Information card for entry 2217409

Structure parameters

• Common name: [Cp*Ru(egly)NO](Triflate)2
• Chemical name: (Glycol-κ^2^O,O')nitrosyl(η^5^-pentamethylcyclopentadienyl)ruthenium(II) bis(trifluoromethanesulfonate)
• Formula: C14 H21 F6 N O9 Ru S2
• Calculated formula: C14 H21 F6 N O9 Ru S2
• SMILES: [Ru]12345([OH]CC[OH]1)(N=O)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: (Glycol-κ^2^<i>O</i>,<i>O</i>')nitrosyl(η^5^-pentamethylcyclopentadienyl)ruthenium(II) bis(trifluoromethanesulfonate)
• Authors of publication: Munie, Semeret; Larsen, Anna; Gembicky, Milan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m293 - m293
• a: 8.5593 ± 0.0002 Å
• b: 30.5443 ± 0.0007 Å
• c: 8.8608 ± 0.0002 Å
• α: 90°
• β: 91.295 ± 0.001°
• γ: 90°
• Cell volume: 2315.96 ± 0.09 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 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: 0.0269
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes