Information card for entry 4517351

Structure parameters

• Common name: trismesk
• Formula: C32 H40 F12 N2 P2 Ru2 S6
• Calculated formula: C32 H40 F12 N2 P2 Ru2 S6
• SMILES: [cH]12[Ru]3456([N]#CC)([S](c7cc(cc(SC)c7)[S](C)[Ru]789%10([cH]%11[cH]%10[cH]9[cH]8[cH]7%11)([N]#CC)[S](c7cc(cc(SC)c7)[S]6C)C)C)[cH]([cH]5[cH]24)[cH]13.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes
• Authors of publication: Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 8.2478 ± 0.0008 Å
• b: 16.2374 ± 0.0015 Å
• c: 15.405 ± 0.0015 Å
• α: 90°
• β: 99.669 ± 0.001°
• γ: 90°
• Cell volume: 2033.8 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0251
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No