Information card for entry 4070066

Structure parameters

• Formula: C33 H54 N3 O4.5 Ru S Si2
• Calculated formula: C33 H53 N3 O4.5 Ru S Si2
• SMILES: [Ru]1(OS(=O)(=O)c2ccc(cc2)C)(N=O)(C[Si](C)(C)C)(C[Si](C)(C)C)[n]2ccc(cc2c2cc(cc[n]12)C(C)(C)C)C(C)(C)C.O
• 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: 15.8553 ± 0.0013 Å
• b: 16.2993 ± 0.0014 Å
• c: 15.9428 ± 0.0013 Å
• α: 90°
• β: 102.251 ± 0.002°
• γ: 90°
• Cell volume: 4026.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No