Information card for entry 1567138

Structure parameters

• Chemical name: [Ge9{Si(SiMe3)}3RhH(H)2W(Cp)2][B{C6H3(CF3)2}4]*Et2O
• Formula: C73 H116 B F24 Ge9 O Rh Si12 W
• Calculated formula: C73 H116 B F24 Ge9 O Rh Si12 W
• Title of publication: Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2
• Authors of publication: Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 17.9023 ± 0.0005 Å
• b: 13.8042 ± 0.0005 Å
• c: 44.4206 ± 0.0012 Å
• α: 90°
• β: 96.969 ± 0.003°
• γ: 90°
• Cell volume: 10896.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.091
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No