Information card for entry 2209424

Structure parameters

• Chemical name: catena-Poly[(2-phenylethyl)ammonium [dichloromercurate(II)-μ~3~-chloro]]
• Formula: C8 H12 Cl3 Hg N
• Calculated formula: C8 H12 Cl3 Hg N
• SMILES: [Hg](Cl)(Cl)[Cl-].c1(ccccc1)CC[NH3+]
• Title of publication: <i>catena</i>-Poly[(2-phenylethyl)ammonium [dichloromercurate(II)-μ~3~-chloro]]
• Authors of publication: Rademeyer, Melanie; David G. Billing; A. Lemmerer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1716 - m1718
• a: 5.9927 ± 0.0009 Å
• b: 7.8267 ± 0.0012 Å
• c: 25.971 ± 0.004 Å
• α: 90°
• β: 96.184 ± 0.004°
• γ: 90°
• Cell volume: 1211 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes