Information card for entry 7107228

Structure parameters

• Formula: C23 H36 Cl Ir N P Si
• Calculated formula: C23 H36 Cl Ir N P Si
• SMILES: [IrH]12([Si](C)(c3c([P]1(C(C)(C)C)C(C)(C)C)cccc3)c1c([N]2(C)C)cccc1)Cl
• Title of publication: 'Hemilabile' silyl pincer ligation: platinum group PSiN complexes and triple C-H activation to form a (PSiC)Ru carbene complex
• Authors of publication: Adam J. Ruddy; Samuel Mitton; Robert McDonald; Laura Turculet
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1159
• a: 15.8428 ± 0.0016 Å
• b: 10.3414 ± 0.0011 Å
• c: 16.0067 ± 0.0016 Å
• α: 90°
• β: 112.887 ± 0.001°
• γ: 90°
• Cell volume: 2416 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No