Information card for entry 4074666

Structure parameters

• Common name: metallacyclic compound of 1,3-diyne
• Chemical name: sythrupt
• Formula: C46 H30 O8 P2 Pt Ru3 S2
• Calculated formula: C46 H30 O8 P2 Pt Ru3 S2
• SMILES: [Pt]12([C]345[Ru]6789([Ru]%10%11%12([Ru]%133([CH]46[C]8%11%13c3ccsc3)([C]57%10c3ccsc23)(C#[O])(C#[O])C%12=O)(C9=O)(C#[O])C#[O])(C#[O])C#[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: 12.868 Å
• b: 15.672 Å
• c: 25.291 Å
• α: 90°
• β: 79.677°
• γ: 90°
• Cell volume: 5017.81 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 298 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: 0.064
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No