Information card for entry 2230765

Structure parameters

• Chemical name: Bis(μ-<i>N</i>,<i>N</i>',<i>N</i>''-tri-3-pyridylpyridine-1,3,5- tricarboxamide-κ^2^<i>N</i>:<i>N</i>')bis[dichloridomercury(II)] methanol disolvate
• Formula: C50 H44 Cl4 Hg2 N12 O8
• Calculated formula: C50 H44 Cl4 Hg2 N12 O8
• SMILES: c1ccc2c[n]1[Hg](Cl)([n]1cccc(NC(=O)c3cc(cc(C(=O)Nc4ccc[n](c4)[Hg]([n]4cccc(NC(=O)c5cc(cc(C(=O)N2)c5)C(=O)Nc2cnccc2)c4)(Cl)Cl)c3)C(=O)Nc2cnccc2)c1)Cl.OC.OC
• Title of publication: Bis(μ-<i>N</i>,<i>N</i>',<i>N</i>''-tri-3-pyridylpyridine-1,3,5-tricarboxamide-κ^2^<i>N</i>:<i>N</i>')bis[dichloridomercury(II)] methanol disolvate
• Authors of publication: Wang, Pei; Wang, Yufei; Huang, Chao; Chang, Lixiang; Wu, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m859
• a: 8.6772 ± 0.0017 Å
• b: 12.243 ± 0.002 Å
• c: 13.53 ± 0.003 Å
• α: 66.81 ± 0.03°
• β: 84.66 ± 0.03°
• γ: 86.4 ± 0.03°
• Cell volume: 1315 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes