Information card for entry 1561935

Structure parameters

• Formula: C22 H20 N6 O10 Zn
• Calculated formula: C22 H20 N6 O10 Zn
• SMILES: c1nccc(c1)/C=C/c1ccncc1.[OH2][Zn]12([n]3c(C(=O)O1)c(C(=O)O)[nH]c3)([n]1c(C(=O)O2)c(C(=O)O)[nH]c1)[OH2]
• Title of publication: Assembly and property research on seven 0D‒3D complexes derived from imidazole dicarboxylate and 1,2-bi(pyridin-4-yl)ethene
• Authors of publication: Mu, Bao; Li, Qian; Lv, Lei; Yang, Dan-Dan; Wang, Qing; Huang, Ru-Dan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 226
• Pages of publication: 1 - 10
• a: 5.0781 ± 0.0006 Å
• b: 6.7011 ± 0.0007 Å
• c: 18.2742 ± 0.0017 Å
• α: 94.294 ± 0.001°
• β: 97.715 ± 0.001°
• γ: 107.295 ± 0.002°
• Cell volume: 584.01 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1291
• Residual factor for significantly intense reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.3202
• Weighted residual factors for all reflections included in the refinement: 0.3257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No