Information card for entry 7211363

Structure parameters

• Formula: C28 H26 Cl4 N10 S2 Zn2
• Calculated formula: C28 H26 Cl4 N10 S2 Zn2
• SMILES: C1n2n[n]([Zn](Cl)([n]3ccc(Cn4cc(CSc5ccccn5)[n](n4)[Zn]([n]4ccc1cc4)(Cl)Cl)cc3)Cl)c(c2)CSc1ccccn1
• Title of publication: Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles
• Authors of publication: Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 48
• Pages of publication: 10451
• a: 8.9397 ± 0.0005 Å
• b: 17.7137 ± 0.0009 Å
• c: 10.9396 ± 0.0006 Å
• α: 90°
• β: 100.914 ± 0.001°
• γ: 90°
• Cell volume: 1701.01 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No