Information card for entry 4310509

Structure parameters

• Formula: C25 H20 Cl2 N6 O4 Ru
• Calculated formula: C25 H20 Cl2 N6 O4 Ru
• SMILES: [Ru]123(Cl)([n]4c(Nc5[n]1cccc5)cccc4)[n]1c(cccc1)c1[n]2c(ccc1)c1[n]3cccc1.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: 12.537 ± 0.004 Å
• b: 14.545 ± 0.005 Å
• c: 14.499 ± 0.007 Å
• α: 90°
• β: 114.98 ± 0.03°
• γ: 90°
• Cell volume: 2396.6 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No