Information card for entry 7063280

Structure parameters

• Formula: C68 H52 Br1.74 Cd2 Cl0.25 O8 P2 S4
• Calculated formula: C68 H52 Br1.74 Cd2 Cl0.248 O8 P2 S4
• 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; Choudhary, Sakshi; Roychoudhury, Angshuman; Bhattacharya, Subrato
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 9.5004 ± 0.0002 Å
• b: 12.9536 ± 0.0003 Å
• c: 13.7167 ± 0.0003 Å
• α: 84.312 ± 0.002°
• β: 76.622 ± 0.002°
• γ: 81.227 ± 0.002°
• Cell volume: 1619.44 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No