Information card for entry 4325295

Structure parameters

• Common name: Ir2(tfepma)2(CNtBu)2(H)(OTs)
• Formula: C36.25 H50.5 Cl4.5 F24 Ir2 N4 O11 P4 S
• Calculated formula: C36.25 H50.5 Cl4.5 F24 Ir2 N4 O11 P4 S
• Title of publication: Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes
• Authors of publication: Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5223 - 5233
• a: 29.043 ± 0.003 Å
• b: 29.565 ± 0.003 Å
• c: 19.9842 ± 0.0018 Å
• α: 90°
• β: 130.356 ± 0.001°
• γ: 90°
• Cell volume: 13076 ± 2 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No