Information card for entry 1567136

Structure parameters

• Chemical name: [Ge9{Si(SiMe3)}3RhH(PPh3)][B{C6H3(CF3)2}4]*1.5hex
• Formula: C86 H130 B F24 Ge9 P Rh Si12
• Calculated formula: C86 H130 B F24 Ge9 P Rh Si12
• 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: 15.0839 ± 0.0002 Å
• b: 19.3502 ± 0.0003 Å
• c: 21.6497 ± 0.0004 Å
• α: 106.313 ± 0.001°
• β: 96.757 ± 0.001°
• γ: 92.771 ± 0.001°
• Cell volume: 6000.52 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No