Information card for entry 4089361

Structure parameters

• Formula: C26 H46 B Cl7 Ir2 Mo P2 S2
• Calculated formula: C26 H46 B Cl7 Ir2 Mo P2 S2
• SMILES: [Ir]1234567([Ir]89%10%11%12%13([Mo]%141(Cl)(Cl)(Cl)([S]28)([S]39)[P](C)(C)CC[P]%14(C)C)[c]1([c]%13([c]%12([c]%11([c]%101C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.Cl[B](Cl)(Cl)[Cl-]
• 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: 8.7534 ± 0.0013 Å
• b: 14.1283 ± 0.0015 Å
• c: 16.1347 ± 0.0014 Å
• α: 91.099 ± 0.006°
• β: 96.24 ± 0.006°
• γ: 99.605 ± 0.006°
• Cell volume: 1954.3 ± 0.4 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No