Information card for entry 4101600

Structure parameters

• Formula: C34 H38 Mo O2 Rh2 S4
• Calculated formula: C34 H38 Mo O2 Rh2 S4
• SMILES: c12ccccc1[S]1[Mo]345(C#[O])(C#[O])([S]2[Rh]267814[c]1([c]2([c]6([c]7([c]81C)C)C)C)C)[S]1c2ccccc2[S]3[Rh]234651[c]1([c]2([c]3([c]4([c]61C)C)C)C)C
• Title of publication: Two-Electron Reduction of a Rh-Mo-Rh Dithiolato Complex To Form a Triplet Ground State Associated with a Change in CO Coordination Mode
• Authors of publication: Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Sugimoto, Manabu; Tsuneyuki, Shinji; Miyashita, Seiji; Kato, Tatsuhisa; Nishihara, Hiroshi
• Journal of publication: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 4
• Pages of publication: 1388
• a: 21.049 ± 0.005 Å
• b: 14.373 ± 0.005 Å
• c: 22.479 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6801 ± 3 ų
• Cell temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No