Information card for entry 2021842

Structure parameters

• Chemical name: <i>catena</i>-Poly[[copper(I)-di-μ-iodido-copper(I)-bis(μ-2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole)] 1,4-dioxane monosolvate]
• Formula: C38 H34 Cu2 I2 N10 O4
• Calculated formula: C38 H34 Cu2 I2 N10 O4
• SMILES: c1cn2c[n]1[Cu]13([I][Cu]41([I]3)[n]1ccn(c1)Cc1ccc(cc1)c1nnc(c3cc[n](cc3)[Cu](I)[n]3ccn(c3)Cc3ccc(cc3)c3nnc(c5cc[n]4cc5)o3)o1)[n]1ccc(c3nnc(c4ccc(Cn5cc[n](c5)[Cu]([n]5ccc(c6nnc(c7ccc(C2)cc7)o6)cc5)I)cc4)o3)cc1.C1OCCOC1.C1OCCOC1
• Title of publication: Three Ag^I^, Cu^I^ and Cd^II^ coordination polymers based on the new asymmetrical ligand 2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole: syntheses, characterization and emission properties
• Authors of publication: Jin, Guo-Xia; You, Tian-Chao; Ma, Jian-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• a: 9.6124 ± 0.0006 Å
• b: 9.7864 ± 0.0008 Å
• c: 12.7314 ± 0.001 Å
• α: 96.787 ± 0.006°
• β: 110.599 ± 0.006°
• γ: 93.325 ± 0.006°
• Cell volume: 1106.82 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2149
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No