Information card for entry 1100945

Structure parameters

• Formula: C27.25 H20 Cl2 N5 O4.25 Ru S
• Calculated formula: C27.25 H20 Cl2 N5 O4.25 Ru S
• SMILES: Cl[Ru]123([n]4c5ccccc5sc4c4[n]1cccc4)[n]1ccccc1c1[n]3c(c3[n]2cccc3)ccc1.[O-]Cl(=O)(=O)=O.CO
• Title of publication: Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects
• Authors of publication: Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3499 - 3511
• a: 13.6062 ± 0.0016 Å
• b: 15.2525 ± 0.0018 Å
• c: 15.6016 ± 0.0019 Å
• α: 113.505 ± 0.002°
• β: 93.348 ± 0.002°
• γ: 105.418 ± 0.002°
• Cell volume: 2812.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No