Information card for entry 1567139

Structure parameters

• Chemical name: Ge9{Si(SiMe3)}3RhH2W(Cp)2
• Formula: C37 H93 Ge9 Rh Si12 W
• Calculated formula: C37 H93 Ge9 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: 14.2783 ± 0.0001 Å
• b: 25.643 ± 0.0001 Å
• c: 19.8461 ± 0.0001 Å
• α: 90°
• β: 101.575 ± 0.001°
• γ: 90°
• Cell volume: 7118.64 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0252
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No