Information card for entry 2019420

Structure parameters

• Chemical name: Di-μ-iodido-bis[(2,5-bis{2-methyl-5-[2-(pyridin-3-yl-κ<i>N</i>)ethenyl]phenyl}-1,3,4-oxadiazole)copper(I)]
• Formula: C60 H40 Cu2 I2 N8 O2
• Calculated formula: C60 H40 Cu2 I2 N8 O2
• SMILES: c1ccc2c[n]1[Cu]13([I][Cu]43([I]1)[n]1cccc(c1)C#Cc1ccc(C)c(c1)c1nnc(o1)c1c(C)ccc(c1)C#Cc1ccc[n]4c1)[n]1cccc(C#Cc3ccc(c(c4nnc(o4)c4c(ccc(C#C2)c4)C)c3)C)c1
• Title of publication: `0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI
• Authors of publication: Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 31 - 36
• a: 9.432 ± 0.0015 Å
• b: 10.508 ± 0.0018 Å
• c: 14.238 ± 0.002 Å
• α: 88.717 ± 0.002°
• β: 85.154 ± 0.002°
• γ: 67.344 ± 0.002°
• Cell volume: 1297.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0431
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes