ± 0.005°
• γ: 90°
• Cell volume: 4162 ± 2 ų
• Cell temperature: 0 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No