Information card for entry 4065570

Structure parameters

• Formula: C66 H52 B F24 Ir S
• Calculated formula: C66 H52 B F24 Ir S
• Title of publication: Synthesis and Reactions of Coordinatively Unsaturated Half-Sandwich Rhodium and Iridium Complexes Having a 2,6-Dimesitylbenzenethiolate Ligand
• Authors of publication: Sakamoto, Mayumi; Ohki, Yasuhiro; Tatsumi, Kazuyuki
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1761
• a: 13.265 ± 0.003 Å
• b: 14.381 ± 0.003 Å
• c: 17.235 ± 0.003 Å
• α: 89.267 ± 0.007°
• β: 87.527 ± 0.007°
• γ: 75.296 ± 0.004°
• Cell volume: 3177.2 ± 1.1 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No