Information card for entry 7011506

Structure parameters

• Formula: C48 H63 Cl Ir2 N2 O6 S6
• Calculated formula: C48 H63 Cl Ir2 N2 O6 S6
• 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: 11.943 ± 0.002 Å
• b: 22.055 ± 0.002 Å
• c: 20.508 ± 0.002 Å
• α: 90°
• β: 90.01 ± 0.01°
• γ: 90°
• Cell volume: 5401.9 ± 1.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No