Information card for entry 4089360

Structure parameters

• Formula: C32 H58 Cl6 Ir2 Mo O P2 S2
• Calculated formula: C32 H58 Cl6 Ir2 Mo O P2 S2
• SMILES: [Ir]1234567([Ir]89%10%11%12([S]2[Mo]21(Cl)([S]38)([P](CC)(CC)CC[P]2(CC)CC)=O)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.[Cl-].ClCCl.ClCCl
• Title of publication: Synthesis of a Sulfido-Capped Trinuclear Cluster [{(η5-C5Me5)Ir}2{Mo(CO)3}(μ3-S)2] and Its Reactions at the Molybdenum Site Forming a Series of Ir2MoS2Clusters
• Authors of publication: Kajitani, Hidenobu; Seino, Hidetake; Mizobe, Yasushi
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3499
• a: 11.036 ± 0.003 Å
• b: 26.998 ± 0.007 Å
• c: 15.173 ± 0.004 Å
• α: 90°
• β: 96.3723 ± 0.0011°
• γ: 90°
• Cell volume: 4493 ± 2 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 8
• 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: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No