Information card for entry 7009928

Structure parameters

• Formula: C16 H21 Ir O4 Se2
• Calculated formula: C16 H21 Ir O4 Se2
• 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: 11.977 ± 0.001 Å
• b: 11.6244 ± 0.0008 Å
• c: 15.223 ± 0.001 Å
• α: 90°
• β: 112.21 ± 0.006°
• γ: 90°
• Cell volume: 1962.2 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0262
• Weighted residual factors for all reflections included in the refinement: 0.0262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.747
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No