Information card for entry 4329349

Structure parameters

• Formula: C23 H24 N2 O4 Ru S
• Calculated formula: C23 H24 N2 O4 Ru S
• SMILES: [Ru]123(SC(=NN1c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)C)C)[O]=C(C=C(O3)C)C
• 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: 16.4704 ± 0.0005 Å
• b: 14.3426 ± 0.0005 Å
• c: 9.4783 ± 0.0003 Å
• α: 90°
• β: 97.306 ± 0.001°
• γ: 90°
• Cell volume: 2220.86 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0262
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No