Information card for entry 4310510

Structure parameters

• Formula: C25 H20 Cl N7 O6 Ru
• Calculated formula: C25 H20 Cl N7 O6 Ru
• SMILES: [Ru]123([n]4c(Nc5[n]1cccc5)cccc4)([n]1c(cccc1)c1[n]2c(ccc1)c1[n]3cccc1)N(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Stepwise Synthesis of [Ru(trpy)(L)(X)]n+ (trpy = 2,2':6',2''-Terpyridine; L = 2,2'-Dipyridylamine; X = Cl-, H2O, NO2-, NO+, O2-). Crystal Structure, Spectral, Electron-Transfer, and Photophysical Aspects
• Authors of publication: Nripen Chanda; Shaikh M. Mobin; Vedavati G. Puranik; Anindya Datta; Mark Niemeyer; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1056 - 1064
• a: 12.601 ± 0.0011 Å
• b: 14.918 ± 0.0009 Å
• c: 14.36 ± 0.002 Å
• α: 90 ± 0.008°
• β: 115.326 ± 0.009°
• γ: 90 ± 0.006°
• Cell volume: 2440 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0332
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No