Information card for entry 4350258

Structure parameters

• Formula: C10 H20 Cl2 N2 O2 Ru S2
• Calculated formula: C10 H20 Cl2 N2 O2 Ru S2
• SMILES: [Ru]1([S](=O)(C)C)([S](=O)(C)C)(Cl)(Cl)[NH2]c2c([NH2]1)cccc2
• Title of publication: The very covalent diammino(o-benzoquinonediimine) dichlororuthenium(II). An example of very strong pi-back-donation.
• Authors of publication: Rusanova, Julia; Rusanov, Eduard; Gorelsky, S. I.; Christendat, Dharamdat; Popescu, Raluca; Farah, Abdiaziz A.; Beaulac, Rémi; Reber, Christian; Lever, A. B. P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6246 - 6262
• a: 12.6292 ± 0.0007 Å
• b: 8.1826 ± 0.0004 Å
• c: 15.5387 ± 0.0009 Å
• α: 90°
• β: 98.459 ± 0.002°
• γ: 90°
• Cell volume: 1588.3 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No