Information card for entry 4350568

Structure parameters

• Formula: C54 H36 Cl6 Cu N8 O18
• Calculated formula: C54 H36 Cl6 Cu N8 O18
• SMILES: [Cu]12([n]3ccc(C(=O)Oc4ccccc4c4nnc(c5ccccc5OC(=O)c5cc[n]1cc5)o4)cc3)[n]1ccc(cc1)C(=O)Oc1ccccc1c1nnc(c3ccccc3OC(=O)c3cc[n]2cc3)o1.C(Cl)Cl.C(Cl)Cl.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.
• Authors of publication: Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10613 - 10628
• a: 9.0439 ± 0.001 Å
• b: 20.111 ± 0.002 Å
• c: 15.6438 ± 0.0017 Å
• α: 90°
• β: 91.563 ± 0.002°
• γ: 90°
• Cell volume: 2844.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No