Information card for entry 1559722

Structure parameters

• Formula: C32 H48 Cl Ir N2 Si
• Calculated formula: C32 H48 Cl Ir N2 Si
• SMILES: [Ir]123(Cl)([Si]4([N](=C(N4C(C)(C)C)c4ccccc4)C(C)(C)C)C4C(=C(C(=C4C)C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination
• Authors of publication: Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 46
• Pages of publication: 12446 - 12452
• a: 33.271 ± 0.007 Å
• b: 9.5771 ± 0.0019 Å
• c: 19.943 ± 0.004 Å
• α: 90°
• β: 103.05 ± 0.03°
• γ: 90°
• Cell volume: 6191 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No