Information card for entry 4307131

Structure parameters

• Formula: C20 H21 Cl F6 N5 O2 P Ru
• Calculated formula: C20 H21 Cl F6 N5 O2 P Ru
• SMILES: [Ru]12(Cl)(OCCC)(N=O)[n]3c(cccc3)c3[n]1c(ccc3)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 10.6 ± 0.002 Å
• b: 17.042 ± 0.003 Å
• c: 13.817 ± 0.003 Å
• α: 90°
• β: 106.23 ± 0.0009°
• γ: 90°
• Cell volume: 2396.5 ± 0.8 ų
• Cell temperature: 123.1 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 significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No