Information card for entry 1573811

Structure parameters

• Formula: C39 H29 In N2 O6 S6
• Calculated formula: C39 H29 In N2 O6 S6
• SMILES: [In]1234([O]=C(O2)CSC(=S)c2ccccc2)([n]2c5c6[n]3cccc6ccc5ccc2)(OC(=[O]4)CSC(=S)c2ccccc2)OC(=[O]1)CSC(=S)c1ccccc1
• Title of publication: Synthesis and characterization of In(III) <i>S</i>-thiobenzoylthioglycolate complexes and their catalytic applications in CO₂ fixation and multicomponent synthetic reactions.
• Authors of publication: Pratap, Rajesh; Sahani, Raj Kumar; Maddeshiya, Tarkeshwar; Tripathi, Himanshu Shekhar; Pandey, Mrituanjay D.; Bhattacharya, Subrato
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 4518 - 4529
• a: 10.9278 ± 0.0002 Å
• b: 9.492 ± 0.0002 Å
• c: 19.0268 ± 0.0004 Å
• α: 90°
• β: 97.401 ± 0.002°
• γ: 90°
• Cell volume: 1957.14 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No