Information card for entry 4070072

Structure parameters

• Formula: C50 H75 N3 O Ru S Si3
• Calculated formula: C50 H75 N3 O Ru S Si3
• SMILES: [Ru]1(S[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(N=O)([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C.CCCCCC
• Title of publication: Synthesis, Structures, and Reactivity of Ruthenium(II) Nitrosyl Tri- and Dialkyl Complexes
• Authors of publication: Chan, Ka-Wang; Huang, Enrique Kwan; Williams, Ian D.; Leung, Wa-Hung
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5794
• a: 12.2037 ± 0.0017 Å
• b: 14.673 ± 0.002 Å
• c: 15.765 ± 0.002 Å
• α: 101.989 ± 0.002°
• β: 103.875 ± 0.002°
• γ: 101.739 ± 0.002°
• Cell volume: 2583.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0425
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No