Information card for entry 1573813

Structure parameters

• Formula: C37 H29 In N2 O6 S6
• Calculated formula: C37 H29 In N2 O6 S6
• SMILES: [In]1234(OC(=[O]2)CSC(=S)c2ccccc2)([O]=C(O1)CSC(=S)c1ccccc1)([O]=C(O3)CSC(=S)c1ccccc1)[n]1c(c2[n]4cccc2)cccc1
• 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: 28.2437 ± 0.0006 Å
• b: 17.5038 ± 0.0003 Å
• c: 14.8073 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7320.3 ± 0.2 ų
• Cell temperature: 99.98 ± 0.18 K
• Ambient diffraction temperature: 99.98 ± 0.18 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No