Information card for entry 7009931

Structure parameters

• Formula: C16 H21 Ir O4 S2
• Calculated formula: C16 H21 Ir O4 S2
• Title of publication: Syntheses of diiridium complexes with two bridging tetrachalcogenide ligands [{Ir(η5-C5Me5)}2(μ-E4)2] (E = Se or S) and their reactions with alkynes forming mono- or di-nuclear dichalcogenolene complexes
• Authors of publication: Nagao, Shoken; Seino, Hidetake; Okada, Tomohiko; Mizobe, Yasushi; Hidai, Masanobu
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3546
• a: 16.064 ± 0.002 Å
• b: 16.083 ± 0.002 Å
• c: 16.387 ± 0.001 Å
• α: 115.234 ± 0.007°
• β: 92.887 ± 0.009°
• γ: 91.3 ± 0.01°
• Cell volume: 3820.3 ± 0.7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.995
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No