Information card for entry 4105767

Structure parameters

• Formula: C119 H82 Cl6 Cu4 I4 N12
• Calculated formula: C119 H82 Cl6 Cu4 I4 N12
• SMILES: [Cu]12345([Cu]6789([Cu]%10%111([Cu]26([I]37)([I]4%10)([I]9%11)[n]1cc(n2c3c(cccc3)c3c2cccc3)cc(n2c3c(c4c2cccc4)cccc3)c1)([I]58)[n]1cc(n2c3c(c4ccccc24)cccc3)cc(n2c3c(c4c2cccc4)cccc3)c1)[n]1cc(n2c3c(c4ccccc24)cccc3)cc(n2c3c(cccc3)c3c2cccc3)c1)[n]1cc(n2c3c(cccc3)c3ccccc23)cc(n2c3c(c4c2cccc4)cccc3)c1.C(Cl)Cl.C(Cl)Cl.ClCCl
• Title of publication: A Codeposition Route to CuI-Pyridine Coordination Complexes for Organic Light-Emitting Diodes
• Authors of publication: Zhiwei Liu; Munzarin F. Qayyum; Chao Wu; Matthew T. Whited; Peter I. Djurovich; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Mark E. Thompson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3700 - 3703
• a: 24.281 ± 0.003 Å
• b: 14.6355 ± 0.0014 Å
• c: 31.244 ± 0.004 Å
• α: 90°
• β: 101.259 ± 0.009°
• γ: 90°
• Cell volume: 10889 ± 2 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No