Information card for entry 1558484

Structure parameters

• Formula: C92 H138 Cl N2 O2 Rh Si7
• Calculated formula: C92 H138 Cl N2 O2 Rh Si7
• Title of publication: Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization
• Authors of publication: Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 37.608 ± 0.004 Å
• b: 13.6961 ± 0.0014 Å
• c: 18.1426 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9344.9 ± 1.7 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No