Information card for entry 7714350

Structure parameters

• Formula: C27 H19 In N2 O7 S3
• Calculated formula: C27 H19 In N2 O7 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: 10.406 ± 0.003 Å
• b: 10.762 ± 0.003 Å
• c: 13.307 ± 0.004 Å
• α: 112.718 ± 0.008°
• β: 105.609 ± 0.007°
• γ: 94.128 ± 0.007°
• Cell volume: 1297.7 ± 0.7 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No