Information card for entry 4070067

Structure parameters

• Formula: C27 H46 F3 N3 O4 Ru S Si2
• Calculated formula: C27 H46 F3 N3 O4 Ru S Si2
• SMILES: [Ru]1(OS(=O)(=O)C(F)(F)F)(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
• 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: 15.7192 ± 0.0002 Å
• b: 16.651 ± 0.0004 Å
• c: 16.5684 ± 0.0004 Å
• α: 90°
• β: 100.339 ± 0.002°
• γ: 90°
• Cell volume: 4266.21 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No