Information card for entry 7107225

Structure parameters

• Formula: C31 H46 N P Ru Si
• Calculated formula: C31 H46 N P Ru Si
• SMILES: [Ru]1234([P](c5c([Si]1(C)c1c(N(C=4)C)cccc1)cccc5)(C(C)(C)C)C(C)(C)C)[CH]1=[CH]2C3CCCCC1
• 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: 9.3387 ± 0.0003 Å
• b: 10.1491 ± 0.0003 Å
• c: 15.4308 ± 0.0005 Å
• α: 91.6768 ± 0.0004°
• β: 90.8227 ± 0.0004°
• γ: 99.6424 ± 0.0003°
• Cell volume: 1440.97 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0246
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No