Information card for entry 4329351

Structure parameters

• Formula: C26 H22 N4 S2
• Calculated formula: C26 H22 N4 S2
• SMILES: S(/C(=N\Nc1ccccc1)c1ccccc1)SC(=N\Nc1ccccc1)/c1ccccc1
• Title of publication: Filling Gaps in the Series of Noninnocent Hetero-1,3-diene Chelate Ligands: Ruthenium Complexes of Redox-Active α-Azocarbonyl and α-Azothiocarbonyl Ligands RNNC(R')E, E = O or S
• Authors of publication: Fabian Ehret; Martina Bubrin; Ralph Hübner; David Schweinfurth; Ingo Hartenbach; Stanislav Záliš; Wolfgang Kaim
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6237 - 6244
• a: 17.5049 ± 0.0007 Å
• b: 7.9089 ± 0.0003 Å
• c: 17.6023 ± 0.0007 Å
• α: 90°
• β: 106.705 ± 0.002°
• γ: 90°
• Cell volume: 2334.1 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1488
• 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