Information card for entry 1562764

Structure parameters

• Formula: C34 H24 N6 O10 Zn2
• Calculated formula: C34 H24 N6 O10 Zn2
• SMILES: [Zn]12([OH2])[O]=C(O1)c1cc(nc(c3cccnc3)c1)c1ccc[n](c1)[Zn]13([OH2])([O]=C(O1)c1cc(nc(c4ccc[n]2c4)c1)c1cccnc1)[O]=C2C(O3)=[O][Zn]13(O2)([OH2])[O]=C(O1)c1cc(nc(c2cccnc2)c1)c1ccc[n](c1)[Zn]12([OH2])(OC(=O)C(=O)O2)[O]=C(O1)c1cc(nc(c2ccc[n]3c2)c1)c1ccc[n]c1
• Title of publication: Hydrothermal syntheses, crystal structures and luminescence properties of zinc(II) and cadmium(II) coordination polymers based on bifunctional 3,2′:6′,3′′-terpyridine-4′-carboxylic acid
• Authors of publication: Li, Na; Guo, Hui-Lin; Hu, Huai-Ming; Song, Juan; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 198
• Pages of publication: 416 - 423
• a: 8.091 ± 0.004 Å
• b: 9.239 ± 0.004 Å
• c: 11.775 ± 0.007 Å
• α: 68.058 ± 0.005°
• β: 81.922 ± 0.008°
• γ: 78.924 ± 0.006°
• Cell volume: 799 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No