Information card for entry 2222747

Structure parameters

• Chemical name: <i>trans</i>-Di-μ-carbonyl-bis{carbonyl[η^5^-2,3,4,5-tetramethyl-1-(2- thienyl)cyclopentadienyl]ruthenium(I)}(<i>Ru</i>—<i>Ru</i>)
• Formula: C30 H30 O4 Ru2 S2
• Calculated formula: C30 H30 O4 Ru2 S2
• SMILES: C(#[O])[Ru]123456([c]7([c]5(C)[c]4([c]3([c]17C)c1cccs1)C)C)C(=O)[Ru]13456(C2=O)(C#[O])[c]2([c]1([c]3([c]4([c]52C)C)C)C)c1cccs1
• Title of publication: <i>trans</i>-Di-μ-carbonyl-bis{carbonyl[η^5^-2,3,4,5-tetramethyl-1-(2-thienyl)cyclopentadienyl]ruthenium(I)}(<i>Ru</i>—<i>Ru</i>)
• Authors of publication: Ma, Zhi-Hong; Dong, Gui-Ying; Liu, Xiao-Huan; Lin, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m894
• a: 8.269 ± 0.002 Å
• b: 8.899 ± 0.003 Å
• c: 10.056 ± 0.003 Å
• α: 81.826 ± 0.004°
• β: 76.083 ± 0.005°
• γ: 82.876 ± 0.005°
• Cell volume: 707.8 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes