Information card for entry 2225679

Structure parameters

• Chemical name: Bis(4,4'-bipyridyl)bis{2-[4,6-bis(carboxymethylsulfanyl)-1,3,5-triazin-2- ylsulfanyl]acetato}zinc(II)
• Formula: C38 H32 N10 O12 S6 Zn
• Calculated formula: C38 H32 N10 O12 S6 Zn
• SMILES: C(Sc1nc2nc(n1)SCC(=O)O[Zn]1([n]3ccc(cc3)c3ccncc3)([n]3ccc(cc3)c3ccncc3)([O]=C(CS2)O)[O]=C(CSc2nc(nc(n2)SCC(=O)O1)SCC(=O)O)O)C(=O)O
• Title of publication: Bis(4,4'-bipyridyl)bis{2-[4,6-bis(carboxymethylsulfanyl)-1,3,5-triazin-2-ylsulfanyl]acetato}zinc(II)
• Authors of publication: Wang, Suna; Yang, Yan; Li, Dacheng; Dou, Jianmin; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m370 - m371
• a: 8.6025 ± 0.0007 Å
• b: 8.7606 ± 0.0007 Å
• c: 15.3187 ± 0.0012 Å
• α: 99.518 ± 0.001°
• β: 105.802 ± 0.002°
• γ: 98.805 ± 0.001°
• Cell volume: 1071.41 ± 0.15 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: 0.0496
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes