Information card for entry 4307132

Structure parameters

• Formula: C16 H11 Cl2 F3 N4 O4 Ru S
• Calculated formula: C16 H11 Cl2 F3 N4 O4 Ru S
• SMILES: [Ru]12(Cl)(Cl)(N=O)[n]3c(cccc3)c3[n]1c(ccc3)c1[n]2cccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis of Nitrosylruthenium Complexes Containing 2,2':6',2''-Terpyridine by Reactions of Alkoxo Complexes with Acids
• Authors of publication: Hirotaka Nagao; Keiji Enomoto; Yuuki Wakabayashi; Gen Komiya; Toshiyuki Hirano; Takao Oi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1431 - 1439
• a: 8.0868 ± 0.0005 Å
• b: 9.2038 ± 0.0005 Å
• c: 27.511 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2047.6 ± 0.2 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No