Information card for entry 1100941

Structure parameters

• Formula: C28 H26 Cl3 N7 O15 Ru
• Calculated formula: C28 H26 Cl3 N7 O15 Ru
• SMILES: [Ru]123([n]4c5c(n(c4c4[n]1cccc4)C)cccc5)([n]1c(c4[n]2c(c2[n]3cccc2)ccc4)cccc1)N=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• 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: 9.2829 ± 0.0014 Å
• b: 10.4319 ± 0.0015 Å
• c: 18.729 ± 0.003 Å
• α: 104.955 ± 0.002°
• β: 92.655 ± 0.002°
• γ: 95.718 ± 0.002°
• Cell volume: 1738.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No