Information card for entry 7205557

Structure parameters

• Formula: C36 H24 N4 O4 Zr
• Calculated formula: C36 H24 N4 O4 Zr
• SMILES: [Zr]1234(Oc5c6[n]1cccc6ccc5)(Oc1c5[n]2cccc5ccc1)(Oc1c2[n]3cccc2ccc1)Oc1c2[n]4cccc2ccc1
• Title of publication: Discovery of two new phases of zirconium tetrakis(8-hydroxyquinolinolate): synthesis, crystal structure and their electron transporting characteristics in organic light emitting diodes (OLEDs)
• Authors of publication: Kathirgamanathan, Poopathy; Surendrakumar, Sivagnanasundram; Antipan-Lara, Juan; Ravichandran, Seenivasagam; Reddy, Vanga R.; Ganeshamurugan, Subramaniam; Kumaraverl, Muttulingam; Arkley, Vincent; Blake, Alexander J.; Bailey, Daniel
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1762
• a: 11.2179 ± 0.0007 Å
• b: 14.6724 ± 0.001 Å
• c: 17.2101 ± 0.0012 Å
• α: 90°
• β: 94.816 ± 0.002°
• γ: 90°
• Cell volume: 2822.7 ± 0.3 ų
• Cell temperature: 150 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: 0.0603
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No