Information card for entry 2218026

Structure parameters

• Chemical name: Bis{μ-2,5-bis[4-(2-pyridylmethylamino)phenyl]-1,3,4- oxadiazole}bis[dichloridomercury(II)]
• Formula: C52 H44 Cl4 Hg2 N12 O2
• Calculated formula: C52 H44 Cl4 Hg2 N12 O2
• SMILES: c1nc(CNc2ccc(cc2)c2nnc(o2)c2ccc([NH]3Cc4[n](cccc4)[Hg]3(Cl)Cl)cc2)ccc1
• Title of publication: Bis{μ-2,5-bis[4-(2-pyridylmethylamino)phenyl]-1,3,4-oxadiazole}bis[dichloridomercury(II)]
• Authors of publication: Liu, Li-Li; Hou, Gui-Ge; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m555
• a: 8.5426 ± 0.0019 Å
• b: 9.945 ± 0.002 Å
• c: 16.533 ± 0.004 Å
• α: 83.773 ± 0.003°
• β: 80.001 ± 0.003°
• γ: 67.671 ± 0.002°
• Cell volume: 1278.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes