Information card for entry 2233787

Structure parameters

• Chemical name: <i>catena</i>-Poly[bis(dibenzylammonium) [[dichloridomercurate(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']]
• Formula: C28 H32 Cl2 Hg N2 O4 S
• Calculated formula: C28 H32 Cl2 Hg N2 O4 S
• SMILES: [Hg](Cl)(Cl)(OS(=O)(=O)[O-])OS(=O)(=O)O[Hg](Cl)Cl.[NH2+](Cc1ccccc1)Cc1ccccc1.c1(ccccc1)C[NH2+]Cc1ccccc1.[NH2+](Cc1ccccc1)Cc1ccccc1.c1(ccccc1)C[NH2+]Cc1ccccc1
• Title of publication: <i>catena</i>-Poly[bis(dibenzylammonium) [[dichloridomercurate(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']]
• Authors of publication: Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Grosjean, Arnaud; Guionneau, Philippe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m340
• a: 22.8275 ± 0.0005 Å
• b: 12.9547 ± 0.0003 Å
• c: 10.1512 ± 0.0003 Å
• α: 90°
• β: 92.095 ± 0.002°
• γ: 90°
• Cell volume: 2999.94 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes