Information card for entry 1100944

Structure parameters

• Formula: C27 H20 Cl N6 O7.5 Ru
• Calculated formula: C27 H20 Cl N6 O7.5 Ru
• SMILES: [O-]Cl(=O)(=O)=O.O=N(=O)[Ru]123([n]4c5ccccc5oc4c4[n]1cccc4)[n]1ccccc1c1[n]3c(c3[n]2cccc3)ccc1.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: 11.196 ± 0.0009 Å
• b: 14.428 ± 0.001 Å
• c: 34.039 ± 0.006 Å
• α: 90 ± 0.011°
• β: 90 ± 0.01°
• γ: 90 ± 0.006°
• Cell volume: 5498.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No