Information card for entry 7714345

Structure parameters

• Formula: C25 H17 In N2 O6 S3
• Calculated formula: C25 H17 In N2 O6 S3
• Title of publication: Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation
• Authors of publication: Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.2359 ± 0.0003 Å
• b: 11.5628 ± 0.0005 Å
• c: 24.6971 ± 0.0009 Å
• α: 90°
• β: 96.274 ± 0.003°
• γ: 90°
• Cell volume: 2621.68 ± 0.17 ų
• Cell temperature: 250 ± 0.02 K
• Ambient diffraction temperature: 250 ± 0.02 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No