Information card for entry 2203117

Structure parameters

• Chemical name: Di-iodo-bis(o-chlorophenylbenzoylthiourea-κS)mercury(II)
• Formula: C28 H22 Cl2 Hg I2 N4 O2 S2
• Calculated formula: C28 H22 Cl2 Hg I2 N4 O2 S2
• SMILES: C(NC(=O)c1ccccc1)(=[S][Hg](I)(I)[S]=C(NC(=O)c1ccccc1)Nc1ccccc1Cl)Nc1ccccc1Cl
• Title of publication: Bis(<i>o</i>-chlorophenylbenzoylthiourea-κ<i>S</i>)diiodomercury(II)
• Authors of publication: Yusof, M. Sukeri. M.; Yamin, Bohari. M.; Kassim, M. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m98 - m99
• a: 20.9 ± 0.004 Å
• b: 8.8496 ± 0.0018 Å
• c: 19.845 ± 0.004 Å
• α: 90°
• β: 118.26 ± 0.03°
• γ: 90°
• Cell volume: 3233 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes