Information card for entry 4103995

Structure parameters

• Formula: C64 H74 F6 Ir2 N4 O11 S4
• Calculated formula: C64 H74 F6 Ir2 N4 O11 S4
• Title of publication: Proton-Assisted Activation of Dihydrogen: Mechanistic Aspects of Proton-Catalyzed Addition of H2 to Ru and Ir Amido Complexes
• Authors of publication: Zachariah M. Heiden; Thomas B. Rauchfuss
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3593 - 3600
• a: 26.181 ± 0.008 Å
• b: 17.048 ± 0.006 Å
• c: 14.967 ± 0.005 Å
• α: 90°
• β: 90.074 ± 0.005°
• γ: 90°
• Cell volume: 6680 ± 4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0977
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No