Information card for entry 7063277

Structure parameters

• Formula: C46 H36 Cd O4 P2 S2
• Calculated formula: C46 H36 Cd O4 P2 S2
• Title of publication: Synthesis of a series of Cd(ii) furan-2-thiocarobxylates: unprecedented coordination geometry of a Cd(ii) complex exhibiting catalytic efficiency for the synthesis of 3,4-dihydropyrimidine-2(1H)-one derivatives
• Authors of publication: Kumar, Krishna; Shrivastav, Akash; Sakshi,; Choudhury, Angshuman Roy; Bhattacharya, Subrato
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 12654 - 12663
• a: 16.1782 ± 0.0007 Å
• b: 19.8407 ± 0.0007 Å
• c: 26.3583 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8460.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No