Information card for entry 4320000

Structure parameters

• Formula: C23 H20 N2 O6 S2
• Calculated formula: C23 H20 N2 O6 S2
• SMILES: S(c1c(cccc1)C(=O)OC)Cc1nc(cc(N(=O)=O)c1)CSc1c(cccc1)C(=O)OC
• Title of publication: Comparative Study of NS~2~(S-aryl) Pyridine-Based Dithia-Containing Ligands with Different Substituent Groups. Reactivity toward Cu(II) and Ru(II)
• Authors of publication: Francesc Teixidor; Pilar Anglès; Clara Viñas; Raikko Kivekäs; Reijo Sillanpää
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4010 - 4015
• a: 12.072 ± 0.003 Å
• b: 25.292 ± 0.005 Å
• c: 7.377 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2252.4 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No