Information card for entry 7055905

Structure parameters

• Formula: C16 H16 Cl2 N2 Ru S2
• Calculated formula: C16 H16 Cl2 N2 Ru S2
• SMILES: c12[S]([Ru]34(Cl)([N](c2cccc1)=CC=[N]3c1ccccc1[S]4C)Cl)C
• Title of publication: Glyoxalbis(2-methylmercaptoanil) complexes of nickel and ruthenium: radical versus non-radical states
• Authors of publication: Saha, Pinaki; Samanta, Debasish; Ghosh, Prasanta
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 1149
• a: 7.4899 ± 0.0003 Å
• b: 24.1677 ± 0.0008 Å
• c: 19.6549 ± 0.0007 Å
• α: 90°
• β: 100.84 ± 0.001°
• γ: 90°
• Cell volume: 3494.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No