Information card for entry 4089357

Structure parameters

• Formula: C48 H56 Cl2 I2 Ir2 Mo O P2 S2
• Calculated formula: C48 H54 Cl2 I2 Ir2 Mo O P2 S2
• SMILES: [Ir]123456([Ir]789%10%11([S]1[Mo]1(I)([S]28)([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)C#[O])[c]1([c]%10([c]%11([c]7([c]91C)C)C)C)C)[c]1([c]4([c]5([c]6([c]31C)C)C)C)C.[I-].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: 10.6356 ± 0.0019 Å
• b: 11.495 ± 0.002 Å
• c: 12.1608 ± 0.0019 Å
• α: 64.897 ± 0.006°
• β: 75.099 ± 0.007°
• γ: 84.534 ± 0.007°
• Cell volume: 1300.9 ± 0.4 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 9
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No