Information card for entry 4349266

Structure parameters

• Formula: C68 H56 Cl N16 O8 Ru2
• Calculated formula: C68 H56 Cl N16 O8 Ru2
• SMILES: c12ccccc1[N](=O)[Ru]13([N]2=O)([n]2ccccc2N=[N]1c1ccccc1)[N](=Nc1[n]3cccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.c1ccccc1.c1ccccc1.c12ccccc1[N](=O)[Ru]13([N]2=O)([n]2ccccc2N=[N]1c1ccccc1)[N](=Nc1[n]3cccc1)c1ccccc1
• Title of publication: Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.
• Authors of publication: Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12832 - 12843
• a: 11.9135 ± 0.0006 Å
• b: 11.2559 ± 0.0008 Å
• c: 48.174 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6460 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No