Information card for entry 7207702

Structure parameters

• Formula: C52 H40 Li4 N4 O4
• Calculated formula: C52 H40 Li4 N4 O4
• SMILES: [Li]123[O]45[Li]67[O]8([Li]4([O]2([Li]28[O]16c1c(cccc1)C=[N]2c1ccccc1)c1c(C=[N]3c2ccccc2)cccc1)[N](=Cc1c5cccc1)c1ccccc1)c1c(C=[N]7c2ccccc2)cccc1
• Title of publication: Novel lithium Schiff-base cluster complexes as electron injectors: synthesis, crystal structure, thin film characterisation and their performance in OLEDs
• Authors of publication: Kathirgamanathan, Poopathy; Surendrakumar, Sivagnanasundram; Antipan-Lara, Juan; Ravichandran, Seenivasagam; Chan, Y. F.; Arkley, Vincent; Ganeshamurugan, Subramanium; Kumaraverl, Muttulingham; Paramswara, Gnanamoly; Partheepan, Arumugam; Reddy, Vanga R.; Bailey, Daniel; Blake, Alexander J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 13
• Pages of publication: 6104
• a: 10.411 ± 0.0014 Å
• b: 17.316 ± 0.002 Å
• c: 24.493 ± 0.003 Å
• α: 90°
• β: 97.918 ± 0.002°
• γ: 90°
• Cell volume: 4373.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No