Information card for entry 2018500

Structure parameters

• Chemical name: bis{μ-1,2-bis[4-(pyridin-3-yl)phenoxy]ethane- κ^2^<i>N</i>:<i>N</i>'}bis[dibromidomercury(II)]
• Formula: C48 H40 Br4 Hg2 N4 O4
• Calculated formula: C48 H40 Br4 Hg2 N4 O4
• SMILES: Br[Hg]1(Br)[n]2cccc(c2)c2ccc(OCCOc3ccc(cc3)c3ccc[n](c3)[Hg]([n]3cccc(c3)c3ccc(OCCOc4ccc(cc4)c4ccc[n]1c4)cc3)(Br)Br)cc2
• Title of publication: The structures of three Hg~2~<i>X</i>~4~<i>L</i>~2~ macrocycles {<i>X</i> = Cl, Br and I, and <i>L</i> = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands
• Authors of publication: Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m156 - m160
• a: 9.021 ± 0.004 Å
• b: 11.096 ± 0.004 Å
• c: 11.914 ± 0.005 Å
• α: 81.812 ± 0.005°
• β: 78.764 ± 0.005°
• γ: 81.635 ± 0.005°
• Cell volume: 1149.2 ± 0.8 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: 0.0511
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes