Information card for entry 4110582

Structure parameters

• Formula: C43 H57 N7 Ru Si
• Calculated formula: C43 H57 N7 Ru Si
• SMILES: [Ru]12(=[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)[N]#N
• 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: 17.0427 ± 0.0011 Å
• b: 12.4563 ± 0.0008 Å
• c: 39.721 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8432.3 ± 1 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.2182
• 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