Information card for entry 4132336

Structure parameters

• Formula: C78 H158 Ir2 O16 Si4 Ta2
• Calculated formula: C78 H158 Ir2 O16 Si4 Ta2
• 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: 9.8249 ± 0.0008 Å
• b: 11.9731 ± 0.0009 Å
• c: 21.961 ± 0.0011 Å
• α: 94.585 ± 0.005°
• β: 95.53 ± 0.006°
• γ: 105.728 ± 0.007°
• Cell volume: 2459.9 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections: 0.1864
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0312
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No