Information card for entry 7064400

Structure parameters

• Formula: C34 H32 Fe2 N2 S6 Zn
• Calculated formula: C34 H32 Fe2 N2 S6 Zn
• Title of publication: Ferrocene-functionalized dithiocarbamate complexes bearing thiophene arms: synthesis, crystal structure, electrochemical characterization, in silico interaction profiling, and apoptosis induction in HeLa cells
• Authors of publication: Makwana, Bhaveshkumar B.; Parmar, Heena A.; Khan, Adam N.; Padrón, José M.; Tarpada, Umesh P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 5848 - 5864
• a: 15.7225 ± 0.0002 Å
• b: 15.8143 ± 0.0002 Å
• c: 30.8255 ± 0.0004 Å
• α: 90°
• β: 100.323 ± 0.001°
• γ: 90°
• Cell volume: 7540.4 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2483
• Weighted residual factors for all reflections included in the refinement: 0.263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No