Information card for entry 1561937

Structure parameters

• Formula: C22 H20 Cd N6 O10
• Calculated formula: C22 H20 Cd N6 O10
• SMILES: C1(=O)c2c([nH]c[n]2[Cd]2(O1)([OH2])([n]1c(C(=O)O2)c(C(=O)O)[nH]c1)[OH2])C(=O)O.c1cc(ccn1)/C=C/c1ccncc1
• 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: 5.0066 ± 0.0004 Å
• b: 6.9794 ± 0.0005 Å
• c: 17.8542 ± 0.001 Å
• α: 94.191 ± 0.005°
• β: 94.702 ± 0.005°
• γ: 104.881 ± 0.006°
• Cell volume: 598.05 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No