Information card for entry 4089362

Structure parameters

• Formula: C50 H64 Ir2 Mo O P2 S2
• Calculated formula: C51 H51 Ir2 Mo P2 S2
• 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: 24.372 ± 0.003 Å
• b: 22.53 ± 0.003 Å
• c: 17.977 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9871 ± 2 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No