Information card for entry 1558481

Structure parameters

• Formula: C101 H157 Cl Ir N2 Si7
• Calculated formula: C101 H157 Cl Ir N2 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: 16.5707 ± 0.0018 Å
• b: 16.9084 ± 0.0019 Å
• c: 21.231 ± 0.002 Å
• α: 105.174 ± 0.004°
• β: 96.576 ± 0.004°
• γ: 109.461 ± 0.004°
• Cell volume: 5278.5 ± 1 ų
• Cell temperature: 232 ± 2 K
• Ambient diffraction temperature: 232 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No