Information card for entry 2018113

Structure parameters

• Chemical name: 2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole
• Formula: C28 H24 N4 O3
• Calculated formula: C28 H24 N4 O3
• SMILES: c1cc(ccn1)COc1ccc(cc1c1nnc(c2cc(ccc2OCc2ccncc2)C)o1)C
• 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: 12.479 ± 0.004 Å
• b: 11.452 ± 0.004 Å
• c: 16.776 ± 0.006 Å
• α: 90°
• β: 98.766 ± 0.006°
• γ: 90°
• Cell volume: 2369.4 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes