Information card for entry 7107226

Structure parameters

• Formula: C29 H40 N P Ru Si
• Calculated formula: C29 H40 N P Ru Si
• SMILES: [Ru]1234567([P](c8c([Si]1(C)c1c(N(C7)C)cccc1)cccc8)(C(C)(C)C)C(C)(C)C)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61
• 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: 10.3542 ± 0.0005 Å
• b: 16.6143 ± 0.0008 Å
• c: 15.3008 ± 0.0008 Å
• α: 90°
• β: 94.3988 ± 0.0005°
• γ: 90°
• Cell volume: 2624.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0207
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No