Information card for entry 7063742

Structure parameters

• Formula: C13 H10 Hg I2 N4 O3
• Calculated formula: C13 H10 Hg I2 N4 O3
• Title of publication: Insights into the spodium bonding characteristics of a bactericidal Hg(ii) complex
• Authors of publication: Sheikh, Afzal Hussain; Choudhury, Rizwana Begum; Deb, Vishal Kumar; Shahnowaz, Toufique; Mukherjee, Souryadeep; Pramanick, Kousik; Kaminsky, Werner; Choudhury, Nurul Alam; Roy, Subhadip; Shukla, Rahul; Gurbanov, Atash V.; Mahmoudi, Ghodrat; Adhikari, Suman
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 7900 - 7909
• a: 4.5746 ± 0.0004 Å
• b: 12.0177 ± 0.0011 Å
• c: 16.8741 ± 0.0017 Å
• α: 109.531 ± 0.006°
• β: 90.485 ± 0.006°
• γ: 93.749 ± 0.005°
• Cell volume: 871.97 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No