Information card for entry 7014414

Structure parameters

• Formula: C31 H14 N2 O9 Ru3 S
• Calculated formula: C31 H14 N2 O9 Ru3 S
• SMILES: [Ru]123([S]4[Ru]5([Ru]4([O]=C5c4c(c5cccc(c6[n]2c(c2[n]1cccc2)ccc6)c35)cccc4)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Carbon-sulfur bond cleavage reactions of dibenzothiophene derivatives mediated by iron and ruthenium carbonyls.
• Authors of publication: Hirotsu, Masakazu; Tsuboi, Chiaki; Nishioka, Takanori; Kinoshita, Isamu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 785 - 787
• a: 11.553 ± 0.0007 Å
• b: 16.4925 ± 0.0011 Å
• c: 16.1736 ± 0.0011 Å
• α: 90°
• β: 91.766 ± 0.002°
• γ: 90°
• Cell volume: 3080.2 ± 0.3 ų
• Cell temperature: 193.1 K
• Ambient diffraction temperature: 193.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No