Information card for entry 2003134

Structure parameters

• Chemical name: tetrakis(3-chloropyridinium) decachlorotrimercurate(II)
• Formula: C20 H20 Cl14 Hg3 N4
• Calculated formula: C20 H20 Cl14 Hg3 N4
• SMILES: [Hg](Cl)Cl.[Cl-][Hg](Cl)(Cl)[Cl-].[Cl-][Hg](Cl)(Cl)[Cl-].Clc1c[nH+]ccc1.Clc1c[nH+]ccc1.Clc1c[nH+]ccc1.Clc1c[nH+]ccc1
• Title of publication: Polynuclear chloromercurate(II) systems in their chloropyridinium salts
• Authors of publication: Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 396 - 409
• a: 7.522 ± 0.002 Å
• b: 28.046 ± 0.003 Å
• c: 9.165 ± 0.002 Å
• α: 90°
• β: 105.78 ± 0.02°
• γ: 90°
• Cell volume: 1860.6 ± 0.7 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0562
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.95
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes