Information card for entry 2011676

Structure parameters

• Common name: mercury(II) complex of benzothiazole
• Chemical name: Catena-(2-methyl-benzo-1-thia-3-azolium-μ-dichloromercurate(II))
• Formula: C8 H7 Cl2 Hg N S
• Calculated formula: C8 H7 Cl2 Hg N S
• SMILES: [Hg](Cl)(Cl)[n]1c(sc2c1cccc2)C
• Title of publication: <i>catena</i>-Poly[[(2-methyl-1,3-benzothiazole-<i>N</i>)mercury(II)]-di-μ-chloro]
• Authors of publication: Popović, Zora; Mrvoš-Sermek, Draginja; Soldin, Željka; Tralić-Kulenović, Vesna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 20 - 21
• a: 7.346 ± 0.001 Å
• b: 9.6957 ± 0.0006 Å
• c: 14.915 ± 0.001 Å
• α: 90°
• β: 94.69 ± 0.03°
• γ: 90°
• Cell volume: 1058.76 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No