Information card for entry 1558483

Structure parameters

• Formula: C101 H157 Cl Ir N2 Si6 Sn
• Calculated formula: C101 H157 Cl Ir N2 Si6 Sn
• 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: 15.7798 ± 0.0019 Å
• b: 26.095 ± 0.003 Å
• c: 27.363 ± 0.004 Å
• α: 104.327 ± 0.006°
• β: 106.15 ± 0.006°
• γ: 90.156 ± 0.006°
• Cell volume: 10455 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1945
• Residual factor for significantly intense reflections: 0.1685
• Weighted residual factors for significantly intense reflections: 0.3641
• Weighted residual factors for all reflections included in the refinement: 0.3704
• Goodness-of-fit parameter for all reflections included in the refinement: 2.47
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No