Information card for entry 2231693

Structure parameters

• Chemical name: Di-μ-chlorido-bis{[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]chloridomercury(II)}
• Formula: C24 H20 Cl4 Hg2 N12
• Calculated formula: C24 H20 Cl4 Hg2 N12
• SMILES: c1(n[n]2[Hg]3(Cl)([Cl][Hg]4([n]5ccccc5c5[n]4nc(c4ccccn4)n5N)(Cl)[Cl]3)[n]3ccccc3c2n1N)c1ccccn1
• Title of publication: Di-μ-chlorido-bis{[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]chloridomercury(II)}
• Authors of publication: Guo, Jian; Tang, Min; Chen, Jing; Li, Cheng-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1180
• a: 11.3634 ± 0.0004 Å
• b: 14.9962 ± 0.0006 Å
• c: 17.2328 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2936.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes