Information card for entry 1515482

Structure parameters

• Formula: C34 H38 Co2 Mo O2 S4
• Calculated formula: C34 H38 Co2 Mo O2 S4
• SMILES: [Mo]1234([Co]56789([S]2c2c([S]45)cccc2)[c]2([c]9([c]6(C)[c]8([c]72C)C)C)C)([Co]24567([S]1c1ccccc1[S]32)[c]1([c]5([c]6([c]4(C)[c]71C)C)C)C)(C#[O])C#[O]
• Title of publication: Normal and inverted redox potentials and structural changes tuned by medium effects in [M2Mo(η5-C5Me5)2(S2C6H4)2(CO)2] (M: Co, Rh)
• Authors of publication: Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Tsukada, Satoru; Tada, Mizuki; Tsuneyuki, Shinji; Nishihara, Hiroshi
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 1960
• a: 15.45 ± 0.005 Å
• b: 11.362 ± 0.005 Å
• c: 19.951 ± 0.005 Å
• α: 90 ± 0.005°
• β: 106.933 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3350 ± 2 ų
• Cell temperature: 113 ± 2 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: 0.0208
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No