Information card for entry 4110581

Structure parameters

• Formula: C47 H65 Cl2 N5 O Ru Si
• Calculated formula: C47 H65 Cl2 N5 O Ru Si
• SMILES: [Ru]12(Cl)(Cl)(=[Si]3N(c4c(N3CC(C)(C)C)cccc4)CC(C)(C)C)[N](=C(c3[n]1c(ccc3)C(=[N]2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C.O1CCCC1
• Title of publication: Synthesis and Structure of Ruthenium-Silylene Complexes: Activation of Si-Cl Bonds in N-Heterocyclic Silanes
• Authors of publication: Hyojong Yoo; Patrick J. Carroll; Donald H. Berry
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 6038 - 6039
• a: 9.5051 ± 0.0009 Å
• b: 13.2089 ± 0.0012 Å
• c: 19.556 ± 0.0019 Å
• α: 79.52 ± 0.006°
• β: 80.581 ± 0.005°
• γ: 89.463 ± 0.005°
• Cell volume: 2381.3 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.064
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No