Information card for entry 2003135

Structure parameters

• Chemical name: tetrakis(4-chloropyridinium) decachlorotrimercurate(II)
• Formula: C20 H20 Cl14 Hg3 N4
• Calculated formula: C20 H20 Cl14 Hg3 N4
• SMILES: c1cc(cc[nH+]1)Cl.c1(cc[nH+]cc1)Cl.Cl[Hg](Cl)([Cl-])[Cl-].[Hg](Cl)Cl.c1cc(cc[nH+]1)Cl.c1cc(cc[nH+]1)Cl.Cl[Hg](Cl)([Cl-])[Cl-]
• 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: 9.907 ± 0.003 Å
• b: 13.226 ± 0.002 Å
• c: 7.282 ± 0.002 Å
• α: 84.41 ± 0.02°
• β: 74.81 ± 0.02°
• γ: 87.34 ± 0.02°
• Cell volume: 916.2 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 2.2
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No