Information card for entry 7011509

Structure parameters

• Formula: C33 H48 Ir2 O2 S3
• Calculated formula: C32 H40 Ir2 O2.76 S3
• Title of publication: Nucleophilic addition and substitution reactions on the sulfur atoms bound to two Ir atoms. Conversion of a hydrosulfido complex [(??5-C5Me5)2Ir2(??-SH)3]Cl into a series of diiridium complexes with bridging thiolato ligands
• Authors of publication: Takagi, Fusao; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 3603
• a: 22.375 ± 0.003 Å
• b: 22.375 ± 0.003 Å
• c: 27.148 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13591 ± 3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.319
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No