Information card for entry 2220528

Structure parameters

• Chemical name: Bis(μ-<i>N</i>,<i>N</i>'-di-3-pyridylpyridine-2,6- dicarboxamide)bis[dichloridomercury(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Formula: C40 H40 Cl4 Hg2 N12 O6
• Calculated formula: C40 H40 Cl4 Hg2 N12 O6
• SMILES: c1[n]2cc(NC(=O)c3nc(ccc3)C(=O)Nc3c[n](ccc3)[Hg]([n]3cccc(c3)NC(=O)c3cccc(n3)C(=O)Nc3ccc[n]([Hg]2(Cl)Cl)c3)(Cl)Cl)cc1.N(C)(C)C=O.N(C)(C)C=O
• Title of publication: Bis(μ-<i>N</i>,<i>N</i>'-di-3-pyridylpyridine-2,6-dicarboxamide)bis[dichloridomercury(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Huang, Li-Hua; Wu, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m15 - m16
• a: 7.4947 ± 0.0015 Å
• b: 12.262 ± 0.003 Å
• c: 13.284 ± 0.003 Å
• α: 79.79 ± 0.03°
• β: 73.74 ± 0.03°
• γ: 76.21 ± 0.03°
• Cell volume: 1130.2 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes