Information card for entry 2230505

Structure parameters

• Chemical name: Iodido{4-phenyl-1-[1-(1,3-thiazol-2-yl- κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>',<i>S</i>}{4- phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide- κ<i>S</i>}mercury(II)
• Formula: C24 H23 Hg I N8 S4
• Calculated formula: C24 H23 Hg I N8 S4
• SMILES: [Hg]12(I)(SC(=N[N]2=C(c2scc[n]12)C)Nc1ccccc1)[S]=C(N/N=C(c1sccn1)/C)Nc1ccccc1
• Title of publication: Iodido{4-phenyl-1-[1-(1,3-thiazol-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>',<i>S</i>}{4-phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide-κ<i>S</i>}mercury(II)
• Authors of publication: Dasary, Samuel S. R.; Arumugam, Sri Ranjini; Yu, Hongtao; Venkatraman, Ramaiyer; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m816 - m817
• a: 8.694 ± 0.002 Å
• b: 10.119 ± 0.002 Å
• c: 16.801 ± 0.004 Å
• α: 76.67 ± 0.013°
• β: 79.448 ± 0.012°
• γ: 77.19 ± 0.013°
• Cell volume: 1388.8 ± 0.5 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.073
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes