Information card for entry 4309430

Structure parameters

• Formula: C26 H19 Cl N6 O7 Ru
• Calculated formula: C26 H19 Cl N6 O7 Ru
• SMILES: [Ru]123([n]4ccccc4C(=O)c4[n]1cccc4)([n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1)N(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Complex Series [Ru(tpy)(dpk)(X)]n+ (tpy = 2,2':6',2''-Terpyridine; dpk = 2,2'-Dipyridyl Ketone; X = Cl-, CH3CN, NO2-, NO+, NO., NO-): Substitution and Electron Transfer, Structure, and Spectroscopy
• Authors of publication: Sounak Sarkar; Biprajit Sarkar; Nripen Chanda; Sanjib Kar; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6092 - 6099
• a: 8.695 ± 0.0007 Å
• b: 19.876 ± 0.0019 Å
• c: 15.63 ± 0.003 Å
• α: 90°
• β: 105.503 ± 0.011°
• γ: 90°
• Cell volume: 2602.9 ± 0.6 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: 0.074
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No