Information card for entry 7011507

Structure parameters

• Formula: C28 H42 Cl F6 Ir2 N2 P S3
• Calculated formula: C28 H40 Cl F6 Ir2 N2 P 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: 20.655 ± 0.004 Å
• b: 11.025 ± 0.005 Å
• c: 31.223 ± 0.004 Å
• α: 90°
• β: 89°
• γ: 89°
• Cell volume: 7108 ± 4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.504
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No