Information card for entry 4325394

Structure parameters

• Formula: C68 H84 Ir2 Mo O6 S6 n4
• Calculated formula: C68 H84 Ir2 Mo N4 O6 S6
• Title of publication: Coordination Chemistry of the Soft Chiral Lewis Acid [Cp*Ir(TsDPEN)]+
• Authors of publication: Christopher S. Letko; Zachariah M. Heiden; Thomas B. Rauchfuss; Scott R. Wilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5558 - 5566
• a: 24.892 ± 0.007 Å
• b: 17.396 ± 0.005 Å
• c: 34.306 ± 0.009 Å
• α: 90°
• β: 94.079 ± 0.004°
• γ: 90°
• Cell volume: 14818 ± 7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.108
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No