Information card for entry 7220726

Structure parameters

• Formula: C42 H48 N6 O22 S4 Zn
• Calculated formula: C42 H48 N6 O22 S4 Zn
• SMILES: c1(cc(c2cc[n](cc2)[Zn]([OH2])([OH2])([n]2ccc(c3cc(cc(c4cc[nH+]cc4)n3)c3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3)cc2)([OH2])[OH2])nc(c2cc[nH+]cc2)c1)c1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc1.O.O.O.O.O.O
• Title of publication: Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups
• Authors of publication: Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 29
• Pages of publication: 5538
• a: 22.103 ± 0.003 Å
• b: 19.932 ± 0.003 Å
• c: 15.101 ± 0.002 Å
• α: 90°
• β: 130.848 ± 0.002°
• γ: 90°
• Cell volume: 5032.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1685
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2462
• Weighted residual factors for all reflections included in the refinement: 0.3006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No