Information card for entry 4325390

Structure parameters

• Formula: C130 H150 Cl4 Ir4 O9 S4 n12
• Calculated formula: C130 H150 Cl4 Ir4 N12 O9 S4
• 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: 13.6893 ± 0.0006 Å
• b: 31.9208 ± 0.0012 Å
• c: 15.4428 ± 0.0006 Å
• α: 90°
• β: 105.143 ± 0.001°
• γ: 90°
• Cell volume: 6513.8 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No