Information card for entry 2023496

Structure parameters

• Chemical name: Bis(μ-thiosemicarbazide-κ^3^<i>N</i>^1^,<i>S</i>:<i>S</i>;κ^3^<i>S</i>:<i>N</i>^1^,<i>S</i>)bis[(dimethylformamide-κ<i>O</i>)(thiosemicarbazide-κ^2^<i>N</i>^1^,<i>S</i>)cadmium(II)] tetrakis(2,4,6-trinitrophenolate)
• Formula: C34 H42 Cd2 N26 O30 S4
• Calculated formula: C34 H42 Cd2 N26 O30 S4
• Title of publication: Bis(μ-thiosemicarbazide-κ3 N 1,S:S;κ3 S:N 1,S)bis[(dimethylformamide-κO)(thiosemicarbazide-κ2 N 1,S)cadmium(II)] tetrakis(2,4,6-trinitrophenolate): synthesis, crystal structure and Hirshfeld surface analysis
• Authors of publication: Santhakumaria, R.; Ramamurthi, K.; Kaur, Manpreet; Jasinski, Jerry P.; Sagadevane, Suresh; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 6
• a: 10.5367 ± 0.0004 Å
• b: 10.9088 ± 0.0005 Å
• c: 14.1593 ± 0.0007 Å
• α: 92.782 ± 0.004°
• β: 109.796 ± 0.004°
• γ: 104.077 ± 0.004°
• Cell volume: 1469.98 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0421
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No