Information card for entry 4309429

Structure parameters

• Formula: C28 H22 Cl2 N6 O9 Ru
• Calculated formula: C28 H22 Cl2 N6 O9 Ru
• SMILES: [Ru]123([n]4ccccc4C(=O)c4[n]1cccc4)([n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1)[N]#CC.[O-]Cl(=O)(=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: 10.0946 ± 0.0014 Å
• b: 11.1302 ± 0.0011 Å
• c: 13.991 ± 0.002 Å
• α: 80.7 ± 0.013°
• β: 75.7 ± 0.011°
• γ: 84.439 ± 0.015°
• Cell volume: 1500.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No