Information card for entry 1561882

Structure parameters

• Formula: C22 H22 Cu6 I6 N6 O4
• Calculated formula: C22 H22 Cu6 I6 N6 O4
• SMILES: [I]1[Cu]234[I]5[Cu]63([N]3=C(OCC3)c3[n]2c(C2OCC[N]4=2)ccc3)[I][Cu]216[I]1[Cu]346[I][Cu]752[I][Cu]147[N]1=C(c2cccc([n]32)C2OCC[N]6=2)OCC1
• Title of publication: Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands
• Authors of publication: Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 228
• Pages of publication: 65 - 75
• a: 8.7584 ± 0.0012 Å
• b: 9.5342 ± 0.0013 Å
• c: 10.9036 ± 0.0015 Å
• α: 93.622 ± 0.002°
• β: 101.83 ± 0.002°
• γ: 98.9 ± 0.002°
• Cell volume: 876.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No