Information card for entry 4132334

Structure parameters

• Formula: C25 H48 Ir Ta
• Calculated formula: C25 H48 Ir Ta
• Title of publication: Metal-Metal Synergy in Well-Defined Surface Tantalum-Iridium Heterobimetallic Catalysts for H/D Exchange Reactions.
• Authors of publication: Lassalle, Sébastien; Jabbour, Ribal; Schiltz, Pauline; Berruyer, Pierrick; Todorova, Tanya K.; Veyre, Laurent; Gajan, David; Lesage, Anne; Thieuleux, Chloé; Camp, Clément
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 10.6696 ± 0.001 Å
• b: 16.3169 ± 0.0016 Å
• c: 16.1767 ± 0.0015 Å
• α: 90°
• β: 92.512 ± 0.009°
• γ: 90°
• Cell volume: 2813.6 ± 0.5 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections: 0.1541
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9892
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No