Information card for entry 4324361

Structure parameters

• Formula: C20 H18 N2 O2 S2
• Calculated formula: C20 H18 N2 O2 S2
• SMILES: N(C1=CC(=O)C(=CC1=O)Nc1c(SC)cccc1)c1c(SC)cccc1
• Title of publication: One-Pot Synthesis of Symmetric and Asymmetric p-Quinone Ligands and Unprecedented Substituent Induced Reactivity in Their Dinuclear Ruthenium Complexes
• Authors of publication: David Schweinfurth; Hari Sankar Das; Fritz Weisser; Denis Bubrin; Biprajit Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1150 - 1159
• a: 3.8774 ± 0.0001 Å
• b: 9.3734 ± 0.0003 Å
• c: 11.8747 ± 0.0004 Å
• α: 93.894 ± 0.002°
• β: 97.976 ± 0.002°
• γ: 95.969 ± 0.002°
• Cell volume: 423.6 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No