Information card for entry 7063278

Structure parameters

• Formula: C68.3 H55.5 Cd2 Na2 O14.3 P2 S6
• Calculated formula: C68.3 H55.5 Cd2 Na2 O14.3 P2 S6
• 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: 10.359 ± 0.003 Å
• b: 10.818 ± 0.004 Å
• c: 18.626 ± 0.006 Å
• α: 86.81 ± 0.016°
• β: 81.612 ± 0.017°
• γ: 64.754 ± 0.015°
• Cell volume: 1867.7 ± 1.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1
• 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: Yes
• Has Fobs: No