Information card for entry 2018115

Structure parameters

• Chemical name: <i>catena</i>-poly[[[dibromidomercury(II)]-μ-2,5-bis{5-methyl- 2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate]
• Formula: C29 H28 Br2 Hg N4 O4
• Calculated formula: C29 H28 Br2 Hg N4 O4
• SMILES: [Hg](Br)(Br)([n]1ccc(COc2c(c3nnc(c4c(ccc(c4)C)OCc4ccncc4)o3)cc(cc2)C)cc1)[n]1ccc(cc1)COc1ccc(cc1c1nnc(c2cc(ccc2OCc2cc[n]([Hg](Br)Br)cc2)C)o1)C.CO.CO
• Title of publication: Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)
• Authors of publication: Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m176 - m180
• a: 8.8247 ± 0.0012 Å
• b: 12.9673 ± 0.0018 Å
• c: 13.0197 ± 0.0018 Å
• α: 95.747 ± 0.002°
• β: 99.101 ± 0.002°
• γ: 98.902 ± 0.002°
• Cell volume: 1441.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes