Information card for entry 2018983

Structure parameters

• Chemical name: Diacetonitriledi-μ~3~-iodido-di-μ~2~-iodido-bis(4-methyl-{5-[5-methyl-2-(pyridin-4-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-4-carboxylate)tetracopper(I)
• Formula: C60 H46 Cu4 I4 N10 O10
• Calculated formula: C60 H46 Cu4 I4 N10 O10
• SMILES: c1[n]2ccc(c1)C(=O)Oc1ccc(C)cc1c1nnc(o1)c1c(OC(=O)c3cc[n](cc3)[Cu]34([I]5[Cu]6782[I][Cu]28([I]6[Cu]457([I]3)[n]3ccc(cc3)C(=O)Oc3ccc(C)cc3c3nnc(o3)c3cc(C)ccc3OC(=O)c3cc[n]2cc3)[N]#CC)[N]#CC)ccc(c1)C
• Title of publication: The coordination chemistry of two symmetric double-armed oxadiazole-bridged organic ligands with copper salts
• Authors of publication: Wu, Xiang-Wen; Xin, Meng-Meng; Ma, Jian-Ping; Wu, Zhen-Hua; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 601 - 605
• a: 9.26 ± 0.002 Å
• b: 12.597 ± 0.003 Å
• c: 15.623 ± 0.004 Å
• α: 96.709 ± 0.004°
• β: 102.843 ± 0.004°
• γ: 108.464 ± 0.004°
• Cell volume: 1650.4 ± 0.7 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: 0.067
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes