Information card for entry 7211359

Structure parameters

• Formula: C18 H18 Cl4 N8 S2 Zn2
• Calculated formula: C18 H18 Cl4 N8 S2 Zn2
• SMILES: C(n1cc2[n](n1)[Zn]([n]1c(cccc1)SC2)(Cl)Cl)Cn1cc2CSc3cccc[n]3[Zn]([n]2n1)(Cl)Cl
• 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: 13.584 ± 0.003 Å
• b: 7.9537 ± 0.0015 Å
• c: 12.942 ± 0.002 Å
• α: 90°
• β: 115.153 ± 0.004°
• γ: 90°
• Cell volume: 1265.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No