Information card for entry 1100942

Structure parameters

• Formula: C28.5 H21.25 Cl3 N6.75 O14 Ru
• Calculated formula: C28.5 H21.25 Cl3 N6.75 O14 Ru
• SMILES: [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O=N[Ru]123([n]4c5ccccc5oc4c4[n]1cccc4)[n]1ccccc1c1[n]3c(c3[n]2cccc3)ccc1.CC#N
• 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: 21.1704 ± 0.0018 Å
• b: 30.04 ± 0.003 Å
• c: 14.8373 ± 0.0013 Å
• α: 90°
• β: 133.379 ± 0.001°
• γ: 90°
• Cell volume: 6858.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No