Information card for entry 1558482

Structure parameters

• Formula: C105 H154 Cl N2 O Rh Si7
• Calculated formula: C105 H154 Cl N2 O 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: 14.9387 ± 0.0008 Å
• b: 17.6518 ± 0.0009 Å
• c: 21.0713 ± 0.0011 Å
• α: 102.165 ± 0.003°
• β: 92.721 ± 0.003°
• γ: 108.26 ± 0.003°
• Cell volume: 5119.4 ± 0.5 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No